data_r7ze7sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2022-12-07 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7ze7 
_cell.length_a      37.8704 
_cell.length_b      43.2366 
_cell.length_c      79.3521 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.898442 
# 
_entry.id   7ze7 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7ze7 
_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 119.07  3.58549 77.6237      6.54701  77.6237      6.54701  23.5659     180         158.934     5.5234e-05  
1 1 1 0  0  3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  4  o 200.046 2.92976 218.184      9.01634  218.184      9.01634  225.194     180         92.721      180         
1 1 1 0  0  5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  6  f 69.116  2.99183 26.3027      3.15661  26.3027      3.15661  140.521     180         0           0           
1 1 1 0  0  7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  8  o 84.4669 2.58116 39.0651      3.34301  39.0651      3.34301  17.8274     180         107.043     180         
1 1 1 0  0  9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  10 o 280.427 2.57865 428.419      11.1311  428.419      11.1311  196.336     360         131.808     180         
1 1 1 0  0  11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  12 f 166.919 2.58301 151.941      6.63213  151.941      6.63213  22.1637     180         0           0           
1 1 1 0  0  13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  14 o 230.827 2.59262 290.358      9.2102   290.358      9.2102   212.801     360         1.9111      180         
1 1 1 0  0  15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  16 o 356.972 2.62007 694.08       14.399   694.08       14.399   443.379     360         222.338     360         
1 1 1 0  0  17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  18 o 330.669 2.62447 595.579      13.3598  595.579      13.3598  231.511     360         151.344     180         
1 1 1 0  0  19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  20 f 548.589 2.69753 1638.9       22.7854  1638.9       22.7854  627.751     180         0           0           
1 1 1 0  0  21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  22 o 385.946 3.74999 811.629      22.2772  811.629      22.2772  432.152     180         150.638     180         
1 1 1 0  0  23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  24 o 25.1158 7.78833 4.93468      3.14349  4.93468      3.14349  57.2031     180         117.872     180         
1 1 1 0  0  25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  26 o 105.133 2.79522 60.4475      4.51071  60.4475      4.51071  10.0573     180         195.144     180         
1 1 1 0  0  27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  28 o 158.078 2.70903 136.338      6.58564  136.338      6.58564  169.983     180         58.8194     180         
1 1 1 0  0  29 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  30 o 18.1924 5.98017 2.63698      1.85816  2.63698      1.85816  9.00146     8.06922e-06 18.9809     8.06922e-06 
1 1 1 0  0  31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  32 o 174.535 2.73764 166.195      7.34963  166.195      7.34963  199.838     180         82.9212     180         
1 1 1 0  0  33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  34 o 138.923 2.81044 105.412      6.00115  105.412      6.00115  95.1455     180         61.5096     8.65068e-06 
1 1 1 0  0  35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  36 o 328.034 2.71693 586.559      13.72    586.559      13.72    334.544     180         76.9223     180         
1 1 1 0  0  37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  38 o 159.44  3.24043 138.948      7.94104  138.948      7.94104  221.144     0           156.149     0           
1 1 1 0  0  39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  40 o 129.597 2.91961 91.8787      5.8131   91.8787      5.8131   123.031     180         14.2149     180         
1 1 1 0  0  41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  42 o 107.826 4.08685 64.1644      6.74096  64.1644      6.74096  131.979     0           72.3174     0           
1 1 1 0  0  43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  44 o 85.5197 4.69965 40.9355      6.1007   40.9355      6.1007   95.0823     180         38.7157     180         
1 1 1 0  0  45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  46 o 22.1858 6.63007 3.87141      2.28804  3.87141      2.28804  0.383413    360         1.77376     180         
1 1 1 0  0  47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  48 o 15.0138 6.04578 1.67063      2.18227  1.67063      2.18227  0.210994    180         0.774834    180         
1 1 1 0  0  49 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  50 o 69.1932 3.45476 26.7827      3.6381   26.7827      3.6381   58.8479     360         2.83257     180         
1 1 1 0  0  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  52 o 16.4737 6.43584 2.20971      2.38083  2.20971      2.38083  0.0554628   180         0.978874    180         
1 1 1 0  0  53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  54 o 16.539  6.49078 2.27511      2.43429  2.27511      2.43429  2.10103     180         22.223      180         
1 1 1 0  0  55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  56 o 28.5316 7.03918 6.22185      2.79631  6.22185      2.79631  5.76657     0           4.1509      0           
1 1 1 0  0  57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  58 o 11.7138 5.45485 -0.0960679   2.51017  -0.0960679   2.51017  1.74693     8.65167e-06 10.0281     8.65166e-06 
1 1 1 0  0  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  60 o 10.6223 5.23841 -2.21839     3.10691  -2.21839     3.10691  4.0275      8.65145e-06 16.0168     8.65145e-06 
1 1 1 0  0  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  62 o 19.3895 7.21128 3.70598      2.85343  3.70598      2.85343  5.52131     0           7.32055     180         
1 1 1 0  0  63 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  0  64 o 40.2283 8.09206 12.8662      4.34235  12.8662      4.34235  42.604      180         18.7161     180         
1 1 1 0  0  65 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  1  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  1  1  o 178.759 3.57819 174.463      9.83181  174.463      9.83181  214.622     270         95.2383     270         
1 1 1 0  1  2  o 263.438 2.07318 378.027      8.4078   378.027      8.4078   207.552     89.9999     195.046     89.9999     
1 1 1 0  1  3  o 221.078 2.26408 266.306      7.70409  266.306      7.70409  147.964     90          118.583     270         
1 1 1 0  1  4  o 88.7801 1.79641 43.0216      2.45136  43.0216      2.45136  4.03112     270.002     0.243095    270.002     
1 1 1 0  1  5  o 150.056 1.7937  122.707      4.14203  122.707      4.14203  169.391     89.9999     65.2582     89.9999     
1 1 1 0  1  6  o 168.708 1.79747 155.08       4.66727  155.08       4.66727  188.041     90          62.1371     90          
1 1 1 0  1  7  o 83.3266 1.81593 37.9134      2.32508  37.9134      2.32508  20.5678     90          88.7204     270         
1 1 1 0  1  8  o 385.455 1.95808 809.127      11.621   809.127      11.621   460.303     90          199.072     90          
1 1 1 0  1  9  o 146.37  2.09205 116.804      4.71101  116.804      4.71101  98.2798     90          76.4175     270         
1 1 1 0  1  10 o 325.723 1.95316 577.846      9.79504  577.846      9.79504  211.829     90          185.414     270         
1 1 1 0  1  11 o 62.2293 1.87607 21.202       1.79031  21.202       1.79031  12.0855     90          76.4438     90          
1 1 1 0  1  12 o 82.0834 1.98847 36.8205      2.50672  36.8205      2.50672  20.7504     270         49.2169     90          
1 1 1 0  1  13 o 7.4461  3.09651 0.34444      0.601771 0.34444      0.601771 14.9562     270         30.0943     270         
1 1 1 0  1  14 o 193.92  1.82905 204.883      5.45963  204.883      5.45963  11.2534     90          339.074     270         
1 1 1 0  1  15 o 221.654 1.83589 267.636      6.2644   267.636      6.2644   318.37      270         244.603     270         
1 1 1 0  1  16 o 212.417 1.84041 245.795      6.01791  245.795      6.01791  159.801     90          75.7568     270         
1 1 1 0  1  17 o 41.8083 2.18683 9.67304      1.38978  9.67304      1.38978  102.27      270         254.88      270         
1 1 1 0  1  18 o 555.659 1.90195 1681.27      16.2733  1681.27      16.2733  487.355     270         57.4434     90          
1 1 1 0  1  19 o 672.872 1.94171 2465.36      20.1182  2465.36      20.1182  651.497     270         54.4841     270         
1 1 1 0  1  20 o 836.12  2.31334 3806.93      29.784   3806.93      29.784   769.512     90          10.6005     270         
1 1 1 0  1  21 o 341.748 2.15716 636.105      11.3501  636.105      11.3501  421.787     270         210.965     270         
1 1 1 0  1  22 o 341.008 2.15992 633.364      11.34    633.364      11.34    162.891     90          304.654     270         
1 1 1 0  1  23 o 74.2799 2.49914 30.2506      2.84378  30.2506      2.84378  0.314095    270         20.6778     270         
1 1 1 0  1  24 o 51.4149 3.17411 14.7255      2.46708  14.7255      2.46708  51.4484     90          145.345     90          
1 1 1 0  1  25 o 151.007 2.23358 124.349      5.18872  124.349      5.18872  136.219     90          2.21988     270         
1 1 1 0  1  26 o 224.38  1.88881 274.291      6.52414  274.291      6.52414  290.926     270         169.542     270         
1 1 1 0  1  27 o 152.351 1.9173  126.529      4.49486  126.529      4.49486  136.572     90          6.41013     270         
1 1 1 0  1  28 o 110.425 1.97168 66.5399      3.34785  66.5399      3.34785  116.228     270         35.5468     270         
1 1 1 0  1  29 o 137.017 1.93899 102.38       4.08742  102.38       4.08742  190.51      270         149.912     270         
1 1 1 0  1  30 o 50.6809 2.43531 14.1879      1.88012  14.1879      1.88012  16.8299     90          120.301     90          
1 1 1 0  1  31 o 29.2546 3.661   5.08227      1.49514  5.08227      1.49514  3.83815     90          11.5726     90          
1 1 1 0  1  32 o 84.1539 2.11083 38.73        2.72756  38.73        2.72756  77.0452     270         43.4938     270         
1 1 1 0  1  33 o 25.5757 4.31386 4.12207      1.47417  4.12207      1.47417  2.24144     270         6.24343     270         
1 1 1 0  1  34 o 105.896 2.04293 61.2381      3.32576  61.2381      3.32576  139.627     90          90.5494     90          
1 1 1 0  1  35 o 175.737 2.09667 168.436      5.67026  168.436      5.67026  145.196     270         27.4434     90          
1 1 1 0  1  36 o 203.964 1.9444  226.802      6.1045   226.802      6.1045   225.248     270         82.3867     270         
1 1 1 0  1  37 o 109.842 2.08916 65.9013      3.52792  65.9013      3.52792  61.904      270         74.0043     90          
1 1 1 0  1  38 o 21.7212 5.50116 3.4135       1.68098  3.4135       1.68098  0.751719    90          2.5743      90          
1 1 1 0  1  39 o 25.8391 4.97732 4.37686      1.71176  4.37686      1.71176  2.38805     90          34.637      90          
1 1 1 0  1  40 o 19.5138 5.9482  2.98954      1.8363   2.98954      1.8363   7.54008     90          25.9395     90          
1 1 1 0  1  41 o 247.943 2.47202 335.949      9.43406  335.949      9.43406  218.737     270         4.93213     90          
1 1 1 0  1  42 o 51.3723 3.02708 14.7446      2.35502  14.7446      2.35502  18.1662     90          55.0628     270         
1 1 1 0  1  43 o 153.615 2.33472 129.187      5.51705  129.187      5.51705  131.651     270         9.43353     90          
1 1 1 0  1  44 o 11.9722 5.29807 0.507769     2.01225  0.507769     2.01225  5.94559     89.9999     17.1352     89.9999     
1 1 1 0  1  45 o 70.0817 2.82809 27.2393      3.02909  27.2393      3.02909  76.5439     270         29.309      270         
1 1 1 0  1  46 o 172.62  1.99521 163.198      5.30037  163.198      5.30037  168.83      270         33.5991     270         
1 1 1 0  1  47 o 11.8146 4.88935 0.963522     1.48801  0.963522     1.48801  4.75699     270         18.7526     270         
1 1 1 0  1  48 o 23.4378 5.16905 3.84874      1.63547  3.84874      1.63547  16.5264     89.9999     5.13099     89.9999     
1 1 1 0  1  49 o 11.6774 4.88853 0.914835     1.5175   0.914835     1.5175   0.123851    270         2.48402     270         
1 1 1 0  1  50 o 36.9448 3.51291 8.00431      1.89707  8.00431      1.89707  31.2535     90          1.83275     270         
1 1 1 0  1  51 o 16.2606 5.64609 2.2809       1.68117  2.2809       1.68117  5.25537     270         13.4163     90          
1 1 1 0  1  52 o 43.6129 3.42169 11.049       2.22573  11.049       2.22573  55.0359     270         34.6759     270         
1 1 1 0  1  53 o 9.56855 4.47342 -0.21288     1.71453  -0.21288     1.71453  2.49529     270         9.02856     270         
1 1 1 0  1  54 o 47.2197 3.10863 12.8601      2.21282  12.8601      2.21282  58.9302     90          36.642      90          
1 1 1 0  1  55 o 44.4675 3.23699 11.5575      2.15808  11.5575      2.15808  48.8033     90          21.3615     90          
1 1 1 0  1  56 o 24.3993 6.17551 4.77386      2.11914  4.77386      2.11914  25.5305     270         10.2121     270         
1 1 1 0  1  57 o 10.6812 4.89656 0.31817      1.91054  0.31817      1.91054  0.188423    90          7.15433     270         
1 1 1 0  1  58 o 34.5609 4.99449 7.99658      2.35046  7.99658      2.35046  44.2837     270         30.0627     270         
1 1 1 0  1  59 o 15.0893 6.23464 2.32202      2.41313  2.32202      2.41313  10.3047     90          1.57523     90          
1 1 1 0  1  60 o 8.82475 4.37451 -1.57648     2.24798  -1.57648     2.24798  0.175585    270         3.11113     270         
1 1 1 0  1  61 o 11.0302 4.98849 0.733639     1.89779  0.733639     1.89779  0.186637    269.999     0.239637    89.9991     
1 1 1 0  1  62 o 11.3986 5.12324 0.899615     1.96469  0.899615     1.96469  0.501377    90          12.451      90          
1 1 1 0  1  63 o 29.0594 5.72966 6.49431      2.21818  6.49431      2.21818  30.4869     270         13.7181     270         
1 1 1 0  1  64 o 39.1781 4.29946 10.2754      2.40789  10.2754      2.40789  52.3841     270         39.8613     270         
1 1 1 0  1  65 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  2  0  o 702.121 3.81056 2685.03      41.194   2685.03      41.194   793.019     360         270.135     360         
1 1 1 0  2  1  o 215.857 2.06678 253.849      6.86706  253.849      6.86706  119.562     360         165.419     180         
1 1 1 0  2  2  o 32.7939 2.1562  6.00632      1.06601  6.00632      1.06601  46.7794     6.52714e-05 111.301     6.52714e-05 
1 1 1 0  2  3  o 130.995 2.53198 93.6515      5.09882  93.6515      5.09882  90.9631     180         61.35       180         
1 1 1 0  2  4  f 287.273 2.08023 449.502      9.20012  449.502      9.20012  241.408     180         0           0           
1 1 1 0  2  5  o 550.713 1.86205 1651.48      15.79    1651.48      15.79    619.14      180         206.909     180         
1 1 1 0  2  6  o 520.346 1.86034 1474.39      14.9056  1474.39      14.9056  533.197     180         92.2123     180         
1 1 1 0  2  7  o 31.2034 1.96863 5.42705      0.927787 5.42705      0.927787 102.233     5.90872e-05 232.637     5.90872e-05 
1 1 1 0  2  8  o 680.213 1.91251 2519.5       20.0319  2519.5       20.0319  723.916     2.83346e-07 175.405     2.83346e-07 
1 1 1 0  2  9  o 193.178 1.81299 203.305      5.39099  203.305      5.39099  151.483     360         58.1858     180         
1 1 1 0  2  10 o 101.177 1.82935 55.851       2.84594  55.851       2.84594  49.4209     180         72.4701     5.70453e-06 
1 1 1 0  2  11 o 32.005  2.13815 5.72611      1.03086  5.72611      1.03086  4.56909     180         10.4952     180         
1 1 1 0  2  12 f 367.575 1.97022 735.911      11.1505  735.911      11.1505  419.616     180         0           0           
1 1 1 0  2  13 o 282.537 2.11165 434.874      9.18495  434.874      9.18495  341.36      180         155.847     180         
1 1 1 0  2  14 o 199.165 1.95458 216.128      5.99194  216.128      5.99194  206.476     180         42.2966     180         
1 1 1 0  2  15 o 634.267 1.91723 2190.7       18.7249  2190.7       18.7249  607.485     3.11789e-06 34.1398     3.11789e-06 
1 1 1 0  2  16 o 291.113 1.84258 461.555      8.25846  461.555      8.25846  268.288     180         4.89905     1.02673e-05 
1 1 1 0  2  17 o 272.375 1.84645 404.057      7.7429   404.057      7.7429   192.234     180         121.658     360         
1 1 1 0  2  18 o 346.79  1.85814 654.934      9.92157  654.934      9.92157  354.509     1.42538e-06 65.2818     1.42538e-06 
1 1 1 0  2  19 o 297.658 2.14364 482.587      9.82329  482.587      9.82329  225.903     180         100.122     360         
1 1 1 0  2  20 o 969.611 2.3797  5119.59      35.5302  5119.59      35.5302  869.066     180         57.678      7.82591e-06 
1 1 1 0  2  21 o 140.742 1.91605 107.977      4.14914  107.977      4.14914  0.155212    6.66568e-06 259.943     180         
1 1 1 0  2  22 o 180.672 2.68626 178.001      7.46613  178.001      7.46613  171.395     180         10.4786     180         
1 1 1 0  2  23 o 233.803 2.66466 297.934      9.588    297.934      9.588    236.387     180         41.5477     180         
1 1 1 0  2  24 o 157.163 1.92118 134.622      4.64637  134.622      4.64637  162.901     360         50.7956     360         
1 1 1 0  2  25 o 281.34  2.17883 431.217      9.43684  431.217      9.43684  292.862     180         68.1186     180         
1 1 1 0  2  26 o 233.722 2.18787 297.666      7.87118  297.666      7.87118  260.327     360         91.3066     360         
1 1 1 0  2  27 o 248.17  1.88728 335.532      7.21047  335.532      7.21047  218.727     360         17.7209     180         
1 1 1 0  2  28 o 158.388 1.92251 136.756      4.68587  136.756      4.68587  156.053     2.38963e-07 22.0919     2.38963e-07 
1 1 1 0  2  29 o 181.517 1.91362 179.583      5.34621  179.583      5.34621  219.525     5.456e-06   107.233     5.456e-06   
1 1 1 0  2  30 o 274.532 1.89283 410.648      8.00022  410.648      8.00022  292.335     180         83.6895     180         
1 1 1 0  2  31 o 69.251  2.17681 26.2828      2.31086  26.2828      2.31086  3.72523     180         1.68793     180         
1 1 1 0  2  32 o 233.877 1.9074  298.099      6.86734  298.099      6.86734  288.43      180         151.634     180         
1 1 1 0  2  33 o 35.3361 3.13684 7.12415      1.63405  7.12415      1.63405  23.68       180         95.3257     180         
1 1 1 0  2  34 o 129.853 1.99384 92.0021      3.98263  92.0021      3.98263  142.919     180         50.6727     180         
1 1 1 0  2  35 o 83.9462 2.16669 38.5561      2.79236  38.5561      2.79236  102.162     360         58.4974     360         
1 1 1 0  2  36 o 239.173 1.93275 311.82       7.11626  311.82       7.11626  211.681     8.58319e-11 8.00061     180         
1 1 1 0  2  37 o 139.805 2.01954 106.655      4.34365  106.655      4.34365  146.055     180         40.5088     180         
1 1 1 0  2  38 o 110.736 2.22406 67.0181      3.78556  67.0181      3.78556  115.568     180         32.2924     180         
1 1 1 0  2  39 o 34.3979 3.73381 6.90827      1.83942  6.90827      1.83942  15.8751     180         12.0598     360         
1 1 1 0  2  40 o 193.84  2.24882 205.177      6.70849  205.177      6.70849  179.693     0           12.9201     0           
1 1 1 0  2  41 o 141.667 2.03294 109.639      4.43079  109.639      4.43079  151.245     360         49.8826     360         
1 1 1 0  2  42 o 30.9317 6.04253 6.35596      2.48893  6.35596      2.48893  0.189059    360         0.0244919   180         
1 1 1 0  2  43 o 64.6501 3.41318 23.3365      3.3534   23.3365      3.3534   75.8281     180         37.1035     180         
1 1 1 0  2  44 o 78.8946 2.27827 34.2251      2.75733  34.2251      2.75733  55.3676     360         28.8821     180         
1 1 1 0  2  45 o 91.3138 2.58811 45.9641      3.62592  45.9641      3.62592  70.6933     180         19.783      8.65138e-06 
1 1 1 0  2  46 o 27.9401 4.98269 5.0844       1.85389  5.0844       1.85389  25.2906     180         8.32812     180         
1 1 1 0  2  47 o 22.5231 5.31017 3.64253      1.64049  3.64253      1.64049  12.2657     180         11.6064     360         
1 1 1 0  2  48 o 24.7608 5.06349 4.18246      1.67474  4.18246      1.67474  12.3849     180         6.66071     180         
1 1 1 0  2  49 o 11.7205 4.90716 0.923186     1.52942  0.923186     1.52942  0.00997144  180         0.801302    180         
1 1 1 0  2  50 o 96.6145 2.20642 51.5249      3.27486  51.5249      3.27486  86.2272     360         4.3127      360         
1 1 1 0  2  51 o 10.5956 4.6962  0.461843     1.58757  0.461843     1.58757  0.636738    180         3.9905      180         
1 1 1 0  2  52 o 51.126  2.90316 14.8292      2.25065  14.8292      2.25065  64.7494     0           41.0661     0           
1 1 1 0  2  53 o 28.3868 4.84437 5.32097      1.83578  5.32097      1.83578  27.7369     180         7.51667     180         
1 1 1 0  2  54 o 38.6624 3.6332  8.91755      2.05646  8.91755      2.05646  34.3667     180         2.2735      180         
1 1 1 0  2  55 o 49.2824 3.05651 14.0378      2.27672  14.0378      2.27672  34.4752     180         15.4931     8.66927e-06 
1 1 1 0  2  56 o 20.5443 6.35073 3.77545      2.09054  3.77545      2.09054  16.8646     180         0.335865    8.63934e-06 
1 1 1 0  2  57 o 10.3492 4.71071 0.356136     1.72698  0.356136     1.72698  0.379587    180         8.32979     180         
1 1 1 0  2  58 o 15.7685 6.4879  2.52853      2.59533  2.52853      2.59533  7.9488      4.71903e-11 9.05356     180         
1 1 1 0  2  59 o 9.017   4.41724 -1.12328     2.11405  -1.12328     2.11405  0.305671    7.60051e-05 2.43009     180         
1 1 1 0  2  60 o 8.87233 4.32737 -0.895068    1.97459  -0.895068    1.97459  2.63858     8.65146e-06 15.3743     8.65146e-06 
1 1 1 0  2  61 o 13.0018 5.62499 1.5802       2.14688  1.5802       2.14688  3.46635     180         0.656487    360         
1 1 1 0  2  62 o 28.5949 5.70171 6.25476      2.17351  6.25476      2.17351  32.4109     180         21.2632     180         
1 1 1 0  2  63 o 32.4115 5.55753 7.7589       2.40383  7.7589       2.40383  37.9872     360         23.2448     360         
1 1 1 0  2  64 o 10.9066 5.02583 0.754889     2.04935  0.754889     2.04935  0.905547    180         10.7678     9.29938e-06 
1 1 1 0  2  65 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  3  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  3  1  o 106.397 2.06184 61.7792      3.37239  61.7792      3.37239  82.8942     270         11.8286     270         
1 1 1 0  3  2  o 196.848 2.06327 211.132      6.25118  211.132      6.25118  74.6747     90          219.119     270         
1 1 1 0  3  3  o 260.509 2.07639 369.671      8.32715  369.671      8.32715  294.369     90          101.181     90          
1 1 1 0  3  4  o 107     1.79802 62.444       2.95878  62.444       2.95878  37.2215     90          121.33      270         
1 1 1 0  3  5  o 146.245 1.79821 116.558      4.04682  116.558      4.04682  98.5694     90          75.7333     270         
1 1 1 0  3  6  o 601.191 1.88338 1968.11      17.4349  1968.11      17.4349  596.609     270         68.9528     270         
1 1 1 0  3  7  o 700.139 2.21773 2669.44      23.9091  2669.44      23.9091  823.583     270         338.365     270         
1 1 1 0  3  8  o 454.039 2.1338  1122.72      14.9174  1122.72      14.9174  533.626     270         218.873     270         
1 1 1 0  3  9  o 644.591 1.90592 2262.63      18.9174  2262.63      18.9174  625.331     270         46.842      270         
1 1 1 0  3  10 f 418.985 1.84705 956.048      11.9159  956.048      11.9159  370.142     270         0           0           
1 1 1 0  3  11 o 63.0418 1.88037 21.7575      1.81801  21.7575      1.81801  14.0191     90          84.7964     90          
1 1 1 0  3  12 o 108.037 1.844   63.6717      3.06374  63.6717      3.06374  71.8754     270         24.7117     90          
1 1 1 0  3  13 o 365.309 1.84415 726.806      10.3728  726.806      10.3728  327.366     90          25.7333     270         
1 1 1 0  3  14 f 388.864 1.85138 823.511      11.085   823.511      11.085   407.53      270         0           0           
1 1 1 0  3  15 o 469.358 1.87286 1199.64      13.5353  1199.64      13.5353  498.948     270         125.069     270         
1 1 1 0  3  16 o 298.821 1.84388 486.309      8.48317  486.309      8.48317  248.908     270         57.3665     90          
1 1 1 0  3  17 o 169.928 2.13642 157.379      5.58641  157.379      5.58641  157.507     270         0.392853    270         
1 1 1 0  3  18 o 438.247 2.00248 1045.9       13.5125  1045.9       13.5125  421.465     270         30.3451     270         
1 1 1 0  3  19 o 51.1275 2.54835 14.4454      1.98301  14.4454      1.98301  16.2115     90.0001     62.1431     90.0001     
1 1 1 0  3  20 f 209.203 1.87138 238.418      6.02648  238.418      6.02648  200.956     90          0           0           
1 1 1 0  3  21 o 225.086 2.16877 276.031      7.51399  276.031      7.51399  206.857     270         2.16791     90          
1 1 1 0  3  22 o 781.541 2.3007  3326.31      27.6875  3326.31      27.6875  689.526     90          63.2024     270         
1 1 1 0  3  23 o 40.2739 3.15678 9.15531      1.89634  9.15531      1.89634  41.1927     89.9999     97.8435     89.9999     
1 1 1 0  3  24 o 258.756 2.16843 364.773      8.63751  364.773      8.63751  181.693     90          112.822     270         
1 1 1 0  3  25 o 148.29  1.9271  119.872      4.39721  119.872      4.39721  87.1199     270         98.002      90          
1 1 1 0  3  26 o 427.038 2.1966  993.38       14.4429  993.38       14.4429  413.565     270         43.5464     270         
1 1 1 0  3  27 o 17.8093 5.13639 2.41403      1.38442  2.41403      1.38442  16.1493     90          34.6813     90          
1 1 1 0  3  28 o 473.818 1.90977 1222.9       13.9332  1222.9       13.9332  440.702     270         14.7609     270         
1 1 1 0  3  29 o 18.3504 5.20945 2.54782      1.43085  2.54782      1.43085  1.02344     90.0014     2.29184     90.0014     
1 1 1 0  3  30 o 95.5099 2.03966 49.829       2.99363  49.829       2.99363  13.5262     90          201.143     90          
1 1 1 0  3  31 o 36.58   2.93234 7.57094      1.59707  7.57094      1.59707  4.90673     90.0001     26.2775     90.0001     
1 1 1 0  3  32 o 38.8826 3.04318 8.54165      1.76515  8.54165      1.76515  0.811297    90.0002     10.2566     90.0002     
1 1 1 0  3  33 o 8.80825 4.02977 -0.0494188   1.28515  -0.0494188   1.28515  7.88884     270         16.2492     270         
1 1 1 0  3  34 o 60.2163 2.39984 19.951       2.209    19.951       2.209    12.8841     89.9999     7.24049     89.9999     
1 1 1 0  3  35 o 221.73  1.93455 267.997      6.60308  267.997      6.60308  188.973     90          22.3462     270         
1 1 1 0  3  36 o 64.3499 2.40767 22.763       2.37045  22.763       2.37045  44.8779     270         24.2602     90          
1 1 1 0  3  37 o 94.1494 2.17157 48.4721      3.14074  48.4721      3.14074  80.1271     90          8.97762     270         
1 1 1 0  3  38 o 151.481 2.15119 125.257      5.01339  125.257      5.01339  123.469     90          24.7643     270         
1 1 1 0  3  39 o 156.294 2.30104 133.424      5.53261  133.424      5.53261  142.71      270         5.72534     270         
1 1 1 0  3  40 o 13.4454 5.22967 1.38595      1.5644   1.38595      1.5644   3.912       90          9.41278     90          
1 1 1 0  3  41 o 66.5815 2.60046 24.4442      2.64748  24.4442      2.64748  61.918      270         5.41342     270         
1 1 1 0  3  42 o 54.4571 3.13902 16.5671      2.59075  16.5671      2.59075  64.2827     90          42.0041     90          
1 1 1 0  3  43 o 64.8278 2.71213 23.2549      2.68556  23.2549      2.68556  40.0665     270         34.7569     90          
1 1 1 0  3  44 o 25.6497 5.01458 4.37688      1.71286  4.37688      1.71286  7.21765     90.0001     2.1075      90.0001     
1 1 1 0  3  45 o 29.7979 4.66289 5.58193      1.87087  5.58193      1.87087  20.6787     270         10.3641     90          
1 1 1 0  3  46 o 81.388  2.66674 36.6416      3.32579  36.6416      3.32579  73.8313     270         4.56113     270         
1 1 1 0  3  47 o 44.4228 2.94177 11.1639      1.96945  11.1639      1.96945  28.8192     270         20.2535     90          
1 1 1 0  3  48 o 63.7337 2.48735 22.5482      2.42404  22.5482      2.42404  81.1054     90          50.7731     90          
1 1 1 0  3  49 o 28.5411 4.54198 5.18773      1.742    5.18773      1.742    24.8892     90          0.216957    90          
1 1 1 0  3  50 o 49.5542 2.84946 13.8734      2.14022  13.8734      2.14022  39.4204     270         7.30251     90          
1 1 1 0  3  51 o 30.9663 4.43243 6.02821      1.87182  6.02821      1.87182  26.1576     90          1.25591     270         
1 1 1 0  3  52 o 11.8376 5.05401 0.909968     1.68455  0.909968     1.68455  6.02854     90          27.6416     90          
1 1 1 0  3  53 o 15.687  5.67059 2.17971      1.73014  2.17971      1.73014  0.610461    270         0.301687    90.0001     
1 1 1 0  3  54 o 78.7873 2.42837 34.7377      2.93342  34.7377      2.93342  57.919      270         19.4448     90          
1 1 1 0  3  55 o 9.86817 4.60602 -0.0818293   1.806    -0.0818293   1.806    0.0322937   90.0006     1.09158     90.0006     
1 1 1 0  3  56 o 9.77446 4.53683 0.0277836    1.71476  0.0277836    1.71476  3.97425     90.0001     21.2287     90.0001     
1 1 1 0  3  57 o 12.9591 5.56018 1.3488       2.06     1.3488       2.06     2.28461     270         2.91663     90.0001     
1 1 1 0  3  58 o 36.3956 5.45036 9.10538      2.68676  9.10538      2.68676  37.6558     270         13.6429     270         
1 1 1 0  3  59 o 22.7498 6.467   4.64748      2.20409  4.64748      2.20409  13.817      90          10.7484     270         
1 1 1 0  3  60 o 26.4039 5.83809 5.47116      2.08193  5.47116      2.08193  19.2261     270         5.9623      90          
1 1 1 0  3  61 o 25.9904 7.18012 6.38566      2.7446   6.38566      2.7446   29.7067     89.9999     20.8921     89.9999     
1 1 1 0  3  62 o 10.5934 4.99935 0.142947     2.22704  0.142947     2.22704  2.47535     270         14.3821     270         
1 1 1 0  3  63 o 19.7876 6.70266 4.22929      2.34952  4.22929      2.34952  12.3782     90          5.78304     270         
1 1 1 0  3  64 o 10.8984 5.01684 0.765238     2.03454  0.765238     2.03454  0.594942    270         0.900417    90.0002     
1 1 1 0  4  0  o 225.567 2.53674 277.25       8.80633  277.25       8.80633  53.7431     180         529.093     180         
1 1 1 0  4  1  f 155.944 1.78799 132.516      4.29107  132.516      4.29107  108.227     360         0           0           
1 1 1 0  4  2  o 17.1468 2.25177 1.75695      0.534326 1.75695      0.534326 64.0035     180         132.886     180         
1 1 1 0  4  3  o 405.25  2.10812 894.388      13.1539  894.388      13.1539  499.113     180         240.977     180         
1 1 1 0  4  4  o 556.386 1.86511 1685.7       15.979   1685.7       15.979   640.324     180         241.202     180         
1 1 1 0  4  5  o 107.206 1.8056  62.6866      2.97697  62.6866      2.97697  24.5305     5.79241e-06 147.421     180         
1 1 1 0  4  6  o 298.253 1.81452 484.471      8.33225  484.471      8.33225  274.805     360         7.25842     180         
1 1 1 0  4  7  o 207.332 1.80546 234.175      5.76232  234.175      5.76232  188.415     360         10.1022     180         
1 1 1 0  4  8  o 15.5679 3.27034 1.62545      0.682069 1.62545      0.682069 89.5439     180         184.224     180         
1 1 1 0  4  9  o 375.864 1.8346  769.411      10.6173  769.411      10.6173  387.142     180         73.4425     180         
1 1 1 0  4  10 o 212.93  1.82222 247.004      5.97288  247.004      5.97288  212.549     360         28.367      360         
1 1 1 0  4  11 o 115.344 2.11515 72.6001      3.75116  72.6001      3.75116  76.1702     360         47.0369     180         
1 1 1 0  4  12 o 353.579 2.3301  681.036      12.6843  681.036      12.6843  259.834     360         138.392     180         
1 1 1 0  4  13 o 337.534 1.83958 620.481      9.5602   620.481      9.5602   239.144     360         149.443     180         
1 1 1 0  4  14 o 195.887 1.95885 209.066      5.90611  209.066      5.90611  183.224     180         2.67212     180         
1 1 1 0  4  15 o 176.982 1.84424 170.662      5.02371  170.662      5.02371  194.071     180         62.1434     180         
1 1 1 0  4  16 o 576.808 1.90341 1811.68      16.9056  1811.68      16.9056  542.097     1.93004e-06 14.2332     1.93004e-06 
1 1 1 0  4  17 o 528.107 1.89224 1518.69      15.3873  1518.69      15.3873  523.266     180         67.8668     180         
1 1 1 0  4  18 o 254.633 2.13706 353.197      8.37691  353.197      8.37691  142.7       1.9818e-06  185.984     180         
1 1 1 0  4  19 o 351.826 2.15195 674.159      11.6567  674.159      11.6567  377.58      180         104.561     180         
1 1 1 0  4  20 o 127.001 1.93297 87.9463      3.7763   87.9463      3.7763   25.6903     180         182.236     7.89149e-06 
1 1 1 0  4  21 o 81.8718 2.62332 36.7272      3.2918   36.7272      3.2918   10.6719     360         145.706     360         
1 1 1 0  4  22 o 53.2635 2.77555 15.7008      2.24746  15.7008      2.24746  39.527      1.05246e-05 115.295     1.05246e-05 
1 1 1 0  4  23 o 29.7425 3.51851 5.20479      1.47603  5.20479      1.47603  71.7299     180         157.206     180         
1 1 1 0  4  24 o 55.1067 2.68399 16.7744      2.25235  16.7744      2.25235  0.312375    8.08188e-05 1.30247     8.08188e-05 
1 1 1 0  4  25 o 92.743  2.03029 46.9768      2.89324  46.9768      2.89324  58.8607     180         0.87101     180         
1 1 1 0  4  26 o 86.4613 2.20711 40.8755      2.92986  40.8755      2.92986  59.2184     180         15.9001     180         
1 1 1 0  4  27 o 114.478 2.5317  71.6057      4.45309  71.6057      4.45309  106.889     3.88325e-06 6.12048     3.88325e-06 
1 1 1 0  4  28 o 89.0159 2.04377 43.2977      2.79479  43.2977      2.79479  70.309      180         18.1101     8.77665e-06 
1 1 1 0  4  29 o 123.956 1.9577  83.8204      3.73262  83.8204      3.73262  100.826     1.57775e-06 24.3104     180         
1 1 1 0  4  30 o 146.021 1.93738 116.273      4.35286  116.273      4.35286  160.573     0           55.4268     0           
1 1 1 0  4  31 o 123.539 1.96346 83.2699      3.73098  83.2699      3.73098  110.309     180         3.75616     8.67433e-06 
1 1 1 0  4  32 o 184.055 1.91947 184.674      5.43756  184.674      5.43756  175.563     180         17.3943     180         
1 1 1 0  4  33 o 46.3286 2.66228 11.9306      1.8695   11.9306      1.8695   3.01539     180         68.9984     360         
1 1 1 0  4  34 o 305.266 1.91572 507.841      9.00376  507.841      9.00376  333.054     180         114.753     180         
1 1 1 0  4  35 o 126.861 2.02504 87.8307      3.95141  87.8307      3.95141  74.1085     2.63056e-06 80.445      180         
1 1 1 0  4  36 o 47.7021 2.79312 12.664       2.01821  12.664       2.01821  25.2652     7.2601e-10  19.9462     180         
1 1 1 0  4  37 o 81.8842 2.23819 36.7167      2.81261  36.7167      2.81261  68.6608     180         9.56999     360         
1 1 1 0  4  38 o 35.0112 4.24584 7.26661      2.08719  7.26661      2.08719  13.7217     180         8.23832     8.65253e-06 
1 1 1 0  4  39 o 39.3445 3.85497 8.94386      2.20775  8.94386      2.20775  25.5564     360         6.31351     180         
1 1 1 0  4  40 o 99.7092 2.15249 54.3976      3.29798  54.3976      3.29798  93.8544     360         9.974       360         
1 1 1 0  4  41 o 7.9888  3.93315 -1.58067     1.73178  -1.58067     1.73178  18.3891     180         39.1436     180         
1 1 1 0  4  42 o 70.4782 2.33945 27.3242      2.52618  27.3242      2.52618  55.1716     360         14.6765     180         
1 1 1 0  4  43 o 89.0436 2.17446 43.4968      2.97349  43.4968      2.97349  103.616     180         49.6768     180         
1 1 1 0  4  44 o 16.232  5.57141 2.17346      1.63005  2.17346      1.63005  1.9785      8.65165e-06 23.0889     8.65164e-06 
1 1 1 0  4  45 o 57.6796 2.57278 18.4729      2.26405  18.4729      2.26405  53.3822     2.58465e-06 5.23566     2.58466e-06 
1 1 1 0  4  46 o 31.1863 5.13305 6.2287       2.14353  6.2287       2.14353  18.9277     180         16.6626     8.65154e-06 
1 1 1 0  4  47 o 97.1236 2.35868 51.9948      3.51819  51.9948      3.51819  87.093      180         4.15671     180         
1 1 1 0  4  48 o 16.5486 5.50137 2.28324      1.57568  2.28324      1.57568  0.620722    180         24.4371     8.65152e-06 
1 1 1 0  4  49 o 53.6528 2.73433 16.1449      2.23158  16.1449      2.23158  51.848      180         10.3019     180         
1 1 1 0  4  50 o 20.4638 5.61152 3.26883      1.68137  3.26883      1.68137  9.57723     360         15.6484     180         
1 1 1 0  4  51 o 35.3662 3.75675 7.48015      1.90978  7.48015      1.90978  33.4129     180         5.66443     180         
1 1 1 0  4  52 f 38.3276 3.57541 8.66943      2.00814  8.66943      2.00814  31.1567     5.65477e-10 0           0           
1 1 1 0  4  53 f 68.4557 2.5519  26.2683      2.67289  26.2683      2.67289  47.7935     2.59948e-06 0           0           
1 1 1 0  4  54 o 27.3167 5.18387 5.16557      1.88414  5.16557      1.88414  23.3184     360         0.0391121   360         
1 1 1 0  4  55 o 50.7579 3.43132 15.1213      2.62212  15.1213      2.62212  47.3308     180         7.92566     180         
1 1 1 0  4  56 o 10.9695 4.89127 0.617602     1.75055  0.617602     1.75055  0.937291    0           3.30586     180         
1 1 1 0  4  57 o 12.6525 5.57902 1.13218      2.21061  1.13218      2.21061  2.11519     4.39012e-05 2.69479     180         
1 1 1 0  4  58 o 11.1993 5.10619 0.556806     2.04017  0.556806     2.04017  1.75124     8.65131e-06 21.1888     8.65131e-06 
1 1 1 0  4  59 o 43.1924 3.98883 11.6506      2.52793  11.6506      2.52793  50.9354     360         29.0537     360         
1 1 1 0  4  60 o 15.3411 6.25668 2.52999      2.38072  2.52999      2.38072  9.4601      180         0.0342445   180         
1 1 1 0  4  61 o 16.2095 6.25355 2.88257      2.21767  2.88257      2.21767  9.8914      360         4.38087     180         
1 1 1 0  4  62 o 15.9756 6.4746  2.92647      2.52578  2.92647      2.52578  4.78825     180         2.81346     8.65133e-06 
1 1 1 0  4  63 o 6.20049 3.20242 -3.78826     1.86132  -3.78826     1.86132  6.17191     360         15.5934     360         
1 1 1 0  4  64 f 12.1095 5.50864 1.2925       2.35703  1.2925       2.35703  5.81423     180         0           0           
1 1 1 0  5  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  5  1  o 194.749 1.79481 206.619      5.38041  206.619      5.38041  248.878     90          137.672     90          
1 1 1 0  5  2  o 33.4002 1.92425 6.19452      0.974085 6.19452      0.974085 2.73804     270         6.4379      270         
1 1 1 0  5  3  o 81.9672 1.80063 36.6892      2.26779  36.6892      2.26779  9.58055     90.0001     8.15001     270         
1 1 1 0  5  4  o 226.371 1.80251 279.136      6.28154  279.136      6.28154  247.821     270         73.6435     270         
1 1 1 0  5  5  o 531.49  1.99025 1538.35      16.2879  1538.35      16.2879  478.978     90          32.6945     270         
1 1 1 0  5  6  o 297.833 1.81516 483.128      8.32345  483.128      8.32345  340.456     270         125.96      270         
1 1 1 0  5  7  o 124.3   1.81594 84.2428      3.47252  84.2428      3.47252  46.7838     270         135.934     90          
1 1 1 0  5  8  o 365.308 1.83132 726.812      10.3006  726.812      10.3006  260.886     270         158.342     90          
1 1 1 0  5  9  o 28.4915 2.23408 4.58157      0.949403 4.58157      0.949403 11.2449     270         24.8879     270         
1 1 1 0  5  10 o 193.985 1.81805 205.023      5.42867  205.023      5.42867  236.136     90          114.718     90          
1 1 1 0  5  11 o 331.849 1.83654 599.774      9.38362  599.774      9.38362  252.242     90          112.296     270         
1 1 1 0  5  12 o 7.04135 3.03172 0.236381     0.617066 0.236381     0.617066 17.0441     270         34.2648     270         
1 1 1 0  5  13 o 274.02  1.8326  408.961      7.73128  408.961      7.73128  211.586     270         85.4011     90          
1 1 1 0  5  14 o 23.1205 3.00449 3.18917      0.96313  3.18917      0.96313  23.6982     270         50.5415     270         
1 1 1 0  5  15 o 187.258 1.97307 191.058      5.68664  191.058      5.68664  209.171     90          72.6348     90          
1 1 1 0  5  16 o 398.458 2.14611 864.657      13.1664  864.657      13.1664  392.255     270         46.8873     270         
1 1 1 0  5  17 o 408.658 2.35567 909.547      14.8217  909.547      14.8217  409.609     90          63.4507     90          
1 1 1 0  5  18 o 97.932  2.22662 52.3849      3.34998  52.3849      3.34998  27.6392     270         117.886     90          
1 1 1 0  5  19 o 179.588 1.88041 175.727      5.19762  175.727      5.19762  178.155     90          142.53      90          
1 1 1 0  5  20 o 490.142 2.19033 1308.33      16.5303  1308.33      16.5303  633.673     270         363.863     270         
1 1 1 0  5  21 o 32.2569 3.85869 6.13152      1.75203  6.13152      1.75203  51.0285     270         113.729     270         
1 1 1 0  5  22 o 199.598 1.89532 217.053      5.82307  217.053      5.82307  251.828     90          153.556     90          
1 1 1 0  5  23 o 268.55  1.87654 392.835      7.75848  392.835      7.75848  391.442     90          345.457     90          
1 1 1 0  5  24 o 65.0488 2.51407 23.2526      2.50098  23.2526      2.50098  1.01499     90          51.8526     270         
1 1 1 0  5  25 o 201.571 2.66425 221.567      8.26323  221.567      8.26323  153.692     270         61.7046     90          
1 1 1 0  5  26 o 128.452 2.07963 90.0097      4.10868  90.0097      4.10868  8.74875     90          217.35      270         
1 1 1 0  5  27 f 53.3597 2.77704 15.765       2.2528   15.765       2.2528   14.8546     90          0           0           
1 1 1 0  5  28 o 52.7511 2.79547 15.4183      2.24077  15.4183      2.24077  5.4118      90          70.8171     270         
1 1 1 0  5  29 o 80.8783 2.07412 35.7748      2.57546  35.7748      2.57546  73.8114     90          11.0274     90          
1 1 1 0  5  30 f 126.374 1.97224 87.1279      3.83379  87.1279      3.83379  82.1578     90          0           0           
1 1 1 0  5  31 o 290.215 1.90167 458.949      8.4969   458.949      8.4969   270.267     270         14.3991     270         
1 1 1 0  5  32 f 77.4181 2.16708 32.8121      2.57428  32.8121      2.57428  63.2327     90          0           0           
1 1 1 0  5  33 o 271.6   2.05073 402.078      8.57464  402.078      8.57464  317.971     90          145.42      90          
1 1 1 0  5  34 o 60.523  2.43319 20.1595      2.2508   20.1595      2.2508   51.7393     90          21.4697     90          
1 1 1 0  5  35 o 62.6708 2.42833 21.6032      2.32729  21.6032      2.32729  55.4828     270         26.7299     270         
1 1 1 0  5  36 o 63.2846 2.44847 22.0321      2.36963  22.0321      2.36963  61.837      90          25.3006     90          
1 1 1 0  5  37 o 155.442 2.29063 131.918      5.47759  131.918      5.47759  136.34      90          5.73648     270         
1 1 1 0  5  38 o 59.7787 2.87898 19.7797      2.6215   19.7797      2.6215   67.1027     270         45.8796     270         
1 1 1 0  5  39 o 82.991  2.23766 37.74        2.85021  37.74        2.85021  101.375     90          55.0286     90          
1 1 1 0  5  40 o 16.5451 5.92024 2.22841      1.87478  2.22841      1.87478  28.3851     270         73.9726     270         
1 1 1 0  5  41 o 52.6217 3.15765 15.4888      2.51467  15.4888      2.51467  56.8354     270         24.7567     270         
1 1 1 0  5  42 o 114.123 2.19538 71.3225      3.85164  71.3225      3.85164  99.7768     270         2.4756      90          
1 1 1 0  5  43 o 32.6353 4.15241 6.40754      1.88609  6.40754      1.88609  8.42507     270         5.00135     270         
1 1 1 0  5  44 o 120.406 2.34692 79.594       4.34398  79.594       4.34398  114.12      270         16.1723     270         
1 1 1 0  5  45 o 24.4386 5.5183  4.20694      1.8294   4.20694      1.8294   17.1223     270         2.09993     90          
1 1 1 0  5  46 o 55.1349 2.83921 17.005       2.38054  17.005       2.38054  49.8428     270         3.09444     270         
1 1 1 0  5  47 o 50.0655 3.43809 14.2821      2.58935  14.2821      2.58935  54.4307     270         21.3973     270         
1 1 1 0  5  48 o 32.5553 4.39397 6.52506      1.97006  6.52506      1.97006  36.1321     90          16.3336     90          
1 1 1 0  5  49 o 28.3334 4.67698 5.17346      1.77392  5.17346      1.77392  17.6613     90          13.8887     270         
1 1 1 0  5  50 o 130.615 2.10802 94.0391      4.23494  94.0391      4.23494  153.594     270         80.9528     270         
1 1 1 0  5  51 o 43.0099 3.16498 10.6584      2.0395   10.6584      2.0395   53.694      90          33.2116     90          
1 1 1 0  5  52 o 40.7076 3.37739 9.6683       2.04087  9.6683       2.04087  54.542      89.9999     45.292      89.9999     
1 1 1 0  5  53 o 52.1612 2.90842 15.5095      2.30174  15.5095      2.30174  56.3812     90          23.2386     90          
1 1 1 0  5  54 o 59.8422 3.14126 20.5864      2.85718  20.5864      2.85718  69.167      270         35.9525     270         
1 1 1 0  5  55 o 9.04389 4.28783 -0.360343    1.67212  -0.360343    1.67212  0.148116    270         2.60322     270         
1 1 1 0  5  56 o 14.787  6.12024 2.01481      2.33204  2.01481      2.33204  4.31105     270         0.220984    90.0001     
1 1 1 0  5  57 o 27.5792 6.0508  5.83017      2.25055  5.83017      2.25055  22.9091     270         0.8526      90          
1 1 1 0  5  58 o 20.2915 6.81444 4.13582      2.42306  4.13582      2.42306  20.7682     270         10.1739     270         
1 1 1 0  5  59 o 12.1419 5.24213 1.22443      1.85599  1.22443      1.85599  0.711021    270         17.2883     90          
1 1 1 0  5  60 o 10.213  4.8112  0.0552849    2.04673  0.0552849    2.04673  0.16926     270         11.3296     90.0001     
1 1 1 0  5  61 o 7.62859 3.8441  -2.1755      1.98936  -2.1755      1.98936  1.90268     270         6.58661     270         
1 1 1 0  5  62 o 8.99357 4.42801 -1.15422     2.19559  -1.15422     2.19559  4.77301     270         15.2914     270         
1 1 1 0  5  63 o 19.8563 6.70409 4.36855      2.34843  4.36855      2.34843  15.7445     90          3.10018     90          
1 1 1 0  5  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  6  0  o 381.614 2.9764  793.332      17.4858  793.332      17.4858  315.938     360         78.1755     180         
1 1 1 0  6  1  o 217.527 1.79915 257.767      6.02473  257.767      6.02473  202.165     180         0.382355    1.32079e-05 
1 1 1 0  6  2  o 416.413 1.83175 944.335      11.7447  944.335      11.7447  412.752     360         50.7944     360         
1 1 1 0  6  3  o 3.6352  1.71056 -0.0800451   0.257474 -0.0800451   0.257474 37.4893     180         75.0892     180         
1 1 1 0  6  4  f 167.179 1.80593 152.3        4.6467   152.3        4.6467   135.975     360         0           0           
1 1 1 0  6  5  f 83.0019 1.82715 37.6247      2.33022  37.6247      2.33022  110.54      360         0           0           
1 1 1 0  6  6  o 274.064 1.8138  409.128      7.65327  409.128      7.65327  242.345     360         24.7061     180         
1 1 1 0  6  7  o 390.503 1.83578 830.513      11.038   830.513      11.038   450.607     180         175.678     180         
1 1 1 0  6  8  o 463.772 1.85284 1171.36      13.2313  1171.36      13.2313  446.229     0           31.1735     0           
1 1 1 0  6  9  f 263.999 1.82062 379.626      7.39976  379.626      7.39976  124.178     180         0           0           
1 1 1 0  6  10 o 144.657 1.9592  114.074      4.36063  114.074      4.36063  151.085     180         65.7435     180         
1 1 1 0  6  11 o 346.802 1.83526 655.003      9.79972  655.003      9.79972  334.468     4.34937e-06 25.9661     4.34937e-06 
1 1 1 0  6  12 o 228.815 1.83159 285.19       6.45176  285.19       6.45176  237.622     180         51.3543     180         
1 1 1 0  6  13 o 316.938 1.84168 547.051      8.98693  547.051      8.98693  365.456     180         144.146     180         
1 1 1 0  6  14 o 14.6957 4.02798 1.60683      0.866479 1.60683      0.866479 19.4018     180         39.8174     180         
1 1 1 0  6  15 o 437.596 1.86791 1042.76      12.5859  1042.76      12.5859  281.259     1.39693e-06 246.284     180         
1 1 1 0  6  16 o 67.8479 2.29896 25.2383      2.38929  25.2383      2.38929  3.30061     0           52.1812     180         
1 1 1 0  6  17 o 340.707 2.14411 632.23       11.2471  632.23       11.2471  460.339     180         292.145     180         
1 1 1 0  6  18 o 17.0857 4.66932 2.16967      1.16578  2.16967      1.16578  3.45601     180         7.14929     180         
1 1 1 0  6  19 o 878.012 2.86218 4198.6       38.696   4198.6       38.696   923.428     360         230.566     360         
1 1 1 0  6  20 o 881.628 2.56331 4233.06      34.7984  4233.06      34.7984  940.03      360         258.986     360         
1 1 1 0  6  21 o 117.973 2.09584 75.9315      3.80199  75.9315      3.80199  30.0918     360         7.60774     360         
1 1 1 0  6  22 o 111.353 1.97261 67.6486      3.37766  67.6486      3.37766  66.135      1.51709e-05 9.42792     1.51709e-05 
1 1 1 0  6  23 o 327.899 1.87977 585.614      9.49006  585.614      9.49006  305.885     2.85256e-06 11.1539     2.85257e-06 
1 1 1 0  6  24 o 106.869 1.98001 62.3262      3.25336  62.3262      3.25336  88.737      180         7.18953     8.62496e-06 
1 1 1 0  6  25 o 109.593 2.25887 65.5869      3.80476  65.5869      3.80476  117.272     180         53.266      180         
1 1 1 0  6  26 o 86.6206 2.31572 41.0479      3.07881  41.0479      3.07881  73.4404     180         4.77646     180         
1 1 1 0  6  27 o 156.081 1.91364 132.81       4.59628  132.81       4.59628  112.2       2.68869e-06 59.8059     180         
1 1 1 0  6  28 o 57.2964 2.69341 18.1263      2.35194  18.1263      2.35194  25.8322     180         15.3296     8.61833e-06 
1 1 1 0  6  29 o 153.42  2.24323 128.408      5.29451  128.408      5.29451  184.977     180         91.5733     180         
1 1 1 0  6  30 o 84.8812 2.22784 39.4194      2.90284  39.4194      2.90284  74.0151     180         0.622742    360         
1 1 1 0  6  31 o 45.5097 2.63897 11.5154      1.81981  11.5154      1.81981  3.66779     180         52.2393     360         
1 1 1 0  6  32 o 58.1728 2.38884 18.6296      2.12326  18.6296      2.12326  10.9554     180         81.1452     8.64276e-06 
1 1 1 0  6  33 o 168.845 1.94288 155.452      5.0485   155.452      5.0485   179.227     180         54.2693     180         
1 1 1 0  6  34 o 125.257 2.02274 85.6262      3.89693  85.6262      3.89693  133.552     180         41.8949     180         
1 1 1 0  6  35 o 60.9627 2.45565 20.4586      2.28801  20.4586      2.28801  54.3677     180         12.9716     180         
1 1 1 0  6  36 o 77.3236 2.27304 32.7643      2.69585  32.7643      2.69585  68.7552     180         0.63797     8.65152e-06 
1 1 1 0  6  37 o 35.0882 4.18496 7.27989      2.06807  7.27989      2.06807  7.72451     360         39.1848     180         
1 1 1 0  6  38 o 67.3353 2.41188 24.9285      2.48613  24.9285      2.48613  60.8407     1.25183e-06 1.80016     1.25183e-06 
1 1 1 0  6  39 o 9.23411 4.362   -0.570735    1.70243  -0.570735    1.70243  4.20956     360         9.08156     360         
1 1 1 0  6  40 o 141.638 2.37504 109.752      5.17356  109.752      5.17356  109.472     180         32.3914     360         
1 1 1 0  6  41 o 24.841  4.92733 4.10151      1.6312   4.10151      1.6312   1.44784     2.44546e-05 3.43178     180         
1 1 1 0  6  42 o 100.972 2.11648 55.8572      3.28427  55.8572      3.28427  97.6156     180         16.928      180         
1 1 1 0  6  43 o 50.7072 2.68731 14.3323      2.0706   14.3323      2.0706   62.2404     180         35.5852     180         
1 1 1 0  6  44 o 13.0693 5.25581 1.27558      1.64623  1.27558      1.64623  2.13834     180         10.8279     180         
1 1 1 0  6  45 o 145.524 2.31466 116.311      5.181    116.311      5.181    167.98      5.46399e-07 80.9632     5.46399e-07 
1 1 1 0  6  46 o 19.1412 5.48523 2.8666       1.58176  2.8666       1.58176  5.16326     1.70672e-10 18.6799     180         
1 1 1 0  6  47 o 26.9853 5.23805 4.89868      1.88181  4.89868      1.88181  23.1529     360         1.44767     360         
1 1 1 0  6  48 f 15.2662 5.87149 1.94883      1.94884  1.94883      1.94884  19.6533     180         0           0           
1 1 1 0  6  49 o 7.36475 3.61382 -1.14755     1.43008  -1.14755     1.43008  4.76882     360         13.5834     360         
1 1 1 0  6  50 o 11.6008 4.92075 0.883744     1.57611  0.883744     1.57611  4.30512     8.65009e-06 22.7386     8.65009e-06 
1 1 1 0  6  51 o 10.3864 4.64162 0.383454     1.58629  0.383454     1.58629  0.675418    8.65005e-06 3.21109     8.65005e-06 
1 1 1 0  6  52 o 10.4388 4.67286 0.391945     1.61541  0.391945     1.61541  6.94928     180         25.6115     180         
1 1 1 0  6  53 o 16.4297 5.97969 2.46329      1.93211  2.46329      1.93211  1.39491     180         0.0245342   2.23119e-05 
1 1 1 0  6  54 o 52.1597 3.06996 15.6979      2.42509  15.6979      2.42509  57.2269     0           25.4379     0           
1 1 1 0  6  55 o 41.5197 4.40971 10.7601      2.63182  10.7601      2.63182  41.7221     180         12.8153     180         
1 1 1 0  6  56 o 11.1536 5.11227 0.394338     2.08143  0.394338     2.08143  0.40972     360         2.31965     180         
1 1 1 0  6  57 o 14.1027 5.73515 1.88349      1.99178  1.88349      1.99178  4.37129     360         0.287992    360         
1 1 1 0  6  58 o 22.2039 6.14152 4.28034      2.00707  4.28034      2.00707  14.7441     180         7.858       8.65142e-06 
1 1 1 0  6  59 o 29.264  6.29846 6.78862      2.47773  6.78862      2.47773  26.2878     180         3.48161     180         
1 1 1 0  6  60 o 14.184  5.76051 2.08682      2.00549  2.08682      2.00549  7.1141      180         5.57822     8.65141e-06 
1 1 1 0  6  61 o 11.0436 5.0625  0.640831     2.04195  0.640831     2.04195  0.560945    360         10.8069     360         
1 1 1 0  6  62 o 12.0386 5.43671 1.10241      2.24421  1.10241      2.24421  0.00607747  360         0.0754945   180         
1 1 1 0  6  63 o 34.2912 6.44783 9.59805      2.94162  9.59805      2.94162  38.8511     180         21.0731     180         
1 1 1 0  6  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  7  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  7  1  o 19.9645 2.27832 2.33322      0.645744 2.33322      0.645744 71.4835     90          149.595     90          
1 1 1 0  7  2  f 133.476 1.80253 97.1226      3.70185  97.1226      3.70185  267.804     90          0           0           
1 1 1 0  7  3  o 643.427 1.899   2254.59      18.8146  2254.59      18.8146  548.752     270         95.8551     90          
1 1 1 0  7  4  f 227.436 1.81187 281.786      6.34384  281.786      6.34384  271.772     270         0           0           
1 1 1 0  7  5  o 306.772 1.81527 512.572      8.57388  512.572      8.57388  371.373     90          174.049     90          
1 1 1 0  7  6  o 199.342 1.81129 216.491      5.55797  216.491      5.55797  269.767     270         188.757     270         
1 1 1 0  7  7  o 25.7062 2.33478 3.77285      0.882439 3.77285      0.882439 23.5837     270         50.9106     270         
1 1 1 0  7  8  o 284.285 1.82291 440.178      7.97864  440.178      7.97864  333.647     270         140.896     270         
1 1 1 0  7  9  o 85.7839 1.85118 40.1816      2.44021  40.1816      2.44021  20.1013     90          25.4012     270         
1 1 1 0  7  10 o 121.184 1.96659 80.091       3.66551  80.091       3.66551  42.2232     270         136.756     90          
1 1 1 0  7  11 o 647.503 1.91544 2282.98      19.0977  2282.98      19.0977  501.329     270         194.283     90          
1 1 1 0  7  12 o 380.957 1.84941 790.319      10.8481  790.319      10.8481  330.183     90          43.3706     270         
1 1 1 0  7  13 o 7.16045 3.19766 0.109223     0.751334 0.109223     0.751334 36.4568     89.9999     73.3575     89.9999     
1 1 1 0  7  14 o 160.62  1.85449 140.584      4.58408  140.584      4.58408  133.623     270         28.3953     90          
1 1 1 0  7  15 o 511.354 2.17723 1423.96      17.1428  1423.96      17.1428  491.64      90          40.9283     90          
1 1 1 0  7  16 o 32.6445 3.24462 6.13786      1.53854  6.13786      1.53854  59.0148     270         136.97      270         
1 1 1 0  7  17 o 59.5458 2.1752  19.4612      1.98231  19.4612      1.98231  16.2147     90          74.4346     90          
1 1 1 0  7  18 o 89.3355 2.33618 43.6372      3.20382  43.6372      3.20382  19.0298     90          190.049     90          
1 1 1 0  7  19 o 420.1   2.37655 961.248      15.3719  961.248      15.3719  308.877     90          153.316     270         
1 1 1 0  7  20 o 75.8413 2.11071 31.4671      2.45634  31.4671      2.45634  5.85711     90          76.2492     90          
1 1 1 0  7  21 o 80.1737 2.06702 35.143       2.54421  35.143       2.54421  5.96976     270         15.0883     90.0001     
1 1 1 0  7  22 o 87.7667 2.17187 42.1045      2.92715  42.1045      2.92715  27.7364     89.9999     7.82838     270         
1 1 1 0  7  23 o 371.585 2.01097 752.094      11.5052  752.094      11.5052  336.955     90          4.72522     270         
1 1 1 0  7  24 o 204.024 2.19296 226.88       6.88613  226.88       6.88613  186.05      90          0.00341797  90          
1 1 1 0  7  25 o 201.461 2.19069 221.236      6.79251  221.236      6.79251  163.938     90          39.0124     270         
1 1 1 0  7  26 o 104.47  2.27663 59.6258      3.6546   59.6258      3.6546   120.297     90          74.9402     90          
1 1 1 0  7  27 o 169.108 2.05616 155.921      5.35084  155.921      5.35084  113.259     90          80.5031     270         
1 1 1 0  7  28 o 237.667 2.02529 307.845      7.40973  307.845      7.40973  251.466     90          72.1424     90          
1 1 1 0  7  29 o 45.1572 3.09384 11.4278      2.10191  11.4278      2.10191  13.6544     270         94.863      270         
1 1 1 0  7  30 o 303.054 1.90228 500.454      8.87577  500.454      8.87577  311.92      90          76.4163     90          
1 1 1 0  7  31 o 49.2715 2.55066 13.4441      1.91091  13.4441      1.91091  18.5922     90          13.9454     270         
1 1 1 0  7  32 o 194.561 1.9347  206.365      5.79382  206.365      5.79382  160.412     90          29.3323     270         
1 1 1 0  7  33 o 79.3099 2.3686  34.4676      2.88097  34.4676      2.88097  34.8376     90          72.7542     270         
1 1 1 0  7  34 o 112.975 2.17806 69.7175      3.78277  69.7175      3.78277  104.957     90          7.38739     90          
1 1 1 0  7  35 o 103.892 2.22981 59.0012      3.55987  59.0012      3.55987  28.6784     90          128.511     270         
1 1 1 0  7  36 o 81.5041 2.57936 36.4536      3.22248  36.4536      3.22248  77.5992     90          9.77815     90          
1 1 1 0  7  37 f 66.0409 2.43422 23.987       2.46006  23.987       2.46006  52.0951     270         0           0           
1 1 1 0  7  38 o 106.986 2.26392 62.6192      3.72217  62.6192      3.72217  91.0206     270         8.1232      90          
1 1 1 0  7  39 o 38.4091 4.03401 8.60519      2.23133  8.60519      2.23133  22.7378     90          2.85575     270         
1 1 1 0  7  40 o 32.514  3.78956 6.2474       1.74259  6.2474       1.74259  11.3747     90          1.03273     270         
1 1 1 0  7  41 o 127.314 2.02997 88.6541      3.97517  88.6541      3.97517  110.84      270         3.03268     90          
1 1 1 0  7  42 o 50.8701 2.66511 14.4092      2.06076  14.4092      2.06076  32.6827     270         24.1972     90          
1 1 1 0  7  43 o 70.5083 2.3264  27.4029      2.51332  27.4029      2.51332  80.4461     90          37.0615     90          
1 1 1 0  7  44 o 12.1794 4.89404 1.10472      1.42584  1.10472      1.42584  1.34515     270         5.66994     270         
1 1 1 0  7  45 o 53.2342 2.78781 15.8518      2.25583  15.8518      2.25583  48.328      90          3.64956     90          
1 1 1 0  7  46 o 33.3399 4.18133 6.73463      1.94534  6.73463      1.94534  37.9981     270         23.9172     270         
1 1 1 0  7  47 o 37.8835 3.3582  8.31885      1.87578  8.31885      1.87578  34.3779     90          2.94495     90          
1 1 1 0  7  48 o 14.8396 6.08593 1.69627      2.27194  1.69627      2.27194  4.91646     90          10.5891     270         
1 1 1 0  7  49 o 9.14559 4.32546 -0.461365    1.68304  -0.461365    1.68304  1.42789     270         5.5441      270         
1 1 1 0  7  50 o 11.3667 4.87189 0.800556     1.57807  0.800556     1.57807  0.911957    89.9999     7.37355     89.9999     
1 1 1 0  7  51 o 31.0918 4.70762 6.18895      1.97938  6.18895      1.97938  31.0852     90          9.29439     90          
1 1 1 0  7  52 o 11.1993 5.10035 0.303765     2.02795  0.303765     2.02795  0.361094    270         3.48409     270         
1 1 1 0  7  53 o 19.5816 6.20224 3.3794       1.99256  3.3794       1.99256  11.5082     90.0001     4.43227     90.0001     
1 1 1 0  7  54 o 8.38821 4.04318 -0.699402    1.61215  -0.699402    1.61215  3.41654     270         14.2696     270         
1 1 1 0  7  55 o 16.0149 6.23458 2.4855       2.22552  2.4855       2.22552  9.29334     270         0.234478    270         
1 1 1 0  7  56 o 56.9964 2.89726 18.7542      2.51208  18.7542      2.51208  57.0431     270         17.732      270         
1 1 1 0  7  57 o 26.2439 6.43531 5.66778      2.34621  5.66778      2.34621  19.5309     270         5.14479     90          
1 1 1 0  7  58 o 10.2732 4.74336 0.29047      1.83848  0.29047      1.83848  0.120042    270         0.214097    89.9997     
1 1 1 0  7  59 o 11.0417 4.99252 0.696642     1.89949  0.696642     1.89949  1.6912      270         9.53059     90          
1 1 1 0  7  60 o 14.0208 5.73066 2.03175      2.00387  2.03175      2.00387  3.50728     270         14.8553     90          
1 1 1 0  7  61 o 20.313  6.63118 4.22866      2.28252  4.22866      2.28252  10.6561     270         4.12506     270         
1 1 1 0  7  62 o 21.4364 6.40677 4.47096      2.13648  4.47096      2.13648  17.7432     270         5.43406     270         
1 1 1 0  7  63 o 67.0187 3.19631 27.2625      3.26366  27.2625      3.26366  77.5563     90          44.5785     90          
1 1 1 0  8  0  o 236.702 2.5541  305.298      9.30466  305.298      9.30466  233.824     180         34.4569     180         
1 1 1 0  8  1  o 117.788 1.80754 75.6538      3.27503  75.6538      3.27503  75.4631     360         52.259      180         
1 1 1 0  8  2  o 498.841 1.98387 1355.18      15.2383  1355.18      15.2383  524.546     360         126.895     360         
1 1 1 0  8  3  o 69.0863 1.84659 26.1008      1.95812  26.1008      1.95812  11.3407     180         95.1233     180         
1 1 1 0  8  4  o 271.037 1.81352 400.114      7.56749  400.114      7.56749  224.818     180         51.2475     9.2215e-06  
1 1 1 0  8  5  o 362.439 1.83233 715.392      10.2254  715.392      10.2254  342.708     4.39066e-06 15.7985     4.39066e-06 
1 1 1 0  8  6  o 40.9618 2.02709 9.26983      1.26397  9.26983      1.26397  40.6665     1.14426e-05 102.437     1.14426e-05 
1 1 1 0  8  7  o 97.5669 1.83879 51.9429      2.75821  51.9429      2.75821  47.8953     180         19.3753     1.68527e-05 
1 1 1 0  8  8  o 185.399 1.9434  187.283      5.54554  187.283      5.54554  61.9046     180         218.321     9.57981e-06 
1 1 1 0  8  9  o 295.623 1.82725 475.953      8.31669  475.953      8.31669  295.567     4.05264e-06 45.868      4.05264e-06 
1 1 1 0  8  10 o 209.699 1.82755 239.541      5.89939  239.541      5.89939  231.23      360         76.1402     360         
1 1 1 0  8  11 o 247.621 1.83005 333.968      6.97645  333.968      6.97645  242.882     360         29.5779     360         
1 1 1 0  8  12 o 61.866  1.98909 20.969       1.88599  20.969       1.88599  37.0943     180         161.525     180         
1 1 1 0  8  13 o 375.976 1.85404 769.794      10.733   769.794      10.733   398.48      1.29551e-06 105.291     1.29551e-06 
1 1 1 0  8  14 o 444.763 2.1567  1077.28      14.7694  1077.28      14.7694  389.787     360         37.9856     180         
1 1 1 0  8  15 o 195.699 2.1425  208.69       6.45303  208.69       6.45303  264.281     2.47343e-07 192.757     2.47343e-07 
1 1 1 0  8  16 f 161.703 2.02519 142.513      5.03926  142.513      5.03926  112.781     180         0           0           
1 1 1 0  8  17 f 214.622 2.17189 250.98       7.17466  250.98       7.17466  251.361     180         0           0           
1 1 1 0  8  18 o 314.326 2.14878 538.161      10.3985  538.161      10.3985  271.472     180         32.6575     8.82654e-06 
1 1 1 0  8  19 o 33.7075 2.97414 6.47153      1.4789   6.47153      1.4789   54.1093     7.24523e-06 121.777     7.24523e-06 
1 1 1 0  8  20 o 255.033 1.86635 354.295      7.32783  354.295      7.32783  296.219     0           126.511     0           
1 1 1 0  8  21 o 172.851 1.90321 162.821      5.06305  162.821      5.06305  141.14      180         33.0013     9.00677e-06 
1 1 1 0  8  22 o 15.4088 4.7987  1.86059      1.19309  1.86059      1.19309  15.2678     360         31.785      360         
1 1 1 0  8  23 o 7.71522 3.58547 -0.196841    1.07604  -0.196841    1.07604  53.4953     180         108.246     180         
1 1 1 0  8  24 o 191.56  1.89463 199.974      5.58633  199.974      5.58633  221.283     6.30104e-07 94.392      6.30104e-07 
1 1 1 0  8  25 o 387.373 1.89214 817.434      11.2856  817.434      11.2856  389.937     180         76.8052     180         
1 1 1 0  8  26 o 108.065 2.25515 63.7875      3.74534  63.7875      3.74534  124.739     180         57.0867     180         
1 1 1 0  8  27 o 178.273 2.69176 173.448      7.38187  173.448      7.38187  122.434     7.75837e-07 77.696      180         
1 1 1 0  8  28 o 125.901 2.09645 86.5031      4.05938  86.5031      4.05938  158.805     0           92.2616     0           
1 1 1 0  8  29 o 27.4711 5.56434 5.01552      2.04013  5.01552      2.04013  0.78327     6.20623e-05 2.21243     6.20623e-05 
1 1 1 0  8  30 o 162.133 2.26674 143.419      5.65429  143.419      5.65429  126.893     0           38.0901     180         
1 1 1 0  8  31 o 9.68929 4.2711  0.311821     1.2946   0.311821     1.2946   21.2934     2.23611e-05 44.4617     2.23611e-05 
1 1 1 0  8  32 o 93.0541 2.1029  47.33        3.00633  47.33        3.00633  88.9905     0           11.2297     0           
1 1 1 0  8  33 o 95.7318 2.12269 50.0917      3.12221  50.0917      3.12221  52.9675     2.29582e-05 45.7981     2.29582e-05 
1 1 1 0  8  34 o 94.3739 2.13263 48.693       3.09208  48.693       3.09208  105.57      180         43.0166     180         
1 1 1 0  8  35 o 362.698 2.21936 717.35       12.3934  717.35       12.3934  342.526     180         38.3687     180         
1 1 1 0  8  36 o 82.4697 2.57735 37.3265      3.2585   37.3265      3.2585   42.1628     180         62.4066     8.65141e-06 
1 1 1 0  8  37 o 34.1033 4.12191 6.89626      1.97493  6.89626      1.97493  2.53995     360         0.392437    180         
1 1 1 0  8  38 o 206.434 2.49751 232.915      7.93398  232.915      7.93398  199.661     180         33.6361     180         
1 1 1 0  8  39 o 45.5508 3.0491  11.6556      2.09204  11.6556      2.09204  17.0752     3.16735e-05 10.5623     3.16735e-05 
1 1 1 0  8  40 o 57.4428 2.54786 18.2556      2.23315  18.2556      2.23315  22.6532     180         55.9783     8.65146e-06 
1 1 1 0  8  41 o 108.842 2.08706 64.8774      3.4922   64.8774      3.4922   121.265     5.34676e-06 51.073      5.34675e-06 
1 1 1 0  8  42 o 11.0988 4.6737  0.756834     1.40211  0.756834     1.40211  1.96309     180         5.79992     180         
1 1 1 0  8  43 o 43.5008 2.91422 10.6781      1.90943  10.6781      1.90943  44.871      360         13.7017     360         
1 1 1 0  8  44 o 23.3934 5.08906 3.795        1.60316  3.795        1.60316  6.73169     1.23906e-05 2.37481     1.23906e-05 
1 1 1 0  8  45 o 33.371  3.63799 6.58879      1.73743  6.58879      1.73743  28.2671     180         1.27207     8.65118e-06 
1 1 1 0  8  46 o 98.1523 2.43079 53.1709      3.66375  53.1709      3.66375  87.4965     180         4.5506      180         
1 1 1 0  8  47 o 53.0818 3.01445 15.8954      2.42633  15.8954      2.42633  65.7706     4.64495e-06 39.6187     4.64496e-06 
1 1 1 0  8  48 o 48.4052 3.39369 13.4426      2.46837  13.4426      2.46837  40.1282     180         3.33253     8.65159e-06 
1 1 1 0  8  49 o 51.2711 3.44816 15.1126      2.66232  15.1126      2.66232  53.4177     180         18.5516     180         
1 1 1 0  8  50 o 10.0552 4.61058 0.0772317    1.69513  0.0772317    1.69513  2.55637     8.65217e-06 10.2243     8.65217e-06 
1 1 1 0  8  51 o 16.3166 5.65391 2.33193      1.68449  2.33193      1.68449  0.642885    180         24.261      8.65149e-06 
1 1 1 0  8  52 o 11.5757 5.23536 0.468273     2.09044  0.468273     2.09044  0.169467    8.65171e-06 6.05098     8.65172e-06 
1 1 1 0  8  53 o 18.0436 5.90028 2.90224      1.80748  2.90224      1.80748  1.30918     360         33.1343     360         
1 1 1 0  8  54 o 13.8227 6.13724 1.3122       2.72408  1.3122       2.72408  6.01162     180         2.34329     8.71671e-06 
1 1 1 0  8  55 o 9.72436 4.53371 -0.0201344   1.74191  -0.0201344   1.74191  1.41178     8.64561e-06 10.6429     8.64561e-06 
1 1 1 0  8  56 o 16.121  5.89719 2.52884      1.88547  2.52884      1.88547  10.3182     360         2.13206     180         
1 1 1 0  8  57 o 18.4638 6.13234 3.27756      1.95748  3.27756      1.95748  9.14714     180         12.5589     360         
1 1 1 0  8  58 o 24.692  6.00701 4.99381      2.05482  4.99381      2.05482  22.19       180         17.4787     180         
1 1 1 0  8  59 o 9.70067 4.576   -0.0279487   1.86221  -0.0279487   1.86221  0.755877    180         12.2065     180         
1 1 1 0  8  60 o 14.6139 5.83018 2.26805      2.00412  2.26805      2.00412  0.416355    0           22.132      180         
1 1 1 0  8  61 o 19.7199 6.41146 3.93961      2.13273  3.93961      2.13273  12.0795     2.66243e-07 0.622168    2.66243e-07 
1 1 1 0  8  62 o 13.3117 5.95138 1.87716      2.6109   1.87716      2.6109   2.96705     360         2.80656     180         
1 1 1 0  8  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  9  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  9  1  o 503.337 1.8574  1379.58      14.3955  1379.58      14.3955  581.094     270         235.171     270         
1 1 1 0  9  2  o 31.0136 2.17588 5.39032      1.01395  5.39032      1.01395  11.9713     90.0001     27.0707     90.0001     
1 1 1 0  9  3  o 40.7487 1.95149 9.16498      1.21143  9.16498      1.21143  10.9736     270         28.1109     270         
1 1 1 0  9  4  o 97.8665 1.9458  52.2747      2.92715  52.2747      2.92715  43.574      90          4.69794     270         
1 1 1 0  9  5  o 261.603 1.81631 372.736      7.31526  372.736      7.31526  284.522     270         87.5834     270         
1 1 1 0  9  6  o 44.4266 2.13679 10.8955      1.44605  10.8955      1.44605  61.0025     90          163.294     90          
1 1 1 0  9  7  o 239.066 1.8236  311.296      6.71156  311.296      6.71156  111.385     90          216.903     270         
1 1 1 0  9  8  o 8.05282 3.29647 0.431252     0.664643 0.431252     0.664643 43.1        270         86.8627     270         
1 1 1 0  9  9  o 164.543 1.83415 147.526      4.64474  147.526      4.64474  173.58      270         47.5476     270         
1 1 1 0  9  10 o 77.8933 1.92397 33.1572      2.30136  33.1572      2.30136  5.03191     90          108.287     270         
1 1 1 0  9  11 o 618.624 1.90811 2083.88      18.1761  2083.88      18.1761  734.588     270         333.876     270         
1 1 1 0  9  12 o 175.307 1.84775 167.447      4.98556  167.447      4.98556  145.251     270         30.7838     90          
1 1 1 0  9  13 o 193.422 2.14317 203.865      6.37987  203.865      6.37987  146.239     90          61.941      270         
1 1 1 0  9  14 o 145.112 2.18477 114.82       4.87702  114.82       4.87702  146.992     270         50.7809     270         
1 1 1 0  9  15 o 246.502 1.85801 330.972      7.05094  330.972      7.05094  168.791     90          113.408     270         
1 1 1 0  9  16 o 137.861 2.21969 103.656      4.70669  103.656      4.70669  114.982     90          0.350449    90          
1 1 1 0  9  17 o 99.5103 2.30002 54.0974      3.51589  54.0974      3.51589  11.7728     90          192.809     90          
1 1 1 0  9  18 o 457.006 2.0154  1137.46      14.1819  1137.46      14.1819  475.995     270         118.321     270         
1 1 1 0  9  19 o 59.7385 2.23215 19.5974      2.0402   19.5974      2.0402   27.7119     90          120.055     90          
1 1 1 0  9  20 o 25.6099 3.81421 4.01335      1.32407  4.01335      1.32407  43.5209     90          96.3763     90          
1 1 1 0  9  21 o 50.8293 2.3559  14.2529      1.82557  14.2529      1.82557  0.511986    90.0002     5.62381     90.0002     
1 1 1 0  9  22 o 19.8195 4.60376 2.73442      1.24635  2.73442      1.24635  92.3624     270         200.429     270         
1 1 1 0  9  23 o 158.378 1.90842 136.737      4.6513   136.737      4.6513   187.804     90          88.6752     90          
1 1 1 0  9  24 o 109.526 1.95606 65.4651      3.29428  65.4651      3.29428  125.661     270         58.5587     270         
1 1 1 0  9  25 o 63.8822 2.17629 22.3863      2.12947  22.3863      2.12947  39.3174     90          11.4662     270         
1 1 1 0  9  26 o 309.125 1.88783 520.639      8.98488  520.639      8.98488  290.662     270         23.2722     270         
1 1 1 0  9  27 o 12.0181 4.76466 1.05753      1.32786  1.05753      1.32786  41.6886     90          87.1084     90          
1 1 1 0  9  28 o 22.6275 4.79377 3.45113      1.45479  3.45113      1.45479  14.0916     270         34.336      270         
1 1 1 0  9  29 o 74.6958 2.33598 30.5848      2.67492  30.5848      2.67492  70.5315     90          20.2286     90          
1 1 1 0  9  30 o 63.2926 2.73189 22.0841      2.63964  22.0841      2.63964  23.2067     90.0001     13.211      90.0001     
1 1 1 0  9  31 f 18.9247 5.92458 2.82337      1.81828  2.82337      1.81828  11.7405     90          0           0           
1 1 1 0  9  32 o 156.481 2.1055  133.586      5.06935  133.586      5.06935  137.664     270         4.26303     90          
1 1 1 0  9  33 o 234.744 2.23276 300.538      8.06766  300.538      8.06766  217.299     270         15.9794     270         
1 1 1 0  9  34 o 215.707 2.45407 253.935      8.14682  253.935      8.14682  234.411     270         84.914      270         
1 1 1 0  9  35 o 153.673 2.3134  128.967      5.46881  128.967      5.46881  171.024     270         69.1063     270         
1 1 1 0  9  36 o 38.1185 3.29943 8.29017      1.85918  8.29017      1.85918  18.5675     270         1.96341     270         
1 1 1 0  9  37 o 47.8118 3.39583 12.8811      2.43784  12.8811      2.43784  42.3223     270         10.1205     270         
1 1 1 0  9  38 o 59.1361 2.6968  19.3516      2.43205  19.3516      2.43205  57.1076     90          10.8957     90          
1 1 1 0  9  39 o 20.1165 5.38145 3.01633      1.56313  3.01633      1.56313  7.64201     270         35.4461     270         
1 1 1 0  9  40 o 44.6841 2.86359 11.2049      1.9313   11.2049      1.9313   47.7095     270         21.3184     270         
1 1 1 0  9  41 o 67.5964 2.57168 25.2501      2.65906  25.2501      2.65906  65.4723     90          12.4966     90          
1 1 1 0  9  42 o 46.8005 2.98929 12.3321      2.11187  12.3321      2.11187  43.9455     90          6.09826     90          
1 1 1 0  9  43 o 50.5118 2.87242 14.3039      2.19997  14.3039      2.19997  40.5276     270         7.01607     90          
1 1 1 0  9  44 o 17.6343 5.41914 2.50228      1.52291  2.50228      1.52291  1.4391      90          1.34558     270         
1 1 1 0  9  45 o 38.489  3.22089 8.5266       1.83875  8.5266       1.83875  47.8498     90          31.0659     90          
1 1 1 0  9  46 o 57.1492 2.74889 18.2679      2.39301  18.2679      2.39301  52.9431     270         7.02713     270         
1 1 1 0  9  47 o 36.2073 4.43029 7.98958      2.24857  7.98958      2.24857  23.4978     90          15.4648     270         
1 1 1 0  9  48 o 17.9475 5.79128 2.71821      1.73881  2.71821      1.73881  3.5841      270         22.5565     90          
1 1 1 0  9  49 o 75.5029 2.89622 32.013       3.34454  32.013       3.34454  60.0388     90          9.43175     270         
1 1 1 0  9  50 o 39.8688 3.81448 9.44368      2.22109  9.44368      2.22109  36.9419     270         5.70388     270         
1 1 1 0  9  51 o 19.8632 6.59297 3.53998      2.26231  3.53998      2.26231  2.62037     270         1.00215     270         
1 1 1 0  9  52 o 24.9582 5.68873 4.64072      1.93016  4.64072      1.93016  25.0418     270         10.4223     270         
1 1 1 0  9  53 f 9.7743  4.64049 -0.404169    1.97076  -0.404169    1.97076  9.07132     90          0           0           
1 1 1 0  9  54 o 11.2094 5.11804 0.420979     2.05922  0.420979     2.05922  1.23979     270         4.42964     90          
1 1 1 0  9  55 o 10.6684 4.8027  0.525593     1.73474  0.525593     1.73474  0.435986    90          10.6669     90          
1 1 1 0  9  56 o 32.8291 5.26476 7.45276      2.32056  7.45276      2.32056  34.2495     270         13.4055     270         
1 1 1 0  9  57 o 9.02264 4.32072 -0.432609    1.78038  -0.432609    1.78038  0.087678    270         1.08407     90.0002     
1 1 1 0  9  58 o 20.0491 6.25172 3.82202      2.0249   3.82202      2.0249   11.1689     270         10.8571     90          
1 1 1 0  9  59 o 9.71338 4.58519 -0.0201573   1.87535  -0.0201573   1.87535  1.17034     270         13.6259     270         
1 1 1 0  9  60 o 10.5606 4.89025 0.413998     1.97499  0.413998     1.97499  1.21707     90          8.55284     90          
1 1 1 0  9  61 o 40.055  4.13851 10.4077      2.39355  10.4077      2.39355  53.6737     270         43.5239     270         
1 1 1 0  9  62 o 12.7567 5.56601 1.71353      2.14378  1.71353      2.14378  3.56511     270         10.015      90          
1 1 1 0  9  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  10 0  o 414.479 2.60009 935.609      16.5922  935.609      16.5922  447.849     360         135.588     360         
1 1 1 0  10 1  o 357.751 1.82789 696.975      10.0686  696.975      10.0686  302.18      180         51.6991     8.37387e-06 
1 1 1 0  10 2  o 251.487 1.94021 344.49       7.51168  344.49       7.51168  336.512     180         212.194     180         
1 1 1 0  10 3  o 503.401 1.86121 1379.91      14.4269  1379.91      14.4269  467.615     180         12.2929     180         
1 1 1 0  10 4  o 116.3   1.83534 73.7552      3.28318  73.7552      3.28318  89.9432     180         17.0472     360         
1 1 1 0  10 5  o 66.0401 1.8983  23.8644      1.9232   23.8644      1.9232   0.626469    360         34.9759     180         
1 1 1 0  10 6  o 344.748 1.83769 647.242      9.75459  647.242      9.75459  199.647     4.96251e-09 232.263     180         
1 1 1 0  10 7  o 445.839 1.98604 1082.44      13.6338  1082.44      13.6338  546.089     360         275.744     360         
1 1 1 0  10 8  o 184.817 1.83345 186.093      5.21563  186.093      5.21563  225.032     180         114.346     180         
1 1 1 0  10 9  o 89.8801 1.92766 44.1083      2.66243  44.1083      2.66243  39.3074     180         44.4381     1.45903e-05 
1 1 1 0  10 10 o 278.366 1.84025 422.026      7.88674  422.026      7.88674  323.491     180         138.003     180         
1 1 1 0  10 11 o 388.362 1.85559 821.353      11.0959  821.353      11.0959  519.948     9.61992e-07 330.232     9.61992e-07 
1 1 1 0  10 12 o 150.371 2.00695 123.254      4.64345  123.254      4.64345  115.045     360         41.0909     180         
1 1 1 0  10 13 o 461.042 2.1607  1157.61      15.3384  1157.61      15.3384  427.279     180         13.2807     180         
1 1 1 0  10 14 o 221.928 1.85458 268.296      6.33594  268.296      6.33594  221.264     180         38.2217     180         
1 1 1 0  10 15 o 389.454 1.99424 826.051      11.9584  826.051      11.9584  385.951     1.96244e-06 62.4305     1.96244e-06 
1 1 1 0  10 16 o 195.889 2.16467 209.118      6.52609  209.118      6.52609  191.878     0           28.14       0           
1 1 1 0  10 17 o 182.163 1.8816  180.815      5.27555  180.815      5.27555  225.05      180         128.881     180         
1 1 1 0  10 18 o 158.258 1.90291 136.508      4.63435  136.508      4.63435  176.508     0           70.6698     0           
1 1 1 0  10 19 o 103.455 1.96334 58.4139      3.1227   58.4139      3.1227   80.2047     180         15.3797     9.13352e-06 
1 1 1 0  10 20 o 296.638 1.86755 479.332      8.52926  479.332      8.52926  280.701     360         23.8099     360         
1 1 1 0  10 21 o 41.2931 2.54421 9.49884      1.58832  9.49884      1.58832  24.5158     8.92337e-06 91.0912     8.92337e-06 
1 1 1 0  10 22 o 173.507 1.89501 164.085      5.06039  164.085      5.06039  146.285     360         21.0907     180         
1 1 1 0  10 23 f 179.697 1.89106 176          5.23021  176          5.23021  117.495     180         0           0           
1 1 1 0  10 24 o 173.189 1.90565 163.5        5.07944  163.5        5.07944  198.568     180         84.9046     180         
1 1 1 0  10 25 o 106.067 1.98049 61.4144      3.22967  61.4144      3.22967  83.6206     3.10901e-06 23.4411     180         
1 1 1 0  10 26 o 46.7326 2.48456 12.1022      1.76417  12.1022      1.76417  2.24951     0           51.0815     180         
1 1 1 0  10 27 o 200.798 2.03364 219.811      6.28527  219.811      6.28527  187.124     180         13.8762     180         
1 1 1 0  10 28 o 100.195 2.32052 54.886       3.5716   54.886       3.5716   58.5411     180         62.422      8.64904e-06 
1 1 1 0  10 29 o 186.274 1.9268  189.168      5.52422  189.168      5.52422  155.023     180         23.1527     360         
1 1 1 0  10 30 f 189.375 2.08426 195.567      6.07475  195.567      6.07475  187.068     180         0           0           
1 1 1 0  10 31 o 177.13  2.27501 171.178      6.2007   171.178      6.2007   236.021     1.7663e-06  156.326     1.7663e-06  
1 1 1 0  10 32 o 116.026 2.17826 73.5312      3.88562  73.5312      3.88562  100.516     360         5.38524     180         
1 1 1 0  10 33 o 27.8645 4.99662 4.98159      1.85366  4.98159      1.85366  17.2328     180         71.4528     180         
1 1 1 0  10 34 f 74.3821 2.64725 30.4171      3.01456  30.4171      3.01456  28.8569     180         0           0           
1 1 1 0  10 35 f 134.354 2.02786 98.5628      4.19113  98.5628      4.19113  102.784     180         0           0           
1 1 1 0  10 36 o 20.942  6.30969 3.43531      2.06949  3.43531      2.06949  4.96746     8.65232e-06 19.705      8.65232e-06 
1 1 1 0  10 37 o 103.994 2.69908 59.3485      4.30904  59.3485      4.30904  97.5451     180         11.9602     180         
1 1 1 0  10 38 o 11.0299 4.75222 0.608479     1.51838  0.608479     1.51838  11.7152     180         27.0623     180         
1 1 1 0  10 39 o 19.3058 5.37803 2.83325      1.53493  2.83325      1.53493  2.65739     360         20.1877     360         
1 1 1 0  10 40 o 134.841 2.02587 99.5044      4.20223  99.5044      4.20223  126.56      360         17.289      360         
1 1 1 0  10 41 f 103.927 2.11957 59.2427      3.38568  59.2427      3.38568  93.9781     1.60533e-06 0           0           
1 1 1 0  10 42 o 75.2113 2.30611 31.1762      2.65942  31.1762      2.65942  63.6672     180         3.56923     360         
1 1 1 0  10 43 o 62.0078 2.62384 21.3633      2.48464  21.3633      2.48464  60.2119     4.48875e-06 12.772      4.48875e-06 
1 1 1 0  10 44 f 40.1388 3.45134 9.30963      2.04927  9.30963      2.04927  29.3585     360         0           0           
1 1 1 0  10 45 o 75.5169 2.48504 31.5848      2.87549  31.5848      2.87549  75.1974     4.69202e-07 19.9721     4.69202e-07 
1 1 1 0  10 46 o 11.5415 4.92145 0.814891     1.59328  0.814891     1.59328  3.50999     180         22.1679     180         
1 1 1 0  10 47 o 15.3831 5.69906 2.03632      1.77688  2.03632      1.77688  5.68363     8.80643e-06 8.14159     180         
1 1 1 0  10 48 o 70.3305 2.72791 27.695       2.9339   27.695       2.9339   74.5168     180         28.5683     180         
1 1 1 0  10 49 o 98.0427 2.86791 53.8078      4.31294  53.8078      4.31294  93.7537     6.03605e-07 20.0575     6.03605e-07 
1 1 1 0  10 50 o 84.6758 3.49937 40.9248      4.52689  40.9248      4.52689  111.603     0           79.0103     0           
1 1 1 0  10 51 f 49.7991 3.87201 14.6962      2.8779   14.6962      2.8779   43.1897     3.25858e-06 0           0           
1 1 1 0  10 52 o 9.06457 4.27156 -0.269226    1.61552  -0.269226    1.61552  3.97893     8.6727e-06  16.8089     8.6727e-06  
1 1 1 0  10 53 o 15.032  6.09804 2.10214      2.24367  2.10214      2.24367  7.44454     360         7.1264      180         
1 1 1 0  10 54 o 11.3282 4.97992 0.806776     1.74781  0.806776     1.74781  0.837296    360         4.89744     180         
1 1 1 0  10 55 o 9.53068 4.47674 -0.105951    1.75041  -0.105951    1.75041  0.0142125   8.10032e-05 0.624355    180         
1 1 1 0  10 56 o 11.2097 4.99053 0.78801      1.81447  0.78801      1.81447  3.26541     0           7.53335     180         
1 1 1 0  10 57 o 10.9734 4.94578 0.691384     1.84605  0.691384     1.84605  2.0005      1.17204e-05 4.41882     180         
1 1 1 0  10 58 o 40.9365 3.85058 10.5241      2.30741  10.5241      2.30741  45.5689     2.12351e-06 23.1886     2.12351e-06 
1 1 1 0  10 59 o 9.24884 4.42858 -0.320745    1.8694   -0.320745    1.8694   0.808143    8.65152e-06 4.83852     8.65151e-06 
1 1 1 0  10 60 o 12.5285 5.40953 1.45824      1.97684  1.45824      1.97684  0.283381    180         4.69557     8.65139e-06 
1 1 1 0  10 61 o 19.4921 6.41976 4.04327      2.14203  4.04327      2.14203  14.1846     3.16965e-06 0.964643    180         
1 1 1 0  10 62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  11 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  11 1  o 213.736 1.81797 248.848      5.98155  248.848      5.98155  141.895     90          106.309     270         
1 1 1 0  11 2  o 750.218 2.07631 3064.78      23.9858  3064.78      23.9858  670.216     90          28.7006     270         
1 1 1 0  11 3  o 88.546  1.85943 42.8034      2.53028  42.8034      2.53028  80.0817     270         320.402     270         
1 1 1 0  11 4  o 214.61  1.81662 250.888      6.00155  250.888      6.00155  179.694     90          32.1236     270         
1 1 1 0  11 5  o 606.882 1.89509 2005.53      17.7095  2005.53      17.7095  579.064     90          51.2693     90          
1 1 1 0  11 6  o 21.5374 3.26782 2.84798      0.9515   2.84798      0.9515   41.0509     90          86.6663     90          
1 1 1 0  11 7  o 964.179 2.03435 5062.14      30.204   5062.14      30.204   912.597     90          67.932      90          
1 1 1 0  11 8  o 103.256 2.05423 58.1926      3.26042  58.1926      3.26042  9.24861     90          162.189     270         
1 1 1 0  11 9  o 154.267 1.8612  129.695      4.41845  129.695      4.41845  113.447     270         51.425      90          
1 1 1 0  11 10 f 527.161 1.89016 1513.3       15.3428  1513.3       15.3428  459.015     90          0           0           
1 1 1 0  11 11 o 154.172 2.00315 129.559      4.75201  129.559      4.75201  89.9254     90.0001     58.9789     90.0001     
1 1 1 0  11 12 o 281.151 2.13121 430.588      9.22452  430.588      9.22452  258.261     270         5.55426     270         
1 1 1 0  11 13 o 392.765 1.98983 840.162      12.0334  840.162      12.0334  271.005     270         171.281     90          
1 1 1 0  11 14 o 475.157 2.00922 1229.6       14.7001  1229.6       14.7001  407.061     90          48.1112     270         
1 1 1 0  11 15 o 550.698 2.19152 1651.74      18.583   1651.74      18.583   572.527     90          146.602     90          
1 1 1 0  11 16 o 387.334 1.99493 817.156      11.8974  817.156      11.8974  400.117     90          98.6171     90          
1 1 1 0  11 17 o 343.525 1.86859 642.771      9.88333  642.771      9.88333  293.076     270         35.5021     90          
1 1 1 0  11 18 o 32.6991 2.92055 6.09812      1.40687  6.09812      1.40687  71.1838     270         178.708     270         
1 1 1 0  11 19 o 309.643 1.86869 522.289      8.90875  522.289      8.90875  317.868     270         76.5921     270         
1 1 1 0  11 20 o 60.8307 2.1413  20.3056      1.99441  20.3056      1.99441  20.0857     90          20.4701     270         
1 1 1 0  11 21 o 282.315 1.87309 434.224      8.14135  434.224      8.14135  318.022     270         127.454     270         
1 1 1 0  11 22 o 44.9126 2.45604 11.1864      1.67462  11.1864      1.67462  1.25262     270         6.63128     90          
1 1 1 0  11 23 o 215.035 1.89386 251.993      6.26895  251.993      6.26895  297.113     90          207.854     90          
1 1 1 0  11 24 o 27.1183 3.69056 4.42766      1.37636  4.42766      1.37636  67.8156     270         170.067     270         
1 1 1 0  11 25 o 28.7337 3.49913 4.88315      1.41062  4.88315      1.41062  41.1034     270         111.308     270         
1 1 1 0  11 26 o 130.052 2.09612 92.2982      4.19287  92.2982      4.19287  101.341     90          29.9762     270         
1 1 1 0  11 27 o 230.577 1.90284 289.77       6.75423  289.77       6.75423  191.714     270         28.4254     90          
1 1 1 0  11 28 o 50.1333 2.80598 13.9599      2.13408  13.9599      2.13408  10.5585     90          64.4455     270         
1 1 1 0  11 29 o 20.3133 5.4618  3.05662      1.60639  3.05662      1.60639  5.8083      89.9998     15.2032     89.9998     
1 1 1 0  11 30 f 40.0324 3.0014  9.03209      1.79798  9.03209      1.79798  79.2268     270         0           0           
1 1 1 0  11 31 o 491.476 2.24895 1316.89      17.0189  1316.89      17.0189  505.472     90          139.094     90          
1 1 1 0  11 32 o 44.0226 3.2495  10.9206      2.14285  10.9206      2.14285  20.4792     90          0.666145    90          
1 1 1 0  11 33 o 9.83042 4.52397 -0.136712    1.65282  -0.136712    1.65282  18.7497     270         40.5326     270         
1 1 1 0  11 34 o 182.792 1.96832 182.304      5.53752  182.304      5.53752  217.381     270         112.369     270         
1 1 1 0  11 35 o 13.7445 5.52002 1.36759      1.8126   1.36759      1.8126   0.815029    90.0008     1.96801     90.0008     
1 1 1 0  11 36 o 133.211 2.37233 97.0873      4.85938  97.0873      4.85938  132.231     90          30.4891     90          
1 1 1 0  11 37 o 97.6516 2.14169 52.2163      3.21351  52.2163      3.21351  73.2532     270         24.6401     90          
1 1 1 0  11 38 o 30.6753 3.9397  5.65149      1.67915  5.65149      1.67915  12.9423     90          22.8845     270         
1 1 1 0  11 39 o 84.9918 2.20255 39.6606      2.87386  39.6606      2.87386  72.4579     270         3.37312     90          
1 1 1 0  11 40 o 40.6007 3.41596 9.45494      2.05604  9.45494      2.05604  32.8035     90          5.01358     270         
1 1 1 0  11 41 o 58.8504 2.92163 19.3287      2.61715  19.3287      2.61715  75.508      270         48.8625     270         
1 1 1 0  11 42 o 12.4664 5.09726 1.11929      1.58629  1.11929      1.58629  1.31386     270         6.25241     270         
1 1 1 0  11 43 o 67.8664 2.38716 25.4877      2.4806   25.4877      2.4806   79.8057     270         42.3474     270         
1 1 1 0  11 44 o 6.07963 3.07395 -1.973       1.31447  -1.973       1.31447  3.1065      89.9998     7.08691     89.9998     
1 1 1 0  11 45 o 49.3839 2.83451 13.7395      2.1218   13.7395      2.1218   43.8097     90          2.73449     90          
1 1 1 0  11 46 o 56.2708 3.07431 17.9043      2.62636  17.9043      2.62636  45.4991     270         5.46385     90          
1 1 1 0  11 47 o 69.8287 2.44323 27.1423      2.61243  27.1423      2.61243  61.2955     270         3.21686     270         
1 1 1 0  11 48 o 10.1464 4.68489 -0.0180209   1.79357  -0.0180209   1.79357  8.12397     90          27.4337     90          
1 1 1 0  11 49 o 11.7786 5.24245 0.615416     2.00086  0.615416     2.00086  0.835418    270         7.57817     270         
1 1 1 0  11 50 o 64.1282 3.3247  23.6071      3.24172  23.6071      3.24172  59.3845     270         10.0814     270         
1 1 1 0  11 51 o 9.51459 4.61457 -1.04994     2.17262  -1.04994     2.17262  1.44797     90          7.673       90          
1 1 1 0  11 52 o 12.5307 5.45544 1.09601      2.04884  1.09601      2.04884  2.89002     270         11.3952     90          
1 1 1 0  11 53 f 11.3367 4.98281 0.796456     1.74909  0.796456     1.74909  15.6909     270         0           0           
1 1 1 0  11 54 o 31.6911 4.80945 6.70835      2.06052  6.70835      2.06052  30.2531     270         7.47268     270         
1 1 1 0  11 55 o 8.83722 4.23711 -0.492749    1.72265  -0.492749    1.72265  0.297456    270         4.9065      90          
1 1 1 0  11 56 o 7.0014  3.53273 -2.09037     1.70147  -2.09037     1.70147  3.15175     90          11.2421     90          
1 1 1 0  11 57 o 16.257  6.02037 2.74154      1.98229  2.74154      1.98229  10.9129     90          1.49388     270         
1 1 1 0  11 58 o 59.4807 2.97558 20.8496      2.69352  20.8496      2.69352  59.1759     270         20.0899     270         
1 1 1 0  11 59 o 7.55022 3.79835 -2.02879     1.91287  -2.02879     1.91287  3.23238     90          8.91257     90          
1 1 1 0  11 60 o 26.0158 6.43116 5.92497      2.33121  5.92497      2.33121  26.2801     270         13.9859     270         
1 1 1 0  11 61 o 33.0372 5.2116  8.00486      2.31607  8.00486      2.31607  32.2912     270         10.5838     270         
1 1 1 0  12 0  o 112.87  2.62966 69.5929      4.55927  69.5929      4.55927  0.136525    179.999     0.455684    360         
1 1 1 0  12 1  o 38.2569 2.20682 8.12763      1.27951  8.12763      1.27951  27.9171     180         66.6751     180         
1 1 1 0  12 2  f 398.264 1.97206 863.802      12.0929  863.802      12.0929  393.712     360         0           0           
1 1 1 0  12 3  o 312.51  1.83368 531.887      8.82287  531.887      8.82287  308.948     180         50.6163     180         
1 1 1 0  12 4  o 283.192 1.8305  436.789      7.98103  436.789      7.98103  253.854     180         6.24396     9.2923e-06  
1 1 1 0  12 5  o 160.737 1.84393 140.791      4.56134  140.791      4.56134  71.8833     180         147.377     6.10652e-06 
1 1 1 0  12 6  o 123.268 1.87115 82.853       3.54811  82.853       3.54811  75.7783     360         52.8854     180         
1 1 1 0  12 7  o 443.842 1.85935 1072.78      12.7071  1072.78      12.7071  541.663     180         278.603     180         
1 1 1 0  12 8  o 262.049 1.8407  374.029      7.42605  374.029      7.42605  239.548     180         4.20013     180         
1 1 1 0  12 9  o 8.32265 3.57996 0.334        0.85863  0.334        0.85863  35.3454     360         71.1093     360         
1 1 1 0  12 10 o 425.942 1.98841 988.079      13.0408  988.079      13.0408  387.327     180         3.55206     180         
1 1 1 0  12 11 o 205.211 2.12508 229.475      6.71206  229.475      6.71206  253.735     4.08299e-06 140.953     4.08299e-06 
1 1 1 0  12 12 o 195.234 1.97369 207.696      5.93097  207.696      5.93097  256.851     360         176.743     360         
1 1 1 0  12 13 o 117.965 2.03117 75.9177      3.68475  75.9177      3.68475  15.6043     1.65304e-05 9.07074     1.65304e-05 
1 1 1 0  12 14 o 525.235 2.18589 1502.62      17.6782  1502.62      17.6782  556.063     180         163.972     180         
1 1 1 0  12 15 o 76.5341 2.15609 32.0536      2.53186  32.0536      2.53186  1.43042     6.9244e-06  128.446     180         
1 1 1 0  12 16 o 533.554 1.89935 1550.51      15.6045  1550.51      15.6045  570.781     180         180.1       180         
1 1 1 0  12 17 o 71.468  2.04651 27.9561      2.24383  27.9561      2.24383  6.42609     1.58359e-06 110.177     180         
1 1 1 0  12 18 f 162.01  1.88554 143.071      4.70112  143.071      4.70112  95.2576     0           0           0           
1 1 1 0  12 19 o 51.1448 2.26457 14.4168      1.7673   14.4168      1.7673   0.14753     360         70.9848     180         
1 1 1 0  12 20 o 158.737 1.90286 137.367      4.6483   137.367      4.6483   201.675     180         118.647     180         
1 1 1 0  12 21 o 252.475 1.87802 347.329      7.2996   347.329      7.2996   221.291     9.47054e-07 9.88818     180         
1 1 1 0  12 22 o 129.916 1.93906 92.0664      3.87532  92.0664      3.87532  114.359     360         3.78835     180         
1 1 1 0  12 23 o 276.868 1.87806 417.698      8.00539  417.698      8.00539  238.573     4.78334e-07 17.7498     180         
1 1 1 0  12 24 f 117.919 1.96831 75.8809      3.5696   75.8809      3.5696   17.1315     180         0           0           
1 1 1 0  12 25 o 207.799 1.90631 235.366      6.09766  235.366      6.09766  296.754     180         223.133     180         
1 1 1 0  12 26 o 18.7254 4.97494 2.58203      1.34025  2.58203      1.34025  4.49974     8.78285e-06 10.755      8.78285e-06 
1 1 1 0  12 27 o 243.558 1.90961 323.321      7.16009  323.321      7.16009  265.48      2.89307e-06 98.1783     2.89307e-06 
1 1 1 0  12 28 o 207.204 2.05477 234.089      6.55327  234.089      6.55327  196.126     180         24.6702     180         
1 1 1 0  12 29 o 12.0578 4.94331 0.972616     1.49808  0.972616     1.49808  51.4576     8.65151e-06 110.546     8.65151e-06 
1 1 1 0  12 30 o 129.809 2.33386 92.0439      4.65838  92.0439      4.65838  80.7017     360         68.0894     180         
1 1 1 0  12 31 o 64.7773 2.63995 23.1162      2.61317  23.1162      2.61317  54.3132     180         4.48175     8.65159e-06 
1 1 1 0  12 32 o 194.611 2.78988 206.983      8.35293  206.983      8.35293  211.823     360         80.8501     360         
1 1 1 0  12 33 o 77.8787 2.46238 33.2954      2.93952  33.2954      2.93952  70.7473     1.48914e-06 4.60378     1.48914e-06 
1 1 1 0  12 34 o 93.1646 2.5187  47.5994      3.6014   47.5994      3.6014   83.1731     180         2.88339     180         
1 1 1 0  12 35 o 96.8529 2.50863 51.4514      3.73004  51.4514      3.73004  101.949     180         34.3121     180         
1 1 1 0  12 36 o 56.5694 2.48262 17.6903      2.14332  17.6903      2.14332  38.7877     180         21.1775     8.65112e-06 
1 1 1 0  12 37 o 63.3993 2.80674 22.2699      2.71526  22.2699      2.71526  3.70999     180         3.29048     180         
1 1 1 0  12 38 o 63.2153 2.65723 22.1257      2.56555  22.1257      2.56555  77.4128     180         44.9694     180         
1 1 1 0  12 39 o 32.712  3.63413 6.31248      1.69575  6.31248      1.69575  32.7173     9.4319e-06  18.9459     9.4319e-06  
1 1 1 0  12 40 o 49.4846 2.69504 13.684       2.02489  13.684       2.02489  47.3765     180         9.06986     180         
1 1 1 0  12 41 o 88.8642 2.21616 43.4487      3.02405  43.4487      3.02405  58.2192     180         37.0721     360         
1 1 1 0  12 42 o 28.1881 4.30006 4.98078      1.63748  4.98078      1.63748  20.4303     180         12.4383     180         
1 1 1 0  12 43 o 11.0562 4.87869 0.49943      1.69362  0.49943      1.69362  6.0781      360         21.8287     360         
1 1 1 0  12 44 f 15.2148 5.48953 1.96109      1.61958  1.96109      1.61958  18.9357     180         0           0           
1 1 1 0  12 45 o 37.3652 3.67765 8.23328      1.99893  8.23328      1.99893  35.2614     3.60588e-06 6.63242     3.60588e-06 
1 1 1 0  12 46 o 17.9412 5.86291 2.73899      1.7845   2.73899      1.7845   2.70525     360         0.442797    360         
1 1 1 0  12 47 o 32.2183 4.49317 6.51761      1.98258  6.51761      1.98258  37.9034     1.61919e-07 25.7164     1.61919e-07 
1 1 1 0  12 48 o 8.20369 3.96563 -0.844145    1.57518  -0.844145    1.57518  6.16258     8.65194e-06 17.0247     8.65194e-06 
1 1 1 0  12 49 f 31.2917 5.70066 6.72651      2.37388  6.72651      2.37388  35.5471     180         0           0           
1 1 1 0  12 50 o 80.6755 2.4282  36.4612      3.00412  36.4612      3.00412  75.6178     0           15.2128     0           
1 1 1 0  12 51 o 12.7548 5.9709  0.198554     3.07082  0.198554     3.07082  2.14346     360         12.9728     180         
1 1 1 0  12 52 o 13.3048 5.70012 1.4116       2.15828  1.4116       2.15828  4.44148     180         5.30725     360         
1 1 1 0  12 53 o 13.6866 5.65119 1.69123      1.98037  1.69123      1.98037  4.09148     180         7.59172     8.65154e-06 
1 1 1 0  12 54 f 8.11186 3.99688 -1.25801     1.79793  -1.25801     1.79793  7.1636      360         0           0           
1 1 1 0  12 55 o 39.7941 4.14248 10.0226      2.37738  10.0226      2.37738  40.9387     180         15.8186     180         
1 1 1 0  12 56 o 9.11871 4.35621 -0.343398    1.78839  -0.343398    1.78839  0.537965    8.65142e-06 7.48123     8.65142e-06 
1 1 1 0  12 57 f 10.7852 4.91563 0.611696     1.88855  0.611696     1.88855  9.11214     9.15029e-06 0           0           
1 1 1 0  12 58 o 9.06792 4.35543 -0.399442    1.83668  -0.399442    1.83668  1.09145     180         4.60423     180         
1 1 1 0  12 59 o 12.4114 5.3967  1.41194      1.99903  1.41194      1.99903  2.35306     180         19.8662     180         
1 1 1 0  12 60 o 10.3844 4.8581  0.432464     2.02757  0.432464     2.02757  0.208791    180         6.23836     8.63747e-06 
1 1 1 0  12 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  13 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  13 1  o 175.714 1.83316 168.234      4.95776  168.234      4.95776  164.692     90          115.364     90          
1 1 1 0  13 2  o 76.7854 1.91857 32.2256      2.2621   32.2256      2.2621   0.202892    90          18.5007     270         
1 1 1 0  13 3  o 200.246 1.83115 218.455      5.64435  218.455      5.64435  248.145     90          150.608     90          
1 1 1 0  13 4  o 14.4788 4.0931  1.58056      0.884526 1.58056      0.884526 6.34608     270         12.9414     270         
1 1 1 0  13 5  o 156.614 1.83984 133.674      4.43437  133.674      4.43437  19.7415     90.0001     14.2147     90.0001     
1 1 1 0  13 6  o 8.82078 3.6238  0.510774     0.807725 0.510774     0.807725 94.3982     90          190.248     90          
1 1 1 0  13 7  o 67.6917 2.12225 25.1002      2.20226  25.1002      2.20226  1.49032     270         24.4067     270         
1 1 1 0  13 8  f 28.0798 2.86266 4.55428      1.16311  4.55428      1.16311  17.1244     89.9999     0           0           
1 1 1 0  13 9  o 176.757 1.97707 170.269      5.37828  170.269      5.37828  186.233     270         55.5034     270         
1 1 1 0  13 10 o 10.0155 4.03148 0.705276     0.969837 0.705276     0.969837 50.8915     270         103.153     270         
1 1 1 0  13 11 o 345.92  2.13381 651.846      11.3644  651.846      11.3644  287.94      270         46.4321     90          
1 1 1 0  13 12 o 137.227 2.01655 102.691      4.25713  102.691      4.25713  81.2142     270         84.1838     90          
1 1 1 0  13 13 o 468.537 2.16292 1195.83      15.6039  1195.83      15.6039  473.317     270         104.929     270         
1 1 1 0  13 14 o 240.808 1.98245 315.958      7.34903  315.958      7.34903  265.237     270         98.2202     270         
1 1 1 0  13 15 o 54.2383 2.1637  16.1764      1.79389  16.1764      1.79389  2.85125     90          60.0868     270         
1 1 1 0  13 16 o 72.8723 2.00722 29.0563      2.24464  29.0563      2.24464  43.1703     270         6.03362     270         
1 1 1 0  13 17 o 13.8089 4.55269 1.5206       1.07746  1.5206       1.07746  20.3939     270         43.0596     270         
1 1 1 0  13 18 o 201.495 1.87389 221.259      5.81205  221.259      5.81205  239.792     90          119.268     90          
1 1 1 0  13 19 o 413.393 1.88061 930.986      11.9705  930.986      11.9705  363.993     90          10.4416     270         
1 1 1 0  13 20 o 6.88539 3.26619 -0.386501    0.972562 -0.386501    0.972562 22.9637     90.0001     46.5594     90.0001     
1 1 1 0  13 21 o 190.002 1.88511 196.776      5.51306  196.776      5.51306  170.825     90          3.0596      90          
1 1 1 0  13 22 o 386.745 1.88725 814.937      11.2382  814.937      11.2382  396.808     90          105.304     90          
1 1 1 0  13 23 o 74.7665 2.09959 30.602       2.40863  30.602       2.40863  25.4444     90.0002     15.6415     90.0002     
1 1 1 0  13 24 o 87.2242 2.06852 41.5941      2.77126  41.5941      2.77126  53.0001     270         48.6611     90          
1 1 1 0  13 25 o 106.335 2.00692 61.7405      3.28092  61.7405      3.28092  83.1747     270         22.1076     90          
1 1 1 0  13 26 o 277.743 1.90184 420.413      8.13232  420.413      8.13232  318.443     90          145.376     90          
1 1 1 0  13 27 o 163.682 1.94839 146.108      4.9078   146.108      4.9078   141.636     270         5.93442     90          
1 1 1 0  13 28 o 13.4672 5.03964 1.43259      1.40046  1.43259      1.40046  9.62366     89.9999     21.1804     89.9999     
1 1 1 0  13 29 o 212.8   2.20904 247.017      7.23526  247.017      7.23526  245.42      90          116.093     90          
1 1 1 0  13 30 f 54.1029 2.86982 16.2423      2.35925  16.2423      2.35925  66.0338     90          0           0           
1 1 1 0  13 31 o 21.9812 5.70377 3.53753      1.78286  3.53753      1.78286  0.00691705  89.9833     0.0355071   89.9833     
1 1 1 0  13 32 o 53.0374 2.90268 15.6395      2.33713  15.6395      2.33713  50.885      90          14.4655     90          
1 1 1 0  13 33 o 120.795 2.95512 80.0584      5.48189  80.0584      5.48189  157.242     270         103.324     270         
1 1 1 0  13 34 o 182.159 2.80844 181.721      7.86937  181.721      7.86937  166.99      270         16.174      270         
1 1 1 0  13 35 o 123.349 2.03836 83.1979      3.86696  83.1979      3.86696  131.175     270         47.5884     270         
1 1 1 0  13 36 o 29.9773 3.89893 5.40854      1.62027  5.40854      1.62027  0.91594     89.999      0.180786    89.999      
1 1 1 0  13 37 o 20.2142 5.24245 3.01855      1.50656  3.01855      1.50656  2.6748      90          13.9066     270         
1 1 1 0  13 38 o 53.867  2.57736 16.127       2.11508  16.127       2.11508  49.2029     90          5.22549     90          
1 1 1 0  13 39 o 9.06614 4.13477 0.0276605    1.33899  0.0276605    1.33899  1.95138     89.9999     5.08005     89.9999     
1 1 1 0  13 40 o 31.8772 4.54026 6.2861       1.97532  6.2861       1.97532  23.2039     270         8.0393      90          
1 1 1 0  13 41 o 34.3841 3.61296 6.96614      1.78888  6.96614      1.78888  31.4428     270         4.24454     270         
1 1 1 0  13 42 o 65.9427 2.43126 24.1041      2.45339  24.1041      2.45339  63.2495     90          13.5058     90          
1 1 1 0  13 43 o 137.754 2.21628 104.44       4.69582  104.44       4.69582  131.886     90          28.3237     90          
1 1 1 0  13 44 o 17.5233 5.58052 2.55124      1.61332  2.55124      1.61332  9.93104     90          6.28588     270         
1 1 1 0  13 45 o 11.4734 4.84356 0.876999     1.51304  0.876999     1.51304  4.75736     90          23.6336     90          
1 1 1 0  13 46 o 65.5342 2.54166 24.0041      2.54717  24.0041      2.54717  57.228      90          3.32814     90          
1 1 1 0  13 47 o 21.7451 5.62295 3.63247      1.73592  3.63247      1.73592  11.0923     90          13.2072     270         
1 1 1 0  13 48 o 59.2495 3.08493 20.0185      2.77877  20.0185      2.77877  74.8791     270         49.8461     270         
1 1 1 0  13 49 o 46.6148 3.6666  12.8514      2.5487   12.8514      2.5487   54.4081     270         30.438      270         
1 1 1 0  13 50 o 37.29   5.46765 9.26333      2.77013  9.26333      2.77013  40.4198     270         18.3323     270         
1 1 1 0  13 51 f 12.7098 5.54029 1.14843      2.11923  1.14843      2.11923  11.4242     90          0           0           
1 1 1 0  13 52 o 12.2967 5.52128 0.867803     2.27509  0.867803     2.27509  1.25746     270         3.2247      89.9999     
1 1 1 0  13 53 o 42.7182 3.9455  11.2581      2.47298  11.2581      2.47298  38.2353     270         5.50505     270         
1 1 1 0  13 54 o 13.5987 5.51117 1.76996      1.82998  1.76996      1.82998  7.32144     270         0.769687    90          
1 1 1 0  13 55 o 22.9076 6.09284 4.50831      2.00917  4.50831      2.00917  19.7726     270         2.12858     270         
1 1 1 0  13 56 o 23.4478 6.54521 5.02423      2.27178  5.02423      2.27178  17.3818     270         3.65726     90          
1 1 1 0  13 57 o 30.9323 5.76438 7.21039      2.37218  7.21039      2.37218  33.6672     90          27.1544     90          
1 1 1 0  13 58 o 33.0526 5.4114  7.89819      2.39623  7.89819      2.39623  30.4861     270         7.1474      270         
1 1 1 0  13 59 o 13.5228 5.73782 2.00874      2.14433  2.00874      2.14433  3.38665     90          4.01547     270         
1 1 1 0  13 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  14 0  o 306.775 2.59599 512.71       12.2595  512.71       12.2595  406.811     360         265.866     360         
1 1 1 0  14 1  o 78.7299 1.91665 33.8745      2.3174   33.8745      2.3174   21.098      360         33.0577     180         
1 1 1 0  14 2  o 252.986 1.83146 348.64       7.13317  348.64       7.13317  321.502     360         189.151     360         
1 1 1 0  14 3  o 18.3403 3.75761 2.2378       0.920722 2.2378       0.920722 3.2563      0.000178195 6.8248      0.000178195 
1 1 1 0  14 4  o 450.005 1.85799 1102.89      12.8741  1102.89      12.8741  501.601     360         196.063     360         
1 1 1 0  14 5  o 460.207 1.85724 1153.47      13.1607  1153.47      13.1607  372.568     180         80.0807     8.63455e-06 
1 1 1 0  14 6  o 452.097 1.85985 1113.19      12.9469  1113.19      12.9469  484.191     360         157.971     360         
1 1 1 0  14 7  f 243.91  1.83567 324.093      6.89291  324.093      6.89291  248.114     3.01351e-07 0           0           
1 1 1 0  14 8  o 155.837 2.12856 132.416      5.10366  132.416      5.10366  198.362     5.41206e-06 122.796     5.41206e-06 
1 1 1 0  14 9  o 335.781 2.1175  614.239      10.9469  614.239      10.9469  244.896     1.26134e-06 111.313     180         
1 1 1 0  14 10 o 26.1105 3.34397 4.06023      1.21377  4.06023      1.21377  35.6682     180         83.8093     180         
1 1 1 0  14 11 o 387.833 1.96767 819.361      11.75    819.361      11.75    335.983     2.07554e-06 21.4986     180         
1 1 1 0  14 12 o 292.978 2.11314 467.696      9.53127  467.696      9.53127  320.352     180         117.203     180         
1 1 1 0  14 13 o 131.863 2.01337 94.8426      4.08394  94.8426      4.08394  49.1243     180         137.193     360         
1 1 1 0  14 14 f 50.8409 2.34158 14.2602      1.81512  14.2602      1.81512  9.3005      2.97765e-07 0           0           
1 1 1 0  14 15 o 311.667 1.86048 529.195      8.9276   529.195      8.9276   270.381     180         14.7975     8.71411e-06 
1 1 1 0  14 16 o 154.064 1.8799  129.403      4.45689  129.403      4.45689  174.539     0           74.7355     0           
1 1 1 0  14 17 o 59.8523 2.11244 19.6613      1.93584  19.6613      1.93584  25.415      180         5.95012     360         
1 1 1 0  14 18 o 95.8532 1.95624 50.1766      2.88203  50.1766      2.88203  33.8268     180         25.4862     180         
1 1 1 0  14 19 o 43.401  2.41314 10.4538      1.58918  10.4538      1.58918  0.246696    180         4.40146     360         
1 1 1 0  14 20 f 112.035 1.94462 68.5047      3.35031  68.5047      3.35031  83.5172     180         0           0           
1 1 1 0  14 21 o 129.126 1.92679 90.9588      3.82738  90.9588      3.82738  122.891     3.89593e-06 17.0952     3.89594e-06 
1 1 1 0  14 22 o 24.2446 4.522   3.80602      1.45857  3.80602      1.45857  2.81192     8.63972e-06 7.83155     8.63972e-06 
1 1 1 0  14 23 o 9.25452 4.08668 0.272139     1.19063  0.272139     1.19063  14.5016     180         30.1791     180         
1 1 1 0  14 24 o 80.6449 2.11814 35.5868      2.62215  35.5868      2.62215  89.42       0           61.6932     0           
1 1 1 0  14 25 o 181.494 1.92796 179.602      5.38553  179.602      5.38553  256.106     180         192.506     180         
1 1 1 0  14 26 o 257.365 1.90308 361.04       7.54032  361.04       7.54032  252.418     180         52.1615     180         
1 1 1 0  14 27 o 7.46019 3.59183 -0.732328    1.26478  -0.732328    1.26478  20.3906     360         41.9805     360         
1 1 1 0  14 28 o 48.3755 2.71857 13.0063      1.99484  13.0063      1.99484  13.5625     180         55.9424     8.65119e-06 
1 1 1 0  14 29 o 13.3032 5.22008 1.33199      1.57418  1.33199      1.57418  31.9567     180         73.9774     180         
1 1 1 0  14 30 o 174.606 2.71332 166.682      7.28745  166.682      7.28745  118.512     180         68.0544     8.65146e-06 
1 1 1 0  14 31 o 92.8711 2.96797 47.4253      4.22473  47.4253      4.22473  120.507     180         79.4        180         
1 1 1 0  14 32 o 10.7803 4.69361 0.504678     1.51675  0.504678     1.51675  3.84644     360         8.52294     360         
1 1 1 0  14 33 o 56.3289 4.03908 17.9617      3.41424  17.9617      3.41424  24.3315     360         49.1673     180         
1 1 1 0  14 34 o 40.4119 3.30657 9.30595      1.98605  9.30595      1.98605  3.57388     180         77.1342     180         
1 1 1 0  14 35 o 32.4746 3.58355 6.19766      1.66196  6.19766      1.66196  22.9574     180         1.00907     180         
1 1 1 0  14 36 o 62.1493 2.37644 21.3275      2.25903  21.3275      2.25903  63.6172     180         19.9147     180         
1 1 1 0  14 37 o 31.2367 4.45805 6.01095      1.89996  6.01095      1.89996  28.3924     4.5776e-06  5.91446     4.5776e-06  
1 1 1 0  14 38 o 83.0477 2.21094 37.9408      2.81834  37.9408      2.81834  86.436      180         30.0885     180         
1 1 1 0  14 39 o 17.7468 5.36865 2.51296      1.49734  2.51296      1.49734  3.25144     180         15.2772     8.65142e-06 
1 1 1 0  14 40 o 8.26197 3.89342 -0.372582    1.34226  -0.372582    1.34226  13.0388     360         32.4068     360         
1 1 1 0  14 41 o 43.325  2.95093 10.648       1.92406  10.648       1.92406  32.3298     4.13439e-06 9.30675     180         
1 1 1 0  14 42 o 114.639 2.11633 72.3108      3.73022  72.3108      3.73022  104.905     180         14.573      180         
1 1 1 0  14 43 o 61.0833 2.54353 20.8091      2.37331  20.8091      2.37331  38.7711     180         26.2249     360         
1 1 1 0  14 44 o 68.2097 2.44853 25.8994      2.55662  25.8994      2.55662  55.8696     180         3.83581     8.65266e-06 
1 1 1 0  14 45 o 8.05548 3.87054 -0.67852     1.45318  -0.67852     1.45318  0.628438    360         1.74912     360         
1 1 1 0  14 46 f 11.0181 4.77163 0.697419     1.54843  0.697419     1.54843  22.3737     180         0           0           
1 1 1 0  14 47 o 46.8039 3.48402 12.7755      2.4413   12.7755      2.4413   48.9977     1.50291e-06 19.3306     1.50291e-06 
1 1 1 0  14 48 o 11.2771 4.88634 0.796916     1.6257   0.796916     1.6257   0.613037    8.65017e-06 9.07828     8.65017e-06 
1 1 1 0  14 49 o 20.0798 6.47102 3.66854      2.17072  3.66854      2.17072  11.6848     180         9.42742     8.64972e-06 
1 1 1 0  14 50 o 19.291  6.69834 3.59873      2.3662   3.59873      2.3662   13.9473     1.51708e-06 2.55089     180         
1 1 1 0  14 51 o 38.308  4.01311 9.08812      2.21485  9.08812      2.21485  46.7034     3.17084e-07 29.8512     3.17084e-07 
1 1 1 0  14 52 o 15.0189 5.93333 2.21135      2.05018  2.21135      2.05018  6.25015     0           0.683764    0           
1 1 1 0  14 53 f 12.1003 5.42204 0.961047     2.18113  0.961047     2.18113  8.34339     360         0           0           
1 1 1 0  14 54 o 9.32115 4.42531 -0.222134    1.79216  -0.222134    1.79216  0.0462728   360         1.08309     180         
1 1 1 0  14 55 o 10.7522 4.94964 0.47884      1.98055  0.47884      1.98055  1.28014     180         3.75665     360         
1 1 1 0  14 56 o 7.351   3.70182 -2.02787     1.8337   -2.02787     1.8337   3.53111     8.65148e-06 11.1822     8.65148e-06 
1 1 1 0  14 57 o 18.1263 6.24523 3.40839      2.05089  3.40839      2.05089  3.73962     180         0.342837    180         
1 1 1 0  14 58 o 10.1816 4.75674 0.326044     1.93325  0.326044     1.93325  0.16566     9.18009e-06 1.49464     9.18008e-06 
1 1 1 0  14 59 o 14.4844 5.84167 2.43162      2.04184  2.43162      2.04184  4.91901     1.73142e-06 12.2111     180         
1 1 1 0  15 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  15 1  f 329.841 1.84178 592.619      9.3534   592.619      9.3534   304.271     90          0           0           
1 1 1 0  15 2  o 122.429 1.85913 81.7444      3.50131  81.7444      3.50131  116.905     270         17.7509     270         
1 1 1 0  15 3  o 290.727 1.83717 460.429      8.22332  460.429      8.22332  233.132     90          51.8848     270         
1 1 1 0  15 4  o 152.178 1.84555 126.234      4.32193  126.234      4.32193  159.884     90          135.824     90          
1 1 1 0  15 5  o 267.9   1.83288 390.986      7.5597   390.986      7.5597   317.595     90          157.951     90          
1 1 1 0  15 6  o 203.887 1.83435 226.512      5.75711  226.512      5.75711  236.452     270         109.819     270         
1 1 1 0  15 7  o 220.02  1.95329 263.791      6.61552  263.791      6.61552  214.786     90          37.904      90          
1 1 1 0  15 8  o 239.459 2.13336 312.495      7.86376  312.495      7.86376  258.485     270         90.8864     270         
1 1 1 0  15 9  o 13.0184 4.36563 1.35575      0.994138 1.35575      0.994138 75.8742     270         158.37      270         
1 1 1 0  15 10 o 294.108 2.10832 471.34       9.54625  471.34       9.54625  217.126     90          88.5128     270         
1 1 1 0  15 11 o 201.904 2.1199  222.215      6.5877   222.215      6.5877   260.542     270         162.436     270         
1 1 1 0  15 12 o 93.3057 2.08116 47.5671      2.98347  47.5671      2.98347  50.6081     90          64.0349     270         
1 1 1 0  15 13 o 125.498 2.0249  85.9304      3.90858  85.9304      3.90858  165.209     270         123.423     270         
1 1 1 0  15 14 o 11.9434 4.24947 1.14381      0.962999 1.14381      0.962999 11.3449     90          23.6684     90          
1 1 1 0  15 15 o 7.9123  3.52614 0.147991     0.908402 0.147991     0.908402 5.03143     270         10.2445     270         
1 1 1 0  15 16 o 26.7089 3.28147 4.22373      1.22766  4.22373      1.22766  14.6344     270         38.6597     270         
1 1 1 0  15 17 o 129.702 1.90715 91.7637      3.80537  91.7637      3.80537  151.608     270         74.7419     270         
1 1 1 0  15 18 o 21.9935 4.17453 3.14647      1.22161  3.14647      1.22161  48.387      90          115.136     90          
1 1 1 0  15 19 o 355.034 1.87412 686.816      10.2448  686.816      10.2448  350.49      270         74.7857     270         
1 1 1 0  15 20 o 194.12  2.01914 205.451      6.03272  205.451      6.03272  159.816     90          22.3518     270         
1 1 1 0  15 21 o 202.286 1.88756 223.057      5.87743  223.057      5.87743  285.941     270         215.942     270         
1 1 1 0  15 22 o 6.18595 3.06902 -1.20151     1.11338  -1.20151     1.11338  90.287      270         183.743     270         
1 1 1 0  15 23 o 53.3759 2.39457 15.7162      1.94978  15.7162      1.94978  24.1674     270         7.31911     270         
1 1 1 0  15 24 o 14.0211 5.00153 1.58092      1.33582  1.58092      1.33582  10.3558     90          22.9622     90          
1 1 1 0  15 25 o 215.671 1.91129 253.591      6.34531  253.591      6.34531  160.798     270         55.8306     90          
1 1 1 0  15 26 o 7.64589 3.6497  -0.584582    1.25049  -0.584582    1.25049  32.1869     270         66.644      270         
1 1 1 0  15 27 o 141.82  2.29439 109.854      5.00473  109.854      5.00473  171.871     270         96.3192     270         
1 1 1 0  15 28 o 16.4634 5.59594 2.19024      1.63932  2.19024      1.63932  29.4658     270         75.8368     270         
1 1 1 0  15 29 o 140.964 2.27828 108.586      4.93962  108.586      4.93962  127.337     90          9.55969     90          
1 1 1 0  15 30 o 27.2281 5.16752 4.85176      1.8721   4.85176      1.8721   0.989822    270         9.3076      89.9999     
1 1 1 0  15 31 o 77.2237 2.49604 32.7827      2.95402  32.7827      2.95402  77.6438     90          21.5507     90          
1 1 1 0  15 32 o 98.7405 2.69371 53.5622      4.0819   53.5622      4.0819   90.605      270         10.4442     270         
1 1 1 0  15 33 o 57.0993 2.69456 18.0817      2.34465  18.0817      2.34465  49.0744     270         0.319664    90          
1 1 1 0  15 34 o 62.4234 3.52064 21.8437      3.3332   21.8437      3.3332   35.3289     90          36.878      270         
1 1 1 0  15 35 o 117.405 2.20045 75.5778      3.9719   75.5778      3.9719   94.9502     270         11.9388     90          
1 1 1 0  15 36 o 31.8008 3.65493 5.99781      1.64797  5.99781      1.64797  28.0228     270         3.26125     270         
1 1 1 0  15 37 o 10.0853 4.40306 0.454494     1.34346  0.454494     1.34346  2.21157     90          6.34894     90          
1 1 1 0  15 38 o 10.9644 4.62599 0.749306     1.37863  0.749306     1.37863  4.69473     90          15.327      90          
1 1 1 0  15 39 o 27.2744 4.44018 4.73634      1.62337  4.73634      1.62337  9.60844     270         27.0379     90          
1 1 1 0  15 40 o 103.784 2.13535 59.2596      3.4061   59.2596      3.4061   89.2423     270         2.03433     270         
1 1 1 0  15 41 o 21.7496 5.34811 3.48136      1.61755  3.48136      1.61755  15.1865     90          4.79486     270         
1 1 1 0  15 42 f 19.4444 5.47611 2.97459      1.58527  2.97459      1.58527  5.52898     89.9999     0           0           
1 1 1 0  15 43 o 64.5421 2.50642 23.238       2.47378  23.238       2.47378  56.8088     270         4.69216     270         
1 1 1 0  15 44 o 50.6484 2.83827 14.5303      2.18073  14.5303      2.18073  45.2699     90          5.28237     90          
1 1 1 0  15 45 o 41.8951 3.42811 10.2383      2.13462  10.2383      2.13462  35.5134     90          0.690964    90          
1 1 1 0  15 46 o 34.1142 4.57171 7.3353       2.15057  7.3353       2.15057  29.5451     90          2.01632     90          
1 1 1 0  15 47 o 23.3589 5.61434 4.13914      1.80949  4.13914      1.80949  15.389      270         7.6176      90          
1 1 1 0  15 48 o 78.1202 2.67736 34.503       3.20344  34.503       3.20344  87.7613     270         45.4477     270         
1 1 1 0  15 49 o 16.9902 6.22556 2.77775      2.10368  2.77775      2.10368  8.92443     270         3.03625     270         
1 1 1 0  15 50 o 19.8827 6.13723 3.54091      1.95254  3.54091      1.95254  9.89321     270         5.24722     270         
1 1 1 0  15 51 o 29.9312 5.35218 6.31979      2.13305  6.31979      2.13305  31.1291     90          12.964      90          
1 1 1 0  15 52 o 9.48233 4.45495 -0.0715282   1.73492  -0.0715282   1.73492  0.55969     270         8.45248     90          
1 1 1 0  15 53 o 12.2161 5.55972 0.914875     2.40452  0.914875     2.40452  3.5131      270         3.12932     90          
1 1 1 0  15 54 o 7.33135 3.71215 -2.46499     1.94488  -2.46499     1.94488  0.143919    270         0.54939     270         
1 1 1 0  15 55 o 14.867  5.8015  2.32757      1.93215  2.32757      1.93215  6.13637     90          0.217544    270         
1 1 1 0  15 56 o 15.3657 5.91546 2.52059      1.98006  2.52059      1.98006  3.82406     270         3.9744      90          
1 1 1 0  15 57 o 18.3641 6.46185 3.69317      2.21466  3.69317      2.21466  10.0917     90          1.10282     90          
1 1 1 0  15 58 o 10.2769 4.85368 0.291832     2.10608  0.291832     2.10608  0.0972472   89.9995     0.43303     269.999     
1 1 1 0  15 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  16 0  o 95.5196 2.66512 49.9278      3.90622  49.9278      3.90622  52.8188     4.96162e-06 41.7998     180         
1 1 1 0  16 1  o 123.47  1.99295 83.1693      3.78475  83.1693      3.78475  88.7595     180         41.018      8.7575e-06  
1 1 1 0  16 2  o 10.613  3.92356 0.891592     0.840873 0.891592     0.840873 10.5407     8.95e-06    21.7518     8.95e-06    
1 1 1 0  16 3  o 203.684 1.83917 226.078      5.76644  226.078      5.76644  217.687     3.17005e-06 74.8969     3.17005e-06 
1 1 1 0  16 4  o 378.968 1.84996 782.356      10.7946  782.356      10.7946  389.423     180         108.291     180         
1 1 1 0  16 5  o 342.776 1.97194 640.139      10.4071  640.139      10.4071  383.238     180         160.12      180         
1 1 1 0  16 6  o 249.632 1.97126 339.574      7.57551  339.574      7.57551  235.596     180         29.7484     180         
1 1 1 0  16 7  o 145.024 2.16361 114.732      4.82695  114.732      4.82695  155.779     180         55.2516     180         
1 1 1 0  16 8  o 297.363 2.12266 481.868      9.71756  481.868      9.71756  232.257     3.19782e-07 60.9002     180         
1 1 1 0  16 9  o 198.95  1.95742 215.737      5.99415  215.737      5.99415  226.092     360         100.834     360         
1 1 1 0  16 10 o 147.841 2.1591  119.233      4.91065  119.233      4.91065  97.7338     6.61623e-07 65.4757     180         
1 1 1 0  16 11 o 36.0281 2.68618 7.30715      1.44873  7.30715      1.44873  21.2771     180         78.9394     180         
1 1 1 0  16 12 o 24.9726 3.24951 3.72531      1.12485  3.72531      1.12485  62.9129     180         152.404     180         
1 1 1 0  16 13 o 50.3584 2.20374 13.9757      1.69376  13.9757      1.69376  5.066       8.64221e-06 85.9801     8.6422e-06  
1 1 1 0  16 14 o 158.176 1.85255 136.41       4.50955  136.41       4.50955  157.105     180         35.819      180         
1 1 1 0  16 15 o 52.9063 2.19289 15.4086      1.77237  15.4086      1.77237  18.8098     180         17.0212     8.6118e-06  
1 1 1 0  16 16 o 6.18075 2.99034 -0.585366    0.899935 -0.585366    0.899935 32.9007     180         66.6808     180         
1 1 1 0  16 17 o 108.852 1.93863 64.6778      3.24487  64.6778      3.24487  94.7424     180         1.52481     8.66299e-06 
1 1 1 0  16 18 o 26.5089 3.55686 4.22171      1.29989  4.22171      1.29989  5.80473     8.67179e-06 20.1373     8.67179e-06 
1 1 1 0  16 19 o 60.0492 2.17786 19.8052      2.00169  19.8052      2.00169  47.2105     3.59713e-07 16.6901     3.59712e-07 
1 1 1 0  16 20 o 132.232 2.06612 95.4192      4.20243  95.4192      4.20243  103.97      360         23.3855     180         
1 1 1 0  16 21 o 90.6111 2.02482 44.8742      2.81886  44.8742      2.81886  54.7747     180         48.7554     8.6515e-06  
1 1 1 0  16 22 o 136.022 1.95377 100.946      4.08853  100.946      4.08853  114.862     180         7.63972     8.65164e-06 
1 1 1 0  16 23 o 33.577  4.72981 6.84756      2.17141  6.84756      2.17141  0.487377    6.04649e-06 27.716      180         
1 1 1 0  16 24 o 20.3317 5.47505 3.06845      1.61309  3.06845      1.61309  49.639      180         126.506     180         
1 1 1 0  16 25 o 69.1039 2.28855 26.2119      2.42309  26.2119      2.42309  77.3528     360         56.0637     360         
1 1 1 0  16 26 o 10.4785 4.4844  0.571046     1.33279  0.571046     1.33279  22.8122     180         50.1745     180         
1 1 1 0  16 27 o 122.376 2.13917 81.8342      4.0256   81.8342      4.0256   139.972     3.26432e-06 67.9376     3.26432e-06 
1 1 1 0  16 28 o 12.9057 5.09949 1.24487      1.5148   1.24487      1.5148   14.872      8.65083e-06 34.5962     8.65083e-06 
1 1 1 0  16 29 o 56.6698 2.80919 17.8137      2.42328  17.8137      2.42328  40.389      180         16.556      8.65148e-06 
1 1 1 0  16 30 o 30.1773 4.30683 5.5666       1.77326  5.5666       1.77326  3.10551     180         39.1203     8.65164e-06 
1 1 1 0  16 31 o 168.213 2.7989  155.163      7.24091  155.163      7.24091  149.922     180         10.4248     180         
1 1 1 0  16 32 o 95.1166 2.62817 49.7611      3.83608  49.7611      3.83608  70.4912     180         22.3657     8.6514e-06  
1 1 1 0  16 33 o 91.454  2.2572  45.9252      3.17     45.9252      3.17     78.3177     2.42788e-06 0.120438    180         
1 1 1 0  16 34 o 20.111  5.59341 3.09752      1.66132  3.09752      1.66132  6.56559     0           7.5927      180         
1 1 1 0  16 35 o 153.163 2.34052 128.763      5.51439  128.763      5.51439  132.96      1.66017e-06 4.4483      1.66016e-06 
1 1 1 0  16 36 o 10.7627 4.66696 0.575277     1.48554  0.575277     1.48554  4.4149      180         13.658      180         
1 1 1 0  16 37 o 16.2095 5.27141 2.15809      1.44174  2.15809      1.44174  1.5683      180         5.52333     8.64958e-06 
1 1 1 0  16 38 o 28.2522 4.49159 5.06065      1.70543  5.06065      1.70543  9.29593     360         6.25924     360         
1 1 1 0  16 39 o 37.6397 3.27418 8.19485      1.82083  8.19485      1.82083  18.2286     2.51782e-06 27.2377     180         
1 1 1 0  16 40 o 21.8876 5.5203  3.5757       1.69682  3.5757       1.69682  18.7229     360         7.81        360         
1 1 1 0  16 41 o 19.8637 5.48559 3.0815       1.60222  3.0815       1.60222  11.3786     180         4.38836     180         
1 1 1 0  16 42 o 10.7767 4.68084 0.628661     1.50013  0.628661     1.50013  0.498149    180         2.75711     180         
1 1 1 0  16 43 o 55.6141 2.67512 17.4001      2.26623  17.4001      2.26623  52.5737     180         11.9458     180         
1 1 1 0  16 44 o 23.4371 5.75932 4.14477      1.87663  4.14477      1.87663  13.1303     360         11.8828     180         
1 1 1 0  16 45 f 10.8463 4.85775 0.457539     1.74827  0.457539     1.74827  6.9497      180         0           0           
1 1 1 0  16 46 o 7.3992  3.66364 -1.40846     1.56355  -1.40846     1.56355  1.22122     180         3.43589     180         
1 1 1 0  16 47 o 41.4504 3.69797 10.316       2.2584   10.316       2.2584   48.4189     1.05e-06    28.1142     1.05e-06    
1 1 1 0  16 48 o 32.6213 5.34861 7.24957      2.33719  7.24957      2.33719  14.0773     0           25.7819     180         
1 1 1 0  16 49 o 13.2086 5.37885 1.55227      1.75555  1.55227      1.75555  0.247047    360         0.229547    180         
1 1 1 0  16 50 o 6.85528 3.44998 -1.91674     1.5833   -1.91674     1.5833   3.33478     8.65127e-06 10.2378     8.65128e-06 
1 1 1 0  16 51 o 11.7326 5.16259 0.98299      1.88289  0.98299      1.88289  0.508673    180         0.13367     360         
1 1 1 0  16 52 o 12.9162 5.51039 1.50332      1.99948  1.50332      1.99948  3.43307     180         0.914825    8.65155e-06 
1 1 1 0  16 53 o 7.1935  3.64164 -2.38253     1.86802  -2.38253     1.86802  0.294102    180         1.06443     180         
1 1 1 0  16 54 o 16.0237 6.54234 2.94465      2.60746  2.94465      2.60746  7.10112     180         9.68327     360         
1 1 1 0  16 55 o 14.2719 6.0554  2.15622      2.38806  2.15622      2.38806  0.113175    180         0.169603    360         
1 1 1 0  16 56 o 30.8276 5.3819  6.99991      2.21161  6.99991      2.21161  30.7902     180         12.3034     180         
1 1 1 0  16 57 o 34.9861 4.99669 8.74225      2.38486  8.74225      2.38486  32.8804     1.82615e-06 9.51406     1.82615e-06 
1 1 1 0  16 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  17 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  17 1  o 29.1851 2.68699 4.87259      1.15108  4.87259      1.15108  1.15241     269.999     3.3162      269.999     
1 1 1 0  17 2  o 384.583 1.85588 805.785      10.9896  805.785      10.9896  467.192     90          258.717     90          
1 1 1 0  17 3  o 69.5509 1.96292 26.4775      2.09467  26.4775      2.09467  39.876      90          32.2317     270         
1 1 1 0  17 4  f 76.6745 1.94893 32.1502      2.29436  32.1502      2.29436  21.973      270         0           0           
1 1 1 0  17 5  o 207.652 1.97364 235.03       6.30835  235.03       6.30835  198.107     90          31.6215     90          
1 1 1 0  17 6  o 11.079  4.24867 0.94495      1.01748  0.94495      1.01748  44.1752     270         91.4911     270         
1 1 1 0  17 7  o 74.1797 2.13048 30.1286      2.42448  30.1286      2.42448  24.3923     90          79.2254     270         
1 1 1 0  17 8  o 262.246 1.9676  374.793      7.94373  374.793      7.94373  250.007     90          40.0979     90          
1 1 1 0  17 9  o 5.83997 2.83668 -0.587392    0.828146 -0.587392    0.828146 47.4617     90          95.856      90          
1 1 1 0  17 10 o 8.85094 3.7548  0.431832     0.917922 0.431832     0.917922 18.9127     270         38.7486     270         
1 1 1 0  17 11 o 43.4032 2.38148 10.4506      1.56905  10.4506      1.56905  1.35386     90.0001     5.93949     270         
1 1 1 0  17 12 o 87.1712 1.97557 41.5277      2.64572  41.5277      2.64572  60.0863     270         31.7191     90          
1 1 1 0  17 13 f 20.7425 3.96328 2.804        1.09395  2.804        1.09395  6.06988     270         0           0           
1 1 1 0  17 14 o 40.9856 2.59038 9.37436      1.60341  9.37436      1.60341  0.295811    270         55.1737     90          
1 1 1 0  17 15 o 7.30651 3.39282 -0.16628     0.960588 -0.16628     0.960588 12.97       90          26.5863     90          
1 1 1 0  17 16 o 59.966  2.32767 19.7755      2.13449  19.7755      2.13449  46.3565     270         16.1825     270         
1 1 1 0  17 17 o 235.115 1.8559  301.286      6.71742  301.286      6.71742  190.397     270         28.7999     90          
1 1 1 0  17 18 o 33.9689 2.83834 6.55108      1.43027  6.55108      1.43027  0.145861    270         17.3489     90          
1 1 1 0  17 19 o 11.6837 4.64368 0.996599     1.26527  0.996599     1.26527  19.301      270         41.2794     270         
1 1 1 0  17 20 o 94.9002 2.35449 49.2808      3.43114  49.2808      3.43114  113.484     90          64.2859     90          
1 1 1 0  17 21 o 13.0659 4.81898 1.35967      1.26628  1.35967      1.26628  5.53748     270         12.2802     270         
1 1 1 0  17 22 o 67.612  2.20057 25.0808      2.28003  25.0808      2.28003  31.0202     90          55.0028     270         
1 1 1 0  17 23 o 229.425 1.89811 287.024      6.70374  287.024      6.70374  217.852     90          38.8543     90          
1 1 1 0  17 24 o 72.6597 2.15738 28.9434      2.40414  28.9434      2.40414  80.5815     270         36.4507     270         
1 1 1 0  17 25 o 62.7607 2.2676  21.6574      2.17839  21.6574      2.17839  69.6919     270         36.2282     270         
1 1 1 0  17 26 f 13.8355 4.98994 1.5458       1.3379   1.5458       1.3379   35.5919     90          0           0           
1 1 1 0  17 27 o 15.481  5.81144 1.91761      1.86708  1.91761      1.86708  2.96801     270         7.6684      270         
1 1 1 0  17 28 o 144.937 2.25942 114.89       5.03721  114.89       5.03721  162.238     90          75.6584     90          
1 1 1 0  17 29 o 94.5436 2.10182 48.9573      3.05312  48.9573      3.05312  96.6753     90          31.3185     90          
1 1 1 0  17 30 o 9.18082 4.22582 -0.101007    1.44309  -0.101007    1.44309  13.2474     90          29.9314     90          
1 1 1 0  17 31 o 182.649 2.0928  182.512      5.8827   182.512      5.8827   165.978     90          20.0367     90          
1 1 1 0  17 32 o 8.35014 3.89281 -0.236753    1.28396  -0.236753    1.28396  4.11538     270         9.91472     270         
1 1 1 0  17 33 o 102.166 2.35495 57.3856      3.69598  57.3856      3.69598  85.4635     270         2.88646     90          
1 1 1 0  17 34 o 97.2996 2.42484 52.1342      3.62291  52.1342      3.62291  81.3399     90          2.52635     270         
1 1 1 0  17 35 o 91.3136 2.32759 45.9344      3.26323  45.9344      3.26323  104.063     90          53.4015     90          
1 1 1 0  17 36 o 39.2206 3.99151 9.06998      2.26582  9.06998      2.26582  18.1852     270         29.9453     90          
1 1 1 0  17 37 o 16.452  5.51309 2.26064      1.58515  2.26064      1.58515  0.553002    270         0.668379    90          
1 1 1 0  17 38 o 17.8829 5.41427 2.57861      1.52273  2.57861      1.52273  0.790825    270         0.0932367   270         
1 1 1 0  17 39 o 9.26665 4.23337 0.053074     1.41148  0.053074     1.41148  2.71478     90          11.5617     90          
1 1 1 0  17 40 o 28.6935 4.39419 5.22516      1.70244  5.22516      1.70244  22.5238     270         2.87281     90          
1 1 1 0  17 41 o 128.852 2.07981 91.5816      4.12187  91.5816      4.12187  136.277     270         57.1511     270         
1 1 1 0  17 42 o 6.22284 3.14746 -2.03876     1.38293  -2.03876     1.38293  3.45449     270         8.10224     270         
1 1 1 0  17 43 o 17.5296 5.58887 2.60911      1.61822  2.60911      1.61822  7.03227     270         3.49767     90          
1 1 1 0  17 44 o 18.5144 6.03172 3.01187      1.88802  3.01187      1.88802  9.97637     270         1.08971     90          
1 1 1 0  17 45 o 18.3461 6.07484 3.02727      1.91983  3.02727      1.91983  2.49262     90          24.816      270         
1 1 1 0  17 46 o 41.9255 3.34663 10.3901      2.0898   10.3901      2.0898   49.1796     90          29.173      90          
1 1 1 0  17 47 o 9.35477 4.46308 -0.486407    1.86526  -0.486407    1.86526  1.06485     90          7.84745     90          
1 1 1 0  17 48 o 49.2158 3.05172 14.1175      2.2701   14.1175      2.2701   58.2942     270         35.8204     270         
1 1 1 0  17 49 o 10.0272 4.61556 0.231561     1.72179  0.231561     1.72179  0.365667    270         3.71312     90          
1 1 1 0  17 50 o 42.8605 3.55152 11.1595      2.25985  11.1595      2.25985  36.4584     270         2.98524     270         
1 1 1 0  17 51 o 15.7317 6.04043 2.57137      2.05917  2.57137      2.05917  9.84429     270         1.11849     90          
1 1 1 0  17 52 o 26.5353 6.04874 5.67071      2.18204  5.67071      2.18204  28.2983     90          21.6554     90          
1 1 1 0  17 53 o 19.5943 6.28607 3.78823      2.04777  3.78823      2.04777  2.58415     270         1.5954      270         
1 1 1 0  17 54 o 22.0296 6.687   4.74983      2.32197  4.74983      2.32197  15.9629     270         4.88498     270         
1 1 1 0  17 55 o 10.7258 5.01473 0.396035     2.15505  0.396035     2.15505  0.05707     90.0002     0.547881    90.0002     
1 1 1 0  17 56 o 8.61034 4.22046 -0.792209    1.93698  -0.792209    1.93698  0.825609    90          4.85911     90          
1 1 1 0  17 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  18 0  f 341.725 2.63084 636.391      13.8403  636.391      13.8403  246.398     180         0           0           
1 1 1 0  18 1  o 61.2904 2.04996 20.6041      1.92486  20.6041      1.92486  35.1052     9.01056e-06 4.01939     180         
1 1 1 0  18 2  o 155.72  1.86909 132.215      4.479    132.215      4.479    149.284     1.83118e-06 27.1455     1.83118e-06 
1 1 1 0  18 3  o 56.2062 2.08927 17.3551      1.79681  17.3551      1.79681  6.28311     180         0.0181475   180         
1 1 1 0  18 4  o 14.1209 4.54362 1.58153      1.07007  1.58153      1.07007  20.3701     180         43.7416     180         
1 1 1 0  18 5  o 67.9136 2.34311 25.3149      2.43705  25.3149      2.43705  51.9036     180         1.38508     180         
1 1 1 0  18 6  o 12.0595 4.3873  1.16126      1.03981  1.16126      1.03981  16.1774     180         34.1478     180         
1 1 1 0  18 7  o 40.2898 2.57294 9.06262      1.56487  9.06262      1.56487  2.5843      360         18.4623     180         
1 1 1 0  18 8  o 6.61598 3.16013 -0.450693    0.940455 -0.450693    0.940455 56.0175     180         113.932     180         
1 1 1 0  18 9  o 33.7278 2.9401  6.47989      1.46478  6.47989      1.46478  1.44802     360         15.5664     360         
1 1 1 0  18 10 o 72.0369 2.0245  28.409       2.23768  28.409       2.23768  49.1929     180         25.6244     8.65266e-06 
1 1 1 0  18 11 o 41.0279 2.5055  9.37911      1.55466  9.37911      1.55466  5.26883     180         5.92389     8.65243e-06 
1 1 1 0  18 12 o 183.23  1.82424 183.018      5.14487  183.018      5.14487  138.417     3.2502e-07  41.2164     180         
1 1 1 0  18 13 o 137.334 1.89175 102.876      3.99723  102.876      3.99723  93.9496     360         50.308      180         
1 1 1 0  18 14 o 37.4554 2.56332 7.86062      1.44454  7.86062      1.44454  10.2174     180         75.7911     180         
1 1 1 0  18 15 o 53.0665 2.40618 15.5396      1.94747  15.5396      1.94747  31.562      360         3.09415     360         
1 1 1 0  18 16 o 55.8165 2.61671 17.2115      2.22608  17.2115      2.22608  35.9939     2.3361e-06  14.9232     180         
1 1 1 0  18 17 o 14.7787 4.71779 1.73075      1.15316  1.73075      1.15316  0.280104    180         0.632677    180         
1 1 1 0  18 18 o 64.13   2.16786 22.5715      2.12963  22.5715      2.12963  29.1121     180         52.113      8.65144e-06 
1 1 1 0  18 19 o 18.4871 4.77899 2.4907       1.25414  2.4907       1.25414  23.8797     360         61.9725     360         
1 1 1 0  18 20 o 8.57777 3.86149 0.105056     1.12138  0.105056     1.12138  5.91507     8.65199e-06 12.4878     8.65199e-06 
1 1 1 0  18 21 f 214.924 1.8801  251.914      6.22021  251.914      6.22021  140.059     9.29577e-07 0           0           
1 1 1 0  18 22 o 12.279  4.71825 1.16747      1.25731  1.16747      1.25731  29.046      180         66.0784     180         
1 1 1 0  18 23 o 54.3059 2.76381 16.3568      2.28318  16.3568      2.28318  34.7173     180         23.001      360         
1 1 1 0  18 24 o 27.4662 4.70239 4.79504      1.7238   4.79504      1.7238   0.476307    180         3.97619     8.65323e-06 
1 1 1 0  18 25 f 89.4945 2.04084 43.8419      2.80589  43.8419      2.80589  77.6547     360         0           0           
1 1 1 0  18 26 o 86.0968 2.33596 40.6711      3.08664  40.6711      3.08664  68.2218     3.57662e-07 10.6653     180         
1 1 1 0  18 27 o 94.1936 2.28478 48.652       3.30517  48.652       3.30517  84.0164     1.43344e-06 7.34172     1.43344e-06 
1 1 1 0  18 28 o 6.17408 3.05748 -1.11935     1.09013  -1.11935     1.09013  14.089      8.65098e-06 29.654      8.65098e-06 
1 1 1 0  18 29 o 26.8498 5.01866 4.72799      1.79271  4.72799      1.79271  10.6311     180         0.0798054   180         
1 1 1 0  18 30 o 70.9068 2.62947 27.795       2.85295  27.795       2.85295  61.8046     180         3.25617     180         
1 1 1 0  18 31 o 61.9845 2.29929 21.2191      2.18079  21.2191      2.18079  69.0112     180         33.0053     180         
1 1 1 0  18 32 o 6.46053 3.19103 -1.1207      1.16556  -1.1207      1.16556  26.0037     8.65132e-06 57.4484     8.65132e-06 
1 1 1 0  18 33 o 65.7526 2.42689 23.9269      2.4419   23.9269      2.4419   54.1614     180         2.65841     360         
1 1 1 0  18 34 o 8.89231 4.08663 -0.0454646   1.34222  -0.0454646   1.34222  8.34833     180         21.6937     180         
1 1 1 0  18 35 o 49.7895 2.69038 13.8916      2.03432  13.8916      2.03432  59.5832     180         35.5502     180         
1 1 1 0  18 36 o 73.0931 2.49182 29.6157      2.78975  29.6157      2.78975  61.2614     0           0.0936127   180         
1 1 1 0  18 37 f 29.3476 5.52531 5.79462      2.15736  5.79462      2.15736  22.3721     2.17954e-07 0           0           
1 1 1 0  18 38 o 61.7437 2.50066 21.2535      2.35959  21.2535      2.35959  57.4142     180         11.7045     180         
1 1 1 0  18 39 o 96.735  2.29749 51.7982      3.4136   51.7982      3.4136   102.424     2.62165e-06 43.6505     2.62165e-06 
1 1 1 0  18 40 o 13.2134 5.15778 1.45542      1.52769  1.45542      1.52769  0.31102     180         8.59002     8.65227e-06 
1 1 1 0  18 41 o 12.5233 5.04923 1.24902      1.5248   1.24902      1.5248   2.79665     180         18.8666     180         
1 1 1 0  18 42 o 55.2034 2.72299 17.225       2.28841  17.225       2.28841  55.7966     360         20.2631     360         
1 1 1 0  18 43 o 74.4679 3.04885 31.5323      3.46914  31.5323      3.46914  83.1786     180         43.4654     180         
1 1 1 0  18 44 o 44.0136 3.70313 11.5552      2.41625  11.5552      2.41625  41.8582     180         11.2694     180         
1 1 1 0  18 45 o 13.3377 5.32324 1.57606      1.67166  1.57606      1.67166  0.225865    2.69432e-06 0.0366048   180         
1 1 1 0  18 46 o 58.5338 3.67765 20.3006      3.25189  20.3006      3.25189  55.7451     0           15.6553     0           
1 1 1 0  18 47 o 13.414  5.38179 1.64609      1.72056  1.64609      1.72056  1.21664     360         0.947138    180         
1 1 1 0  18 48 o 24.5825 5.77042 4.74039      1.94323  4.74039      1.94323  17.1875     360         5.60743     180         
1 1 1 0  18 49 o 18.3121 6.03658 3.20514      1.89424  3.20514      1.89424  10.4829     5.69268e-07 8.34933     180         
1 1 1 0  18 50 o 12.5027 5.3236  1.38881      1.85886  1.38881      1.85886  3.7953      2.54193e-11 3.54226     180         
1 1 1 0  18 51 f 11.6248 5.10746 1.05353      1.8359   1.05353      1.8359   6.53577     180         0           0           
1 1 1 0  18 52 o 13.2906 5.53789 1.75924      1.93135  1.75924      1.93135  3.73464     180         4.38236     8.65148e-06 
1 1 1 0  18 53 o 48.9839 3.64052 14.8014      2.67006  14.8014      2.67006  57.0122     180         35.4697     180         
1 1 1 0  18 54 o 47.4877 3.63977 14.0564      2.58246  14.0564      2.58246  55.7066     180         35.4937     180         
1 1 1 0  18 55 o 11.9215 5.40608 1.23749      2.2475   1.23749      2.2475   1.88712     360         2.52107     180         
1 1 1 0  18 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  19 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  19 1  o 175.88  1.87632 168.651      5.07915  168.651      5.07915  176.175     270         48.317      270         
1 1 1 0  19 2  o 94.6809 1.94327 48.9666      2.82784  48.9666      2.82784  100.442     270         38.0087     270         
1 1 1 0  19 3  o 162.821 2.01083 144.585      5.0382   144.585      5.0382   203.085     90          124.78      90          
1 1 1 0  19 4  o 91.7963 2.27102 46.0939      3.20131  46.0939      3.20131  101.63      90          46.4249     90          
1 1 1 0  19 5  o 61.1035 2.28927 20.5196      2.14014  20.5196      2.14014  18.5028     89.9999     10.1906     89.9999     
1 1 1 0  19 6  o 141.633 2.02998 109.44       4.42326  109.44       4.42326  132.945     90          21.3129     90          
1 1 1 0  19 7  o 55.2759 2.58624 16.8751      2.17894  16.8751      2.17894  19.6563     90          53.0402     270         
1 1 1 0  19 8  o 164.105 2.00297 146.876      5.05818  146.876      5.05818  117.177     90          48.7949     270         
1 1 1 0  19 9  o 287.951 1.94715 451.918      8.63212  451.918      8.63212  253.933     90          11.2843     90          
1 1 1 0  19 10 o 35.6265 2.66007 7.14885      1.41853  7.14885      1.41853  1.30896     90.0001     11.0058     270         
1 1 1 0  19 11 o 123.467 2.22437 83.2509      4.22288  83.2509      4.22288  119.555     90          26.4423     90          
1 1 1 0  19 12 o 23.8456 4.75632 3.76085      1.51202  3.76085      1.51202  6.57822     270         19.6688     270         
1 1 1 0  19 13 o 12.0994 4.44301 1.16669      1.07306  1.16669      1.07306  59.202      270         127.228     270         
1 1 1 0  19 14 o 65.3206 2.12166 23.404       2.12382  23.404       2.12382  27.0683     270         57.84       90          
1 1 1 0  19 15 o 43.4151 2.43372 10.4706      1.60283  10.4706      1.60283  19.341      90          24.7984     270         
1 1 1 0  19 16 o 142.654 1.89103 111.029      4.15075  111.029      4.15075  129.311     270         13.8823     270         
1 1 1 0  19 17 o 44.1969 2.43492 10.8474      1.6334   10.8474      1.6334   18.8068     89.9999     7.36984     89.9999     
1 1 1 0  19 18 o 6.83362 3.28584 -0.588885    1.05124  -0.588885    1.05124  23.7737     90          49.3451     90          
1 1 1 0  19 19 o 53.5661 3.011   15.9696      2.44647  15.9696      2.44647  35.6199     270         19.3529     90          
1 1 1 0  19 20 o 42.309  3.03638 10.0804      1.92773  10.0804      1.92773  27.9126     90          3.66069     270         
1 1 1 0  19 21 o 57.4777 2.1829  18.1823      1.91926  18.1823      1.91926  33.3748     90          31.0042     270         
1 1 1 0  19 22 o 94.4208 1.98769 48.7692      2.88425  48.7692      2.88425  96.28       90          31.6659     90          
1 1 1 0  19 23 o 7.55284 3.53151 -0.246619    1.0691   -0.246619    1.0691   1.86827     270         3.93703     270         
1 1 1 0  19 24 o 33.7736 3.21527 6.57748      1.58704  6.57748      1.58704  7.99342     270         38.1303     90          
1 1 1 0  19 25 o 6.05451 3.00713 -1.17377     1.07784  -1.17377     1.07784  6.02985     90.0001     12.595      90.0001     
1 1 1 0  19 26 o 16.7337 5.1885  2.22555      1.39511  2.22555      1.39511  0.0802551   269.998     0.365783    269.998     
1 1 1 0  19 27 o 16.3658 4.9819  2.11531      1.28834  2.11531      1.28834  5.18987     270         25.7659     270         
1 1 1 0  19 28 o 81.2012 2.39424 36.3039      2.98192  36.3039      2.98192  83.8671     90          30.587      90          
1 1 1 0  19 29 o 11.4957 4.87366 0.791564     1.54453  0.791564     1.54453  4.12265     270         13.2282     270         
1 1 1 0  19 30 o 44.8242 2.6822  11.2705      1.8197   11.2705      1.8197   35.9878     90          3.46085     270         
1 1 1 0  19 31 o 11.2845 4.59067 0.918705     1.27682  0.918705     1.27682  4.94519     90          16.1879     90          
1 1 1 0  19 32 o 16.2752 5.16872 2.15557      1.38389  2.15557      1.38389  0.134853    270.001     0.395538    90.0005     
1 1 1 0  19 33 o 76.3308 2.23022 32.1436      2.61123  32.1436      2.61123  68.9057     270         10.0503     270         
1 1 1 0  19 34 o 106.408 2.21327 62.3408      3.61949  62.3408      3.61949  101.127     90          24.503      90          
1 1 1 0  19 35 o 9.92265 4.40852 0.344947     1.40807  0.344947     1.40807  0.18605     270         0.86035     270         
1 1 1 0  19 36 o 7.76902 3.71298 -0.552317    1.30187  -0.552317    1.30187  2.50959     270         7.44836     270         
1 1 1 0  19 37 o 10.6525 4.73101 0.446089     1.61998  0.446089     1.61998  1.51667     90          8.16855     90          
1 1 1 0  19 38 o 58.7611 3.14321 19.608       2.80582  19.608       2.80582  61.0741     90          24.8242     90          
1 1 1 0  19 39 o 59.475  2.57331 19.8276      2.33634  19.8276      2.33634  55.0963     270         11.9108     270         
1 1 1 0  19 40 o 57.7662 2.61584 18.7632      2.30472  18.7632      2.30472  56.7648     270         18.2948     270         
1 1 1 0  19 41 o 47.6298 2.98222 13.0083      2.14605  13.0083      2.14605  45.6734     270         13.0117     270         
1 1 1 0  19 42 o 12.5737 5.24223 1.24318      1.73239  1.24318      1.73239  0.462191    270         1.90922     90.0001     
1 1 1 0  19 43 o 11.0805 4.89251 0.678973     1.70601  0.678973     1.70601  0.412894    270         2.86659     90          
1 1 1 0  19 44 o 10.2805 4.6291  0.421431     1.61265  0.421431     1.61265  0.282489    89.9999     3.63383     270         
1 1 1 0  19 45 o 14.4825 5.83585 1.95444      2.03529  1.95444      2.03529  4.95835     90          7.63426     270         
1 1 1 0  19 46 o 85.1947 2.37529 40.9409      3.10513  40.9409      3.10513  88.4408     90          38.5592     90          
1 1 1 0  19 47 o 12.3657 5.20677 1.31137      1.73995  1.31137      1.73995  4.56852     90          6.46        270         
1 1 1 0  19 48 o 33.1542 4.47096 7.23473      2.04176  7.23473      2.04176  27.1258     270         0.721561    270         
1 1 1 0  19 49 o 10.5078 4.79463 0.493274     1.80338  0.493274     1.80338  0.0996232   270         0.358899    90.0002     
1 1 1 0  19 50 o 9.3932  4.45106 -0.127138    1.79748  -0.127138    1.79748  0.123923    270         4.16243     270         
1 1 1 0  19 51 o 10.0186 4.69744 0.147092     1.91297  0.147092     1.91297  0.104732    90          1.04887     90          
1 1 1 0  19 52 o 8.21787 4.03227 -0.968748    1.77994  -0.968748    1.77994  2.15849     270         6.02443     270         
1 1 1 0  19 53 o 10.8086 4.93911 0.711688     1.92299  0.711688     1.92299  0.128368    90          2.33731     90          
1 1 1 0  19 54 o 10.0971 4.75345 0.29336      1.99223  0.29336      1.99223  0.386558    270         2.35341     90          
1 1 1 0  19 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  20 0  o 79.0784 2.89252 34.3517      3.50065  34.3517      3.50065  53.5663     3.91092e-06 7.23119     180         
1 1 1 0  20 1  o 103.879 1.95579 58.9269      3.1235   58.9269      3.1235   3.73132     360         3.2923      360         
1 1 1 0  20 2  o 88.2175 2.12629 42.563       2.88084  42.563       2.88084  90.4745     180         31.2025     180         
1 1 1 0  20 3  o 190.791 2.16738 198.559      6.36398  198.559      6.36398  208.131     180         89.4309     180         
1 1 1 0  20 4  o 33.048  3.16283 6.2779       1.52652  6.2779       1.52652  0.304618    360         8.3143      360         
1 1 1 0  20 5  o 275.92  1.98789 415.028      8.44433  415.028      8.44433  219.496     8.02098e-07 33.4458     180         
1 1 1 0  20 6  o 188.342 2.6704  193.709      7.73785  193.709      7.73785  160.521     4.0442e-11  1.33777     180         
1 1 1 0  20 7  o 6.68473 3.30417 -1.25961     1.25614  -1.25961     1.25614  35.2043     8.65177e-06 71.9957     8.65177e-06 
1 1 1 0  20 8  f 132.324 2.22996 95.6153      4.53803  95.6153      4.53803  94.6604     0           0           0           
1 1 1 0  20 9  o 52.4434 2.35027 15.1754      1.88031  15.1754      1.88031  21.6604     360         43.9902     180         
1 1 1 0  20 10 f 284.863 1.93661 442.383      8.49334  442.383      8.49334  208.044     360         0           0           
1 1 1 0  20 11 o 119.467 1.94519 77.9157      3.57422  77.9157      3.57422  97.2608     1.70849e-07 9.45177     180         
1 1 1 0  20 12 o 91.6065 1.96417 45.8694      2.76496  45.8694      2.76496  100.186     180         44.1693     180         
1 1 1 0  20 13 o 101.453 1.91032 56.225       2.97964  56.225       2.97964  54.7649     2.25714e-06 63.4403     180         
1 1 1 0  20 14 o 194.943 1.80771 207.25       5.42446  207.25       5.42446  192.274     360         52.4503     360         
1 1 1 0  20 15 o 101.891 2.21554 56.7893      3.46875  56.7893      3.46875  91.7295     360         10.03       360         
1 1 1 0  20 16 o 47.3622 3.04491 12.5584      2.17636  12.5584      2.17636  28.7912     360         20.173      180         
1 1 1 0  20 17 o 87.4905 1.93301 41.8669      2.59851  41.8669      2.59851  68.2091     180         12.2162     8.6517e-06  
1 1 1 0  20 18 o 82.3626 1.98904 37.1338      2.516    37.1338      2.516    38.0297     180         63.7193     360         
1 1 1 0  20 19 o 38.9784 2.44584 8.49146      1.44024  8.49146      1.44024  11.7302     180         39.2146     8.65182e-06 
1 1 1 0  20 20 o 76.5399 1.99066 32.0991      2.33904  32.0991      2.33904  53.3618     180         22.8793     8.65154e-06 
1 1 1 0  20 21 o 66.463  2.23389 24.2894      2.27447  24.2894      2.27447  59.7491     1.93894e-06 7.1823      1.93894e-06 
1 1 1 0  20 22 o 5.88671 2.88713 -0.775999    0.909858 -0.775999    0.909858 6.70034     180         13.9371     180         
1 1 1 0  20 23 o 43.5755 2.40551 10.5727      1.59088  10.5727      1.59088  28.811      8.62034e-07 15.3685     180         
1 1 1 0  20 24 o 22.8166 4.56862 3.47599      1.39003  3.47599      1.39003  4.58428     4.91869e-06 17.8876     180         
1 1 1 0  20 25 o 53.2178 2.50328 15.7187      2.03029  15.7187      2.03029  49.8208     4.77199e-06 10.146      4.77198e-06 
1 1 1 0  20 26 o 76.2914 2.05536 31.9756      2.40668  31.9756      2.40668  76.5104     180         24.889      180         
1 1 1 0  20 27 o 160.691 2.22703 141.596      5.50595  141.596      5.50595  157.554     360         45.6502     360         
1 1 1 0  20 28 o 40.7482 2.9015  9.408        1.77497  9.408        1.77497  44.791      360         22.3237     360         
1 1 1 0  20 29 o 12.2829 4.70123 1.21099      1.24343  1.21099      1.24343  1.84607     360         7.60198     360         
1 1 1 0  20 30 o 47.1164 2.54459 12.4174      1.8208   12.4174      1.8208   47.2254     180         15.8664     180         
1 1 1 0  20 31 o 29.8864 3.70158 5.37957      1.54729  5.37957      1.54729  18.3576     180         12.7292     360         
1 1 1 0  20 32 o 12.9237 4.89811 1.36922      1.33741  1.36922      1.33741  20.7254     180         61.8849     180         
1 1 1 0  20 33 o 124.223 2.04576 84.8377      3.90855  84.8377      3.90855  99.2036     180         7.68785     8.65144e-06 
1 1 1 0  20 34 o 42.4349 2.8465  10.2313      1.81924  10.2313      1.81924  42.6389     360         15.0157     360         
1 1 1 0  20 35 o 22.9822 5.23789 3.7949       1.63645  3.7949       1.63645  19.312      360         6.18811     360         
1 1 1 0  20 36 o 11.1859 4.75667 0.8048       1.48009  0.8048       1.48009  15.4887     180         47.1586     180         
1 1 1 0  20 37 o 12.89   5.0924  1.36391      1.51027  1.36391      1.51027  0.0611448   2.83701e-06 2.73822     180         
1 1 1 0  20 38 o 40.1783 3.5553  9.49312      2.10658  9.49312      2.10658  37.2499     180         8.55646     180         
1 1 1 0  20 39 o 16.9464 6.24638 2.61818      2.1266   2.61818      2.1266   4.81828     2.50228e-06 13.3008     180         
1 1 1 0  20 40 o 32.3296 4.0204  6.47961      1.8166   6.47961      1.8166   33.8545     360         15.327      360         
1 1 1 0  20 41 o 10.7771 4.83341 0.4917       1.73769  0.4917       1.73769  1.0672      180         11.0886     180         
1 1 1 0  20 42 o 45.6042 3.57472 12.3686      2.43161  12.3686      2.43161  42.2963     180         10.4306     180         
1 1 1 0  20 43 o 20.6716 5.75628 3.55028      1.75869  3.55028      1.75869  16.2442     180         8.45666     180         
1 1 1 0  20 44 o 34.914  4.88615 8.03481      2.33501  8.03481      2.33501  29.0372     180         1.59061     180         
1 1 1 0  20 45 o 21.9636 5.91563 4.03729      1.88299  4.03729      1.88299  2.45078     1.94842e-05 1.81068     1.94842e-05 
1 1 1 0  20 46 o 9.90671 4.5604  0.249145     1.68125  0.249145     1.68125  1.08722     180         6.84046     8.65139e-06 
1 1 1 0  20 47 o 8.55492 4.13755 -0.65231     1.71959  -0.65231     1.71959  1.40198     360         8.86629     360         
1 1 1 0  20 48 o 26.9728 5.5194  5.49357      1.98873  5.49357      1.98873  26.7031     360         10.5175     360         
1 1 1 0  20 49 o 16.3569 5.95737 2.78374      1.91859  2.78374      1.91859  9.6274      180         4.07286     8.65147e-06 
1 1 1 0  20 50 o 6.94908 3.51116 -2.07913     1.70343  -2.07913     1.70343  4.65731     180         12.2657     180         
1 1 1 0  20 51 f 7.74671 3.84952 -1.38581     1.77299  -1.38581     1.77299  1.47651     180         0           0           
1 1 1 0  20 52 o 10.2984 4.77658 0.475117     1.89568  0.475117     1.89568  0.636721    180         6.39637     180         
1 1 1 0  20 53 o 12.8709 5.5099  1.77207      2.01333  1.77207      2.01333  4.63153     180         1.55358     8.83038e-06 
1 1 1 0  21 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  21 1  o 15.5756 5.56537 1.95838      1.65547  1.95838      1.65547  9.44725     89.9999     23.112      89.9999     
1 1 1 0  21 2  f 96.7574 2.81239 51.3549      4.1742   51.3549      4.1742   85.0799     270         0           0           
1 1 1 0  21 3  o 45.9699 2.88675 11.8047      2.00471  11.8047      2.00471  14.6732     270         46.9327     90          
1 1 1 0  21 4  o 17.598  5.16665 2.38473      1.39446  2.38473      1.39446  29.4736     90          76.2641     90          
1 1 1 0  21 5  o 153.287 2.21457 128.294      5.22246  128.294      5.22246  153.222     270         46.4077     270         
1 1 1 0  21 6  o 19.4075 5.04681 2.7555       1.39422  2.7555       1.39422  8.97434     90          28.3781     90          
1 1 1 0  21 7  o 46.184  2.53577 11.8469      1.77771  11.8469      1.77771  8.13509     90          61.4816     270         
1 1 1 0  21 8  o 212.463 1.86662 246.187      6.1049   246.187      6.1049   239.198     270         118.389     270         
1 1 1 0  21 9  o 167.402 1.86266 152.884      4.79889  152.884      4.79889  166.169     90          48.8288     90          
1 1 1 0  21 10 o 41.6551 2.57422 9.68558      1.62095  9.68558      1.62095  17.4218     89.9999     4.96375     89.9999     
1 1 1 0  21 11 o 30.0336 3.87906 5.40039      1.61707  5.40039      1.61707  3.20481     89.9999     8.32022     270         
1 1 1 0  21 12 f 83.6793 2.17959 38.3583      2.79989  38.3583      2.79989  133.543     90          0           0           
1 1 1 0  21 13 o 255.655 2.69481 357.311      10.6036  357.311      10.6036  270.589     90          109.329     90          
1 1 1 0  21 14 o 95.5968 1.9096  49.9661      2.80603  49.9661      2.80603  53.6835     90          53.9842     270         
1 1 1 0  21 15 o 36.6806 2.78842 7.60528      1.52907  7.60528      1.52907  9.55962     90          37.7501     270         
1 1 1 0  21 16 o 40.8394 2.38682 9.29458      1.47661  9.29458      1.47661  22.6431     90          7.09752     90          
1 1 1 0  21 17 o 34.601  2.61875 6.76579      1.35504  6.76579      1.35504  0.570183    90          55.2779     270         
1 1 1 0  21 18 o 96.9661 1.84314 51.42        2.74763  51.42        2.74763  90.6249     90          18.2073     90          
1 1 1 0  21 19 o 100.902 1.82684 55.678       2.83431  55.678       2.83431  78.0758     270         13.3232     90          
1 1 1 0  21 20 o 21.4217 3.8114  2.94789      1.08736  2.94789      1.08736  0.582062    90          17.7954     270         
1 1 1 0  21 21 o 72.3508 1.96433 28.725       2.18117  28.725       2.18117  63.3276     270         5.423       270         
1 1 1 0  21 22 o 50.0715 2.31545 13.8964      1.76756  13.8964      1.76756  10.6975     90          62.3989     270         
1 1 1 0  21 23 o 47.4469 2.69444 12.5874      1.93853  12.5874      1.93853  39.0462     90          1.19274     270         
1 1 1 0  21 24 o 16.1056 4.79992 2.0367       1.1998   2.0367       1.1998   9.01636     270         41.151      270         
1 1 1 0  21 25 o 10.296  4.16943 0.763147     1.04621  0.763147     1.04621  5.6011      270         15.7658     270         
1 1 1 0  21 26 o 52.6637 2.49785 15.4313      2.00443  15.4313      2.00443  44.3076     90          0.984138    90          
1 1 1 0  21 27 o 48.9498 2.49375 13.3676      1.85685  13.3676      1.85685  31.6924     90          17.9392     270         
1 1 1 0  21 28 o 11.2255 4.4765  0.95691      1.18087  0.95691      1.18087  15.7702     270         45.5002     270         
1 1 1 0  21 29 o 24.6724 4.23397 3.92029      1.39398  3.92029      1.39398  13.0697     90          6.03708     90          
1 1 1 0  21 30 o 25.8175 4.16982 4.23518      1.44428  4.23518      1.44428  16.9174     90          8.10038     270         
1 1 1 0  21 31 o 46.9489 2.83492 12.4459      2.0138   12.4459      2.0138   57.388      270         37.3347     270         
1 1 1 0  21 32 o 9.16034 4.09733 0.242766     1.2392   0.242766     1.2392   3.32894     270         12.5366     270         
1 1 1 0  21 33 o 31.0015 3.75839 5.82108      1.63606  5.82108      1.63606  26.7799     90          2.74969     90          
1 1 1 0  21 34 o 55.3384 2.53606 17.1599      2.14001  17.1599      2.14001  49.2231     270         7.66456     270         
1 1 1 0  21 35 o 9.58327 4.29655 0.279555     1.37178  0.279555     1.37178  0.673971    270         2.26401     270         
1 1 1 0  21 36 o 27.7901 4.70185 5.06328      1.74546  5.06328      1.74546  26.1203     90          9.75126     90          
1 1 1 0  21 37 o 53.7027 2.9506  16.4172      2.40523  16.4172      2.40523  51.0336     270         14.5232     270         
1 1 1 0  21 38 o 17.8776 5.61441 2.73424      1.63277  2.73424      1.63277  3.7916      90          36.2181     90          
1 1 1 0  21 39 o 18.1503 5.95335 2.93975      1.84093  2.93975      1.84093  10.5644     270         0.0746021   270         
1 1 1 0  21 40 o 12.5665 5.75327 0.591067     2.62582  0.591067     2.62582  0.789779    90          0.980722    270         
1 1 1 0  21 41 o 66.5956 3.3242  25.7596      3.36921  25.7596      3.36921  68.4499     270         29.3374     270         
1 1 1 0  21 42 o 6.52343 3.2856  -1.83767     1.44668  -1.83767     1.44668  7.7363      90          19.9648     90          
1 1 1 0  21 43 o 9.60836 4.53259 -0.187439    1.8273   -0.187439    1.8273   3.46398     90          17.0242     90          
1 1 1 0  21 44 o 9.76632 4.51161 0.177272     1.66629  0.177272     1.66629  0.546258    90          2.59708     270         
1 1 1 0  21 45 o 9.6378  4.47518 0.128226     1.67099  0.128226     1.67099  2.58039     270         17.5412     270         
1 1 1 0  21 46 o 10.024  4.61682 0.308119     1.72633  0.308119     1.72633  2.18773     270         16.3785     270         
1 1 1 0  21 47 o 17.7004 6.03013 3.13465      1.90489  3.13465      1.90489  12.6897     90          1.0507      90          
1 1 1 0  21 48 f 9.42426 4.45002 -0.0526645   1.76869  -0.0526645   1.76869  2.92331     270         0           0           
1 1 1 0  21 49 o 22.2812 6.17847 4.46424      2.02933  4.46424      2.02933  15.2044     90          6.00638     90          
1 1 1 0  21 50 o 11.2488 5.1213  0.808575     2.0426   0.808575     2.0426   1.142       90          9.21088     90          
1 1 1 0  21 51 o 11.2465 5.06878 1.00925      1.93889  1.00925      1.93889  0.578709    90          8.37598     270         
1 1 1 0  21 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  22 0  f 211.234 3.11182 243.77       10.1121  243.77       10.1121  158.755     180         0           0           
1 1 1 0  22 1  o 157.581 2.43007 135.745      5.89042  135.745      5.89042  148.84      180         32.7594     180         
1 1 1 0  22 2  f 61.1265 2.81129 20.6712      2.62019  20.6712      2.62019  64.9248     0           0           0           
1 1 1 0  22 3  o 18.4158 5.3801  2.61452      1.51382  2.61452      1.51382  12.3226     8.65037e-06 35.2071     8.65037e-06 
1 1 1 0  22 4  o 74.3175 2.643   30.3944      3.00712  30.3944      3.00712  59.7551     360         5.31087     180         
1 1 1 0  22 5  o 72.2127 2.29647 28.6335      2.54188  28.6335      2.54188  26.2404     1.53181e-06 68.8328     180         
1 1 1 0  22 6  o 8.17112 3.84702 -0.394468    1.30526  -0.394468    1.30526  33.6478     180         70.7447     180         
1 1 1 0  22 7  o 60.0809 2.61675 19.9427      2.39969  19.9427      2.39969  61.838      360         34.737      360         
1 1 1 0  22 8  o 153.661 1.91384 128.918      4.52539  128.918      4.52539  159.747     1.15031e-10 61.6456     1.15031e-10 
1 1 1 0  22 9  o 166.896 1.88633 152.062      4.84512  152.062      4.84512  161.291     1.7306e-07  42.6657     1.7306e-07  
1 1 1 0  22 10 o 6.25811 3.04521 -0.701128    0.964349 -0.701128    0.964349 18.2497     180         37.7088     180         
1 1 1 0  22 11 o 14.4007 4.69775 1.66405      1.14544  1.66405      1.14544  7.34817     360         18.505      360         
1 1 1 0  22 12 o 173.737 1.90907 164.832      5.10469  164.832      5.10469  165.741     180         40.6348     180         
1 1 1 0  22 13 o 61.4956 2.07605 20.7881      1.95569  20.7881      1.95569  34.251      2.91385e-06 34.3559     180         
1 1 1 0  22 14 o 105.6   1.82499 60.9654      2.96366  60.9654      2.96366  113.129     360         49.7493     360         
1 1 1 0  22 15 o 8.63017 3.69822 0.387338     0.908931 0.387338     0.908931 13.2346     8.65069e-06 29.0895     8.65069e-06 
1 1 1 0  22 16 o 5.90984 2.83034 -0.383851    0.764316 -0.383851    0.764316 8.34344     180         17.4836     180         
1 1 1 0  22 17 o 127.626 2.6473  89.4655      5.1926   89.4655      5.1926   103.292     1.34063e-06 6.15382     180         
1 1 1 0  22 18 o 15.3922 4.73252 1.87583      1.16139  1.87583      1.16139  1.92781     180         9.45633     180         
1 1 1 0  22 19 o 25.57   4.11211 4.11299      1.4113   4.11299      1.4113   8.75743     1.1217e-05  2.53316     1.12169e-05 
1 1 1 0  22 20 o 150.681 2.78719 124.958      6.45719  124.958      6.45719  148.481     180         46.6193     180         
1 1 1 0  22 21 o 13.6216 4.41776 1.49902      1.0123   1.49902      1.0123   0.277941    180         1.51564     180         
1 1 1 0  22 22 o 16.8344 4.39236 2.09765      1.05423  2.09765      1.05423  5.20765     8.65126e-06 34.1649     8.65126e-06 
1 1 1 0  22 23 o 61.9802 2.22115 21.2173      2.10744  21.2173      2.10744  53.6125     180         4.64362     180         
1 1 1 0  22 24 o 86.2619 1.98395 40.8784      2.62904  40.8784      2.62904  72.6952     180         2.81999     180         
1 1 1 0  22 25 o 27.4002 4.25149 4.72097      1.57022  4.72097      1.57022  17.1948     180         9.51157     8.65196e-06 
1 1 1 0  22 26 o 30.2325 3.45593 5.43425      1.48284  5.43425      1.48284  23.1231     0           2.73729     180         
1 1 1 0  22 27 o 22.3177 4.44189 3.35152      1.3214   3.35152      1.3214   9.93088     1.36143e-06 15.1999     180         
1 1 1 0  22 28 o 7.70472 3.55953 -0.0878977   1.03752  -0.0878977   1.03752  4.39609     180         11.5975     180         
1 1 1 0  22 29 o 9.3744  4.07213 0.43458      1.13557  0.43458      1.13557  7.42303     360         25.2838     360         
1 1 1 0  22 30 o 22.7038 4.55715 3.50455      1.37993  3.50455      1.37993  9.97928     180         16.9388     8.65175e-06 
1 1 1 0  22 31 o 47.5837 2.54017 12.7284      1.83629  12.7284      1.83629  48.3795     180         19.0075     180         
1 1 1 0  22 32 f 140.412 1.98999 108.607      4.29882  108.607      4.29882  83.0076     180         0           0           
1 1 1 0  22 33 o 11.6045 4.70771 1.03806      1.33725  1.03806      1.33725  1.85519     180         10.6053     180         
1 1 1 0  22 34 o 33.5265 3.52103 6.70522      1.70002  6.70522      1.70002  35.5509     360         17.7366     360         
1 1 1 0  22 35 o 14.7587 5.21701 1.9002       1.44669  1.9002       1.44669  1.24557     180         2.27447     3.59759e-05 
1 1 1 0  22 36 o 21.6707 5.2995  3.54591      1.59389  3.54591      1.59389  15.4637     180         0.575041    8.65149e-06 
1 1 1 0  22 37 o 11.9835 4.91696 1.15319      1.48412  1.15319      1.48412  10.1007     180         38.0849     180         
1 1 1 0  22 38 f 6.92589 3.43445 -1.29355     1.38929  -1.29355     1.38929  11.4485     0           0           0           
1 1 1 0  22 39 o 19.6754 6.14256 3.45284      1.95471  3.45284      1.95471  12.862      360         4.79381     180         
1 1 1 0  22 40 o 8.8252  4.29336 -0.983089    1.91425  -0.983089    1.91425  4.51152     360         16.7117     360         
1 1 1 0  22 41 o 12.9554 5.74701 1.1791       2.38295  1.1791       2.38295  2.40903     180         7.36347     360         
1 1 1 0  22 42 o 22.9465 7.23276 5.15069      2.70963  5.15069      2.70963  18.132      180         0.154728    180         
1 1 1 0  22 43 o 12.6284 5.23003 1.43981      1.70472  1.43981      1.70472  3.30557     180         0.599981    360         
1 1 1 0  22 44 o 11.8972 5.08495 1.18868      1.70907  1.18868      1.70907  2.88016     180         6.39377     8.65149e-06 
1 1 1 0  22 45 o 8.62517 4.14754 -0.486092    1.67544  -0.486092    1.67544  0.107954    360         0.721838    360         
1 1 1 0  22 46 o 34.9862 4.2869  8.02276      2.10188  8.02276      2.10188  37.3788     180         19.5317     180         
1 1 1 0  22 47 o 10.2973 4.71893 0.473308     1.77232  0.473308     1.77232  0.622047    8.65144e-06 4.372       8.65144e-06 
1 1 1 0  22 48 o 11.3693 5.06911 0.957662     1.87975  0.957662     1.87975  1.05746     180         6.44386     180         
1 1 1 0  22 49 o 12.9724 5.50705 1.74753      1.97726  1.74753      1.97726  1.26249     5.51361e-06 10.6089     180         
1 1 1 0  22 50 o 21.9291 6.40485 4.7439       2.14555  4.7439       2.14555  14.799      180         4.31217     8.56593e-06 
1 1 1 0  22 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  23 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  23 1  o 105.39  2.52127 60.923       4.08111  60.923       4.08111  113.974     270         52.5667     270         
1 1 1 0  23 2  o 88.2827 2.86729 42.9237      3.87916  42.9237      3.87916  74.9872     90          3.07372     90          
1 1 1 0  23 3  o 24.6579 4.83584 4.02449      1.58817  4.02449      1.58817  0.72702     270         7.72457     89.9999     
1 1 1 0  23 4  o 86.8726 2.18427 41.3733      2.9136   41.3733      2.9136   83.7753     270         23.0491     270         
1 1 1 0  23 5  o 136.843 1.93147 102.332      4.06639  102.332      4.06639  115.168     270         2.77264     270         
1 1 1 0  23 6  o 17.9339 4.93372 2.42311      1.29802  2.42311      1.29802  4.85518     90.0001     17.481      90.0001     
1 1 1 0  23 7  o 175.875 2.01086 169.029      5.44275  169.029      5.44275  170.938     270         49.6131     270         
1 1 1 0  23 8  o 121.633 2.46019 81.11        4.59945  81.11        4.59945  94.8503     90          12.3352     270         
1 1 1 0  23 9  o 56.5018 2.38732 17.6429      2.05998  17.6429      2.05998  63.0145     270         34.3335     270         
1 1 1 0  23 10 o 84.724  2.09541 39.3634      2.7262   39.3634      2.7262   82.7586     90          24.9386     90          
1 1 1 0  23 11 o 72.2728 2.06811 28.6817      2.29306  28.6817      2.29306  36.3857     270         47.073      90          
1 1 1 0  23 12 o 44.1894 2.35777 10.8643      1.58288  10.8643      1.58288  44.377      270         29.919      270         
1 1 1 0  23 13 o 101.212 2.02397 56.1248      3.14875  56.1248      3.14875  67.9959     90          31.6013     270         
1 1 1 0  23 14 o 19.0696 4.32716 2.53557      1.12061  2.53557      1.12061  2.32358     90          11.0195     270         
1 1 1 0  23 15 o 12.7763 4.40044 1.33304      1.01808  1.33304      1.01808  8.08687     270         27.5078     270         
1 1 1 0  23 16 o 58.0781 2.21611 18.6269      1.96868  18.6269      1.96868  66.0731     270         36.2539     270         
1 1 1 0  23 17 o 52.4483 2.18492 15.2174      1.7505   15.2174      1.7505   55.2357     270         23.9682     270         
1 1 1 0  23 18 o 144.391 2.53592 114.648      5.63068  114.648      5.63068  166.063     270         94.1283     270         
1 1 1 0  23 19 o 20.5959 4.90424 3.03782      1.38956  3.03782      1.38956  4.33833     270         1.40973     90.0001     
1 1 1 0  23 20 o 22.783  3.69362 3.27523      1.12853  3.27523      1.12853  11.8717     270         7.56518     90          
1 1 1 0  23 21 o 52.1484 2.33121 15.1043      1.85467  15.1043      1.85467  30.1929     270         25.2717     90          
1 1 1 0  23 22 o 78.8221 3.49853 34.8782      4.20761  34.8782      4.20761  68.2061     90          7.10632     90          
1 1 1 0  23 23 o 8.28245 3.78159 0.0182803    1.12415  0.0182803    1.12415  3.57411     90          8.97706     90          
1 1 1 0  23 24 o 100.414 4.05247 56.9942      6.21915  56.9942      6.21915  94.5673     90          24.8552     90          
1 1 1 0  23 25 f 86.2397 2.85643 41.3724      3.7743   41.3724      3.7743   69.3348     90          0           0           
1 1 1 0  23 26 o 66.4064 2.07063 24.3541      2.10801  24.3541      2.10801  54.0762     90          0.167938    270         
1 1 1 0  23 27 o 31.5948 2.85766 5.78524      1.32813  5.78524      1.32813  26.0414     90          0.661762    90          
1 1 1 0  23 28 o 10.994  4.28526 0.967931     1.05285  0.967931     1.05285  0.770849    270         5.53456     270         
1 1 1 0  23 29 o 34.6148 3.09098 6.97646      1.57624  6.97646      1.57624  37.4136     270         19.3218     270         
1 1 1 0  23 30 o 7.79945 3.61558 -0.100694    1.08395  -0.100694    1.08395  5.49053     90          14.2615     90          
1 1 1 0  23 31 o 6.6528  3.23114 -0.68843     1.07379  -0.68843     1.07379  4.73747     270         11.2679     270         
1 1 1 0  23 32 o 14.4042 5.01246 1.78335      1.32617  1.78335      1.32617  0.684792    89.9999     2.38703     270         
1 1 1 0  23 33 o 7.68386 3.6444  -0.370137    1.21     -0.370137    1.21     3.8181      90          10.0455     90          
1 1 1 0  23 34 o 45.088  2.74006 11.6113      1.86881  11.6113      1.86881  38.8414     90          5.17551     90          
1 1 1 0  23 35 f 11.1844 4.70547 0.916841     1.41883  0.916841     1.41883  1.83987     90.0002     0           0           
1 1 1 0  23 36 o 34.6525 3.59752 7.28233      1.79865  7.28233      1.79865  27.9234     270         0.352821    270         
1 1 1 0  23 37 o 48.6978 2.85495 13.6637      2.10585  13.6637      2.10585  49.8073     90          21.795      90          
1 1 1 0  23 38 o 25.732  5.63608 4.94704      1.9553   4.94704      1.9553   19.1415     90          2.53449     270         
1 1 1 0  23 39 o 29.9292 5.36762 6.3005       2.13883  6.3005       2.13883  24.8225     270         2.10418     270         
1 1 1 0  23 40 o 16.5582 5.8548  2.6449       1.8223   2.6449       1.8223   10.5245     270         0.57737     90          
1 1 1 0  23 41 o 16.1016 6.10428 2.64203      2.07772  2.64203      2.07772  9.59354     270         4.52634     90          
1 1 1 0  23 42 o 17.0679 6.20627 2.99094      2.08009  2.99094      2.08009  11.1927     270         1.86307     90          
1 1 1 0  23 43 o 14.7693 6.18037 2.27343      2.42374  2.27343      2.42374  6.89173     270         2.66596     90          
1 1 1 0  23 44 o 13.6081 5.73104 1.85395      2.10876  1.85395      2.10876  2.48143     270         14.2558     90          
1 1 1 0  23 45 o 15.688  5.83187 2.57163      1.86551  2.57163      1.86551  6.84135     270         5.10549     90          
1 1 1 0  23 46 o 11.97   5.20358 1.23605      1.85755  1.23605      1.85755  0.427006    90          5.25163     90          
1 1 1 0  23 47 o 32.1394 5.08494 7.34754      2.19761  7.34754      2.19761  34.2781     90          25.4672     90          
1 1 1 0  23 48 o 11.2427 5.05503 1.02054      1.91482  1.02054      1.91482  0.514624    270         7.6113      90          
1 1 1 0  23 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  24 0  o 111.292 4.15162 68.5382      7.06948  68.5382      7.06948  116.897     180         50.5429     180         
1 1 1 0  24 1  o 82.4906 2.40561 37.4377      3.04392  37.4377      3.04392  103.424     6.91379e-06 71.0398     6.91379e-06 
1 1 1 0  24 2  o 223.545 2.19426 273.472      7.5501   273.472      7.5501   232.59      180         97.1426     180         
1 1 1 0  24 3  o 58.9992 2.64727 19.3049      2.38262  19.3049      2.38262  54.2432     7.6498e-06  11.379      7.6498e-06  
1 1 1 0  24 4  f 10.1402 4.44763 0.414484     1.38635  0.414484     1.38635  10.2892     360         0           0           
1 1 1 0  24 5  o 5.96021 2.97145 -1.2616      1.08363  -1.2616      1.08363  4.238       180         9.04795     180         
1 1 1 0  24 6  o 12.8984 4.78699 1.34797      1.25534  1.34797      1.25534  10.6383     8.65171e-06 32.5588     8.65171e-06 
1 1 1 0  24 7  o 16.3555 4.928   2.10657      1.26237  2.10657      1.26237  0.0186765   180         1.00093     180         
1 1 1 0  24 8  o 64.2612 2.13805 22.7416      2.105    22.7416      2.105    86.2819     180         67.4937     180         
1 1 1 0  24 9  o 111.153 1.94763 67.6733      3.32899  67.6733      3.32899  72.4613     180         37.6592     8.65144e-06 
1 1 1 0  24 10 o 18.8625 4.78337 2.60465      1.26997  2.60465      1.26997  1.93933     0           2.94317     180         
1 1 1 0  24 11 o 26.3647 3.7647  4.26588      1.3541   4.26588      1.3541   14.0426     180         5.06163     180         
1 1 1 0  24 12 o 79.4988 1.93045 34.6879      2.35691  34.6879      2.35691  68.2295     180         6.11609     180         
1 1 1 0  24 13 o 27.7344 3.63711 4.65237      1.39631  4.65237      1.39631  20.7465     180         1.40041     180         
1 1 1 0  24 14 o 38.2239 2.66614 8.25653      1.53175  8.25653      1.53175  41.8598     180         27.311      180         
1 1 1 0  24 15 o 46.3589 2.57616 12.022       1.81219  12.022       1.81219  37.4882     180         0.839714    8.65169e-06 
1 1 1 0  24 16 o 41.7648 2.46785 9.77647      1.56073  9.77647      1.56073  27.0761     360         14.0874     180         
1 1 1 0  24 17 o 38.9756 2.69401 8.59404      1.57898  8.59404      1.57898  39.0798     180         15.1429     180         
1 1 1 0  24 18 o 30.3955 2.7163  5.32063      1.21622  5.32063      1.21622  3.52583     180         56.6142     180         
1 1 1 0  24 19 o 68.7759 2.69481 26.2946      2.83383  26.2946      2.83383  65.339      180         18.6388     180         
1 1 1 0  24 20 o 53.2909 5.19986 16.968       4.03597  16.968       4.03597  55.9611     360         25.216      360         
1 1 1 0  24 21 o 47.2479 5.80608 13.8129      3.8424   13.8129      3.8424   47.2805     1.52524e-06 17.7859     1.52524e-06 
1 1 1 0  24 22 o 33.0659 6.47764 7.52584      2.8526   7.52584      2.8526   36.6437     180         23.2597     180         
1 1 1 0  24 23 o 65.0145 5.08625 24.9917      4.93311  24.9917      4.93311  51.6739     180         2.03776     360         
1 1 1 0  24 24 o 67.3197 11.3036 33.7626      10.1712  33.7626      10.1712  88.2651     180         67.5804     180         
1 1 1 0  24 25 o 40.2605 4.58783 9.86298      2.62293  9.86298      2.62293  48.5171     7.64659e-08 32.4734     7.64659e-08 
1 1 1 0  24 26 o 7.47512 3.51507 -0.260595    1.08414  -0.260595    1.08414  3.13885     8.63455e-06 8.06568     8.63455e-06 
1 1 1 0  24 27 o 10.3594 4.28711 0.763509     1.14401  0.763509     1.14401  1.71641     180         6.62642     180         
1 1 1 0  24 28 o 56.3646 2.8466  17.9435      2.4412   17.9435      2.4412   47.2464     360         3.81626     360         
1 1 1 0  24 29 o 39.1551 3.19213 8.90486      1.85828  8.90486      1.85828  32.2405     360         1.60943     360         
1 1 1 0  24 30 o 9.10515 3.98389 0.402997     1.10568  0.402997     1.10568  0.709554    180         2.18851     180         
1 1 1 0  24 31 o 8.6282  3.83621 0.280491     1.06832  0.280491     1.06832  3.30494     360         9.84723     360         
1 1 1 0  24 32 o 9.00953 3.99812 0.338217     1.15444  0.338217     1.15444  8.52492     180         25.9024     180         
1 1 1 0  24 33 o 9.0566  4.04187 0.319159     1.1983   0.319159     1.1983   1.83806     180         7.46855     180         
1 1 1 0  24 34 o 6.68703 3.27891 -0.866763    1.17185  -0.866763    1.17185  3.88182     180         10.8681     180         
1 1 1 0  24 35 o 9.83066 4.33681 0.504983     1.33742  0.504983     1.33742  2.09863     360         13.607      360         
1 1 1 0  24 36 o 54.76   2.58032 17.0847      2.15333  17.0847      2.15333  52.7506     180         18.7327     180         
1 1 1 0  24 37 o 31.5844 4.6155  6.57508      1.98162  6.57508      1.98162  31.3918     180         13.0087     180         
1 1 1 0  24 38 o 9.28548 4.32928 -0.000703244 1.58862  -0.000703244 1.58862  1.0016      360         8.66776     360         
1 1 1 0  24 39 f 14.5696 5.65087 2.08827      1.82094  2.08827      1.82094  13.3518     360         0           0           
1 1 1 0  24 40 o 39.1893 4.14924 9.75257      2.33858  9.75257      2.33858  41.3047     360         21.0709     360         
1 1 1 0  24 41 o 22.1567 5.90628 4.19211      1.88601  4.19211      1.88601  13.2287     360         8.07413     180         
1 1 1 0  24 42 o 25.1647 5.84852 5.11041      2.01065  5.11041      2.01065  23.8833     360         9.13486     360         
1 1 1 0  24 43 o 40.7337 3.78632 10.4132      2.26113  10.4132      2.26113  38.457      1.67838e-06 13.4201     1.67838e-06 
1 1 1 0  24 44 f 15.468  6.09709 2.61318      2.15908  2.61318      2.15908  1.61737     0           0           0           
1 1 1 0  24 45 o 12.5084 5.52709 1.38925      2.18146  1.38925      2.18146  0.012228    180         0.534606    9.23201e-06 
1 1 1 0  24 46 f 7.12464 3.59589 -1.95959     1.76747  -1.95959     1.76747  0.437456    180         0           0           
1 1 1 0  24 47 o 27.7972 5.917   6.33102      2.20736  6.33102      2.20736  25.947      180         9.15093     180         
1 1 1 0  24 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  25 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  25 1  o 129.152 2.8092  91.982       5.57495  91.982       5.57495  136.294     90          62.2821     90          
1 1 1 0  25 2  o 11.5841 5.13451 0.481377     1.89794  0.481377     1.89794  2.55073     90.0001     8.11455     90.0001     
1 1 1 0  25 3  o 99.2286 2.17043 54.0855      3.30925  54.0855      3.30925  96.6902     90          31.8389     90          
1 1 1 0  25 4  o 61.1821 2.26106 20.6805      2.11686  20.6805      2.11686  40.8725     90          17.8372     270         
1 1 1 0  25 5  o 22.8956 4.73005 3.55883      1.44807  3.55883      1.44807  5.17785     90          24.698      270         
1 1 1 0  25 6  o 71.6208 2.16193 28.2546      2.37444  28.2546      2.37444  82.0745     90          47.646      90          
1 1 1 0  25 7  o 59.3158 2.26578 19.4563      2.05567  19.4563      2.05567  57.1726     270         17.8957     270         
1 1 1 0  25 8  o 108.622 1.94061 64.7007      3.24131  64.7007      3.24131  104.103     90          31.6604     90          
1 1 1 0  25 9  o 25.7841 4.8266  4.39015      1.65568  4.39015      1.65568  14.6488     270         9.66008     90          
1 1 1 0  25 10 o 23.2784 4.93118 3.72491      1.53951  3.72491      1.53951  8.44822     270         1.53875     270         
1 1 1 0  25 11 o 7.96464 3.66209 -0.0526614   1.07968  -0.0526614   1.07968  0.144826    270         0.348115    270         
1 1 1 0  25 12 o 27.1415 3.6119  4.47832      1.35346  4.47832      1.35346  21.1196     90          4.30699     90          
1 1 1 0  25 13 o 8.71117 3.83541 0.293114     1.04081  0.293114     1.04081  5.17581     270         13.161      270         
1 1 1 0  25 14 o 16.9025 4.61107 2.17004      1.13771  2.17004      1.13771  1.02202     90          24.5154     90          
1 1 1 0  25 15 o 15.0615 4.64159 1.81769      1.11697  1.81769      1.11697  4.09386     90          27.4064     90          
1 1 1 0  25 16 f 26.8254 5.25692 4.86017      1.87814  4.86017      1.87814  20.3689     270         0           0           
1 1 1 0  25 17 o 51.717  2.23687 14.8568      1.76598  14.8568      1.76598  47.1655     90          10.833      90          
1 1 1 0  25 18 o 28.1196 3.53842 4.7781       1.38762  4.7781       1.38762  11.6832     90          21.9546     270         
1 1 1 0  25 19 o 83.6145 6.45323 42.4515      8.05781  42.4515      8.05781  74.2183     270         13.7272     270         
1 1 1 0  25 20 o 17.8889 7.19604 2.7274       3.08722  2.7274       3.08722  2.17471     90          23.2495     270         
1 1 1 0  25 21 o 76.3276 4.67946 33.9957      5.40096  33.9957      5.40096  60.2159     90          2.24664     270         
1 1 1 0  25 22 o 31.3279 10.2128 9.45095      5.41314  9.45095      5.41314  19.339      270         14.0057     270         
1 1 1 0  25 23 o 51.3209 5.85379 16.509       4.26537  16.509       4.26537  48.0379     90          13.805      90          
1 1 1 0  25 24 o 67.241  3.44875 25.7892      3.5269   25.7892      3.5269   59.532      270         11.4215     270         
1 1 1 0  25 25 o 8.42357 4.15358 -1.63568     1.95167  -1.63568     1.95167  6.68647     90          17.9988     90          
1 1 1 0  25 26 o 49.2941 4.09043 14.3646      2.99306  14.3646      2.99306  42.2424     90          5.8064      90          
1 1 1 0  25 27 o 21.7087 6.82131 4.11956      2.41018  4.11956      2.41018  11.6755     90          8.04513     270         
1 1 1 0  25 28 o 9.73764 4.68284 -0.85814     2.13668  -0.85814     2.13668  1.04885     90          3.72979     90          
1 1 1 0  25 29 o 60.5383 3.48731 21.2395      3.19969  21.2395      3.19969  57.4993     90          18.8442     90          
1 1 1 0  25 30 o 41.3595 3.75684 10.2588      2.28451  10.2588      2.28451  49.1949     90          32.9696     90          
1 1 1 0  25 31 o 7.36666 3.65398 -1.44761     1.57563  -1.44761     1.57563  2.47108     270         7.34544     270         
1 1 1 0  25 32 o 12.5232 4.80324 1.38561      1.30063  1.38561      1.30063  1.35274     90          13.8666     270         
1 1 1 0  25 33 f 14.74   5.47736 2.01701      1.64512  2.01701      1.64512  15.47       90          0           0           
1 1 1 0  25 34 o 8.41766 3.87811 0.0508373    1.21933  0.0508373    1.21933  0.284013    90.0001     1.00006     90.0001     
1 1 1 0  25 35 o 10.4539 4.45898 0.791312     1.3087   0.791312     1.3087   3.7618      90          19.9436     90          
1 1 1 0  25 36 o 8.05791 3.83568 -0.342938    1.36299  -0.342938    1.36299  3.17269     270         13.0277     270         
1 1 1 0  25 37 o 23.1508 5.55278 4.23646      1.77252  4.23646      1.77252  17.4964     90          1.08492     270         
1 1 1 0  25 38 f 19.661  5.84242 3.46646      1.77856  3.46646      1.77856  26.4723     90          0           0           
1 1 1 0  25 39 o 7.59736 3.73402 -1.00569     1.54308  -1.00569     1.54308  1.24372     270         4.54843     270         
1 1 1 0  25 40 o 11.3143 4.89765 1.0358       1.62962  1.0358       1.62962  1.33895     90          7.98273     270         
1 1 1 0  25 41 o 37.6985 3.76879 8.95446      2.06198  8.95446      2.06198  36.4951     90          14.5887     90          
1 1 1 0  25 42 o 18.8322 5.99448 3.42876      1.86152  3.42876      1.86152  9.54783     90          0.413803    270         
1 1 1 0  25 43 o 15.4958 5.84984 2.55672      1.90098  2.55672      1.90098  3.12514     270         9.49858     90          
1 1 1 0  25 44 o 13.3547 5.57233 1.91786      1.96022  1.91786      1.96022  2.11652     270         6.02718     90          
1 1 1 0  25 45 o 27.6694 6.55958 6.81201      2.49356  6.81201      2.49356  17.3774     270         7.66287     90          
1 1 1 0  25 46 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  26 0  o 119.329 3.24898 78.5283      5.94996  78.5283      5.94996  125.71      180         59.3347     180         
1 1 1 0  26 1  o 49.2432 3.27184 13.7683      2.42772  13.7683      2.42772  34.0403     180         11.1843     360         
1 1 1 0  26 2  o 69.0297 2.93866 26.5831      3.09755  26.5831      3.09755  46.5465     0           18.0122     180         
1 1 1 0  26 3  o 76.5185 2.32306 32.3323      2.72575  32.3323      2.72575  64.6656     180         6.19079     180         
1 1 1 0  26 4  o 55.4943 2.44155 17.1221      2.0677   17.1221      2.0677   49.5885     0           9.88946     0           
1 1 1 0  26 5  o 45.2897 2.70708 11.5359      1.85573  11.5359      1.85573  35.8249     4.20696e-06 1.19359     180         
1 1 1 0  26 6  o 8.5988  3.95707 -0.0581843   1.26441  -0.0581843   1.26441  5.95154     8.65136e-06 15.0705     8.65136e-06 
1 1 1 0  26 7  o 57.8242 2.3245  18.5449      2.05438  18.5449      2.05438  56.4207     360         19.8963     360         
1 1 1 0  26 8  o 106.803 1.96489 62.6426      3.22661  62.6426      3.22661  93.4867     360         15.3767     360         
1 1 1 0  26 9  o 15.3252 5.09848 1.9464       1.35354  1.9464       1.35354  4.36767     8.65154e-06 29.5767     8.65154e-06 
1 1 1 0  26 10 o 29.7785 3.64806 5.33661      1.52247  5.33661      1.52247  23.4445     180         0.24469     8.65146e-06 
1 1 1 0  26 11 o 16.2166 5.02023 2.12648      1.30622  2.12648      1.30622  5.50955     360         35.5579     360         
1 1 1 0  26 12 o 9.05298 3.99089 0.321356     1.1305   0.321356     1.1305   5.19413     180         15.6694     180         
1 1 1 0  26 13 o 21.5719 4.49596 3.18843      1.29809  3.18843      1.29809  15.4509     360         0.000179291 360         
1 1 1 0  26 14 o 7.94126 3.60485 0.0681228    1.00256  0.0681228    1.00256  3.41924     180         10.0916     180         
1 1 1 0  26 15 o 41.0208 5.00852 10.3547      2.88113  10.3547      2.88113  22.4672     2.38331e-06 20.6585     180         
1 1 1 0  26 16 o 11.7916 5.56022 -0.518739    2.74489  -0.518739    2.74489  0.452291    8.65223e-06 6.80067     8.65224e-06 
1 1 1 0  26 17 o 13.5823 5.92094 1.06638      2.42075  1.06638      2.42075  0.940361    180         7.25573     8.65621e-06 
1 1 1 0  26 18 o 13.1023 5.98499 0.370363     2.82017  0.370363     2.82017  0.0983856   180         2.49376     360         
1 1 1 0  26 19 o 41.6889 5.43515 10.9687      3.13974  10.9687      3.13974  40.8222     180         15.3043     180         
1 1 1 0  26 20 o 46.2837 5.05186 13.1716      3.34553  13.1716      3.34553  40.4362     180         7.24861     180         
1 1 1 0  26 21 o 32.7607 8.31954 8.67741      3.83861  8.67741      3.83861  28.7835     180         6.40413     180         
1 1 1 0  26 22 o 34.1887 7.04004 8.46265      3.21723  8.46265      3.21723  21.4498     180         11.2963     8.65133e-06 
1 1 1 0  26 23 o 45.2355 4.38869 12.3318      2.89381  12.3318      2.89381  46.9734     2.0626e-05  41.3598     2.0626e-05  
1 1 1 0  26 24 o 127.36  3.46522 92.129       6.77311  92.129       6.77311  119.639     180         37.7352     180         
1 1 1 0  26 25 o 12.3466 5.52389 0.707854     2.25387  0.707854     2.25387  0.811818    360         9.40843     360         
1 1 1 0  26 26 o 24.4961 7.53659 5.44046      2.94523  5.44046      2.94523  11.2431     180         15.7149     8.65142e-06 
1 1 1 0  26 27 o 21.3148 7.48013 4.47138      2.96403  4.47138      2.96403  9.4755      180         13.6604     360         
1 1 1 0  26 28 o 9.80301 4.914   -3.10958     3.10086  -3.10958     3.10086  0.918942    8.76428e-06 5.66554     8.76428e-06 
1 1 1 0  26 29 o 12.1043 5.63311 0.237497     2.67033  0.237497     2.67033  1.43247     9.23832e-07 2.49001     180         
1 1 1 0  26 30 o 29.5039 7.74701 7.54482      3.26885  7.54482      3.26885  29.4305     0           13.4174     0           
1 1 1 0  26 31 o 26.5346 7.74507 6.53004      3.1379   6.53004      3.1379   20.0119     3.4133e-06  1.03265     180         
1 1 1 0  26 32 o 43.3452 5.00824 12.2045      3.075    12.2045      3.075    34.2412     180         0.794762    180         
1 1 1 0  26 33 f 22.1282 6.9309  4.66331      2.48839  4.66331      2.48839  0.705321    180         0           0           
1 1 1 0  26 34 o 18.5904 5.71333 3.09997      1.69273  3.09997      1.69273  11.9842     0           4.30515     180         
1 1 1 0  26 35 o 6.43897 3.17204 -0.878102    1.13103  -0.878102    1.13103  2.38217     180         7.23049     180         
1 1 1 0  26 36 o 8.74299 4.03817 0.113269     1.33407  0.113269     1.33407  4.97299     8.65142e-06 19.7792     8.65142e-06 
1 1 1 0  26 37 o 40.2495 3.1996  9.75995      1.91876  9.75995      1.91876  28.2731     180         5.66799     8.65142e-06 
1 1 1 0  26 38 o 16.584  5.66983 2.70459      1.68593  2.70459      1.68593  5.96355     180         12.6774     8.65141e-06 
1 1 1 0  26 39 o 12.0915 4.99181 1.37117      1.54482  1.37117      1.54482  1.26549     180         4.67903     8.65149e-06 
1 1 1 0  26 40 o 11.434  4.88766 1.12598      1.57946  1.12598      1.57946  0.578971    180         4.88423     180         
1 1 1 0  26 41 o 27.9173 5.32103 5.81135      1.97666  5.81135      1.97666  24.7999     1.11754e-06 9.02983     1.11754e-06 
1 1 1 0  26 42 o 24.5108 6.75235 5.75484      2.43     5.75484      2.43     21.1296     3.69902e-08 8.99266     3.69902e-08 
1 1 1 0  26 43 f 21.2872 6.99065 5.10256      2.53879  5.10256      2.53879  22.7649     360         0           0           
1 1 1 0  26 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  27 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  27 1  o 26.8921 5.01377 4.81937      1.79379  4.81937      1.79379  0.183357    90          43.1345     90          
1 1 1 0  27 2  o 52.5538 2.87345 15.5487      2.29257  15.5487      2.29257  33.3038     90          16.9704     270         
1 1 1 0  27 3  f 102.448 2.44697 58.0313      3.85033  58.0313      3.85033  64.1048     90          0           0           
1 1 1 0  27 4  o 12.4813 4.96535 1.22428      1.44837  1.22428      1.44837  0.676291    90          5.71608     270         
1 1 1 0  27 5  o 46.7899 2.72927 12.3399      1.93462  12.3399      1.93462  33.7074     270         6.95023     90          
1 1 1 0  27 6  o 13.6657 5.10655 1.56619      1.43621  1.56619      1.43621  2.29304     90          5.50724     270         
1 1 1 0  27 7  o 12.5599 4.94374 1.26488      1.41708  1.26488      1.41708  4.10686     270         24.913      270         
1 1 1 0  27 8  o 14.5988 5.16605 1.80929      1.41931  1.80929      1.41931  1.63097     90          1.69726     270         
1 1 1 0  27 9  o 6.71839 3.29657 -0.967347    1.1898   -0.967347    1.1898   12.6236     90          30.6225     90          
1 1 1 0  27 10 o 28.749  4.84781 5.38533      1.86223  5.38533      1.86223  11.4644     90          8.8482      90          
1 1 1 0  27 11 o 52.6392 2.37491 15.4724      1.90687  15.4724      1.90687  56.9282     90          30.4334     90          
1 1 1 0  27 12 o 21.1404 4.84551 3.20317      1.39445  3.20317      1.39445  9.09272     270         13.8806     90          
1 1 1 0  27 13 o 111.269 2.97707 69.2323      5.08436  69.2323      5.08436  106.188     90          36.2844     90          
1 1 1 0  27 14 o 37.5487 3.00331 8.13962      1.67935  8.13962      1.67935  32.067      270         4.80156     270         
1 1 1 0  27 15 o 8.90049 4.22766 -0.512323    1.63932  -0.512323    1.63932  2.76108     270         7.90936     270         
1 1 1 0  27 16 o 20.6824 7.21538 3.91028      2.75087  3.91028      2.75087  8.11318     90          0.734287    90          
1 1 1 0  27 17 o 25.3248 8.25417 5.9022       3.53585  5.9022       3.53585  17.1714     270         2.50867     90          
1 1 1 0  27 18 o 24.3948 7.41948 5.16156      2.85781  5.16156      2.85781  14.297      90          7.71639     270         
1 1 1 0  27 19 o 13.9603 6.11559 1.2011       2.61318  1.2011       2.61318  0.290011    270         6.32322     90          
1 1 1 0  27 20 o 23.9586 8.38487 5.63537      3.7199   5.63537      3.7199   2.89842     90          31.5674     270         
1 1 1 0  27 21 o 9.2046  4.65317 -3.93083     3.00684  -3.93083     3.00684  4.8832      90          14.933      90          
1 1 1 0  27 22 o 16.3281 6.74608 2.39353      2.82501  2.39353      2.82501  0.128255    269.999     0.0686057   89.9993     
1 1 1 0  27 23 o 44.2226 7.45818 14.0907      4.40693  14.0907      4.40693  52.161      270         35.3949     270         
1 1 1 0  27 24 o 14.3576 6.54198 1.05976      3.3418   1.05976      3.3418   3.03822     270         4.69752     90          
1 1 1 0  27 25 o 23.988  7.77798 5.58467      3.13784  5.58467      3.13784  18.6858     270         11.4295     270         
1 1 1 0  27 26 o 9.3515  4.5782  -1.33871     2.26181  -1.33871     2.26181  1.26565     90          8.24303     90          
1 1 1 0  27 27 o 60.858  3.89032 22.0826      3.57386  22.0826      3.57386  74.5303     270         54.3336     270         
1 1 1 0  27 28 o 11.617  5.41841 0.179607     2.49223  0.179607     2.49223  2.09734     270         17.2647     270         
1 1 1 0  27 29 o 36.2463 6.23868 9.44296      3.01694  9.44296      3.01694  25.8761     90          4.47684     270         
1 1 1 0  27 30 o 12.8928 5.81755 1.03807      2.56308  1.03807      2.56308  1.8456      90          2.2565      270         
1 1 1 0  27 31 o 13.2204 5.91107 1.28766      2.57626  1.28766      2.57626  2.37622     270         0.512311    90          
1 1 1 0  27 32 o 34.419  6.67907 9.13024      3.06048  9.13024      3.06048  24.1164     90          4.87474     270         
1 1 1 0  27 33 o 13.5819 6.04612 1.54878      2.66263  1.54878      2.66263  4.92759     270         4.19414     90          
1 1 1 0  27 34 f 14.0841 6.88479 0.0787823    5.06726  0.0787823    5.06726  17.5598     90          0           0           
1 1 1 0  27 35 o 10.2106 5.06235 -1.67703     3.0143   -1.67703     3.0143   0.0467535   90.0001     0.995602    270         
1 1 1 0  27 36 o 16.0465 6.98603 3.07375      3.35966  3.07375      3.35966  0.176946    269.999     0.0426503   269.999     
1 1 1 0  27 37 o 33.3765 9.6864  12.9188      4.91523  12.9188      4.91523  26.6016     270         2.3756      270         
1 1 1 0  27 38 o 12.5071 5.80795 0.95568      2.81529  0.95568      2.81529  0.193515    270         3.27252     270         
1 1 1 0  27 39 o 14.8199 6.68436 2.44928      3.37958  2.44928      3.37958  0.907282    90          14.8889     270         
1 1 1 0  27 40 o 34.1782 5.70455 8.83308      2.60739  8.83308      2.60739  35.0465     90          18.555      90          
1 1 1 0  27 41 f 9.55852 4.59617 -0.187201    2.05709  -0.187201    2.05709  5.11497     90          0           0           
1 1 1 0  27 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  28 0  o 98.0704 4.31585 54.2355      6.45917  54.2355      6.45917  80.2587     180         6.46437     180         
1 1 1 0  28 1  o 11.5234 4.94227 0.819592     1.62625  0.819592     1.62625  1.91012     180         9.31686     180         
1 1 1 0  28 2  o 10.0815 4.51379 0.328935     1.50811  0.328935     1.50811  7.09133     180         22.3686     180         
1 1 1 0  28 3  o 46.0622 3.66799 12.3732      2.51696  12.3732      2.51696  54.068      360         36.0691     360         
1 1 1 0  28 4  o 7.29007 3.62892 -1.68726     1.59691  -1.68726     1.59691  2.13711     180         5.2577      180         
1 1 1 0  28 5  o 18.3583 5.52193 2.76092      1.58541  2.76092      1.58541  6.34403     9.68428e-07 2.6324      180         
1 1 1 0  28 6  o 13.0851 5.19952 1.39837      1.58586  1.39837      1.58586  0.521307    180         8.22889     180         
1 1 1 0  28 7  o 32.854  3.845   6.54084      1.78524  6.54084      1.78524  16.6465     180         18.2212     360         
1 1 1 0  28 8  o 12.2388 4.9512  1.1744       1.47319  1.1744       1.47319  1.89368     8.65527e-06 11.5546     8.65528e-06 
1 1 1 0  28 9  o 16.6838 5.4003  2.35172      1.51237  2.35172      1.51237  3.51884     360         4.16401     180         
1 1 1 0  28 10 o 24.8709 4.75402 4.18496      1.5734   4.18496      1.5734   0.838318    0           37.1945     180         
1 1 1 0  28 11 o 33.4488 3.37381 6.62755      1.63559  6.62755      1.63559  18.949      180         14.4316     8.6513e-06  
1 1 1 0  28 12 o 9.85169 4.33065 0.451933     1.32163  0.451933     1.32163  17.2296     8.65137e-06 46.5031     8.65137e-06 
1 1 1 0  28 13 o 41.7148 2.625   9.88719      1.65405  9.88719      1.65405  35.0263     180         4.86194     180         
1 1 1 0  28 14 o 17.4443 6.59026 2.79175      2.41419  2.79175      2.41419  4.4803      360         3.75125     180         
1 1 1 0  28 15 o 39.6819 4.97513 9.91914      2.75511  9.91914      2.75511  41.0097     180         20.3264     180         
1 1 1 0  28 16 o 16.0281 6.99395 1.93725      3.38548  1.93725      3.38548  3.0417      0           4.91581     180         
1 1 1 0  28 17 o 11.4395 5.40603 -0.355881    2.61973  -0.355881    2.61973  0.533086    8.65009e-06 3.6218      8.65009e-06 
1 1 1 0  28 18 o 25.412  7.68719 5.84612      3.06994  5.84612      3.06994  20.8195     360         8.78429     360         
1 1 1 0  28 19 o 47.7589 6.99813 15.8488      4.54135  15.8488      4.54135  47.1957     180         20.1703     180         
1 1 1 0  28 20 o 19.5126 7.3649  3.86487      3.01267  3.86487      3.01267  9.85115     360         8.33629     180         
1 1 1 0  28 21 o 19.615  6.93562 3.76092      2.55719  3.76092      2.55719  13.1281     1.60273e-06 3.54921     1.60273e-06 
1 1 1 0  28 22 o 7.61103 3.90477 -4.55636     2.5097   -4.55636     2.5097   5.05237     8.66348e-06 15.9598     8.66348e-06 
1 1 1 0  28 23 o 17.7621 6.80544 3.17415      2.60826  3.17415      2.60826  10.3297     360         0.349176    180         
1 1 1 0  28 24 o 12.84   5.78389 0.934016     2.52057  0.934016     2.52057  1.65835     0           8.24811     180         
1 1 1 0  28 25 o 16.2589 6.5869  2.64366      2.61271  2.64366      2.61271  4.082       180         0.735208    360         
1 1 1 0  28 26 o 9.97236 4.83975 -0.945233    2.39872  -0.945233    2.39872  1.60124     8.65143e-06 9.26596     8.65142e-06 
1 1 1 0  28 27 f 10.825  5.25889 -0.951491    2.84873  -0.951491    2.84873  11.5226     3.44541e-06 0           0           
1 1 1 0  28 28 o 16.8161 6.7748  3.04463      2.74215  3.04463      2.74215  9.5591      180         4.62506     8.65149e-06 
1 1 1 0  28 29 o 16.0648 6.65566 2.76284      2.76247  2.76284      2.76247  0.668502    0.000130646 0.267406    0.000130646 
1 1 1 0  28 30 o 54.9131 4.40258 19.0499      3.59951  19.0499      3.59951  42.4721     180         0.954926    180         
1 1 1 0  28 31 o 10.2849 5.09441 -1.69331     3.03158  -1.69331     3.03158  0.0442074   5.32162e-05 0.949453    180         
1 1 1 0  28 32 o 28.2819 9.52728 10.1644      4.74     10.1644      4.74     26.3643     180         10.7292     180         
1 1 1 0  28 33 o 14.3627 7.00493 0.748212     5.1727   0.748212     5.1727   4.78135     8.79782e-07 3.11756     180         
1 1 1 0  28 34 o 10.9735 5.38146 -0.930058    3.15923  -0.930058    3.15923  0.298495    180         7.34693     180         
1 1 1 0  28 35 o 9.06848 4.60047 -3.35281     3.04687  -3.35281     3.04687  0.205257    180         0.674876    180         
1 1 1 0  28 36 o 10.0374 5.02828 -2.24272     3.22908  -2.24272     3.22908  0.696578    8.82381e-06 2.43333     8.82381e-06 
1 1 1 0  28 37 o 12.2084 5.86261 0.419407     3.32421  0.419407     3.32421  0.334836    8.69593e-06 8.24716     8.69593e-06 
1 1 1 0  28 38 o 11.9078 5.63604 0.804921     2.86692  0.804921     2.86692  0.824139    180         5.04501     8.63458e-06 
1 1 1 0  28 39 o 13.1116 6.03919 1.70601      2.95436  1.70601      2.95436  4.23545     180         6.79219     360         
1 1 1 0  28 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  29 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  29 1  o 17.5963 5.95189 2.7232       1.85192  2.7232       1.85192  0.779228    89.9998     0.317239    270         
1 1 1 0  29 2  o 60.0034 2.77548 20.3211      2.53898  20.3211      2.53898  40.3009     90          12.4347     270         
1 1 1 0  29 3  f 18.1923 6.08503 2.91431      1.93028  2.91431      1.93028  19.9751     270         0           0           
1 1 1 0  29 4  o 13.2436 5.69337 1.19793      2.16892  1.19793      2.16892  2.01451     90          16.3935     90          
1 1 1 0  29 5  o 10.7061 4.7245  0.551723     1.5885   0.551723     1.5885   1.64006     90          6.56749     90          
1 1 1 0  29 6  o 10.3042 4.60497 0.404912     1.56145  0.404912     1.56145  4.05419     90          14.2743     90          
1 1 1 0  29 7  o 10.2547 4.61259 0.345774     1.59613  0.345774     1.59613  3.28694     270         11.8367     270         
1 1 1 0  29 8  o 8.18673 3.90946 -0.525064    1.43768  -0.525064    1.43768  4.32301     270         11.7063     270         
1 1 1 0  29 9  o 20.6749 5.51436 3.36625      1.64359  3.36625      1.64359  8.18759     270         2.55305     270         
1 1 1 0  29 10 o 25.3701 4.96105 4.45571      1.67612  4.45571      1.67612  9.26495     270         20.5456     90          
1 1 1 0  29 11 o 18.4291 5.44345 2.81647      1.54582  2.81647      1.54582  4.58358     90          0.511227    90          
1 1 1 0  29 12 f 53.9216 2.57394 16.454       2.11452  16.454       2.11452  55.9698     270         0           0           
1 1 1 0  29 13 o 60.5641 2.38199 20.6139      2.20567  20.6139      2.20567  44.6207     270         4.20654     90          
1 1 1 0  29 14 o 16.5591 6.22611 2.59108      2.14593  2.59108      2.14593  2.09811     270         19.668      90          
1 1 1 0  29 15 o 37.3328 8.74909 11.7486      4.47244  11.7486      4.47244  29.134      270         0.771503    270         
1 1 1 0  29 16 o 12.083  5.66467 0.0565912    2.78034  0.0565912    2.78034  0.483229    270         1.52267     90.0001     
1 1 1 0  29 17 o 8.61751 4.35098 -3.19803     2.59707  -3.19803     2.59707  0.174831    90.0004     0.834553    90.0004     
1 1 1 0  29 18 o 11.8896 5.75425 -0.970795    3.33843  -0.970795    3.33843  0.674036    89.9999     2.39231     270         
1 1 1 0  29 19 o 17.8568 7.15788 3.30673      3.03994  3.30673      3.03994  6.33742     270         1.51327     270         
1 1 1 0  29 20 o 84.9506 3.39202 41.9264      4.40464  41.9264      4.40464  75.7017     90          21.2226     90          
1 1 1 0  29 21 o 30.1641 7.08775 7.39724      2.92964  7.39724      2.92964  13.778      90          18.5996     270         
1 1 1 0  29 22 o 33.1001 6.75855 8.41358      2.98782  8.41358      2.98782  34.0698     270         18.0599     270         
1 1 1 0  29 23 o 13.894  6.13047 1.558        2.67371  1.558        2.67371  3.46634     90          9.61383     270         
1 1 1 0  29 24 o 13.0382 5.88914 1.13296      2.63462  1.13296      2.63462  0.894794    270         16.1471     90          
1 1 1 0  29 25 o 14.6672 6.32065 2.06524      2.68726  2.06524      2.68726  5.1738      90          0.735976    90          
1 1 1 0  29 26 o 11.1539 5.31648 -0.15224     2.63504  -0.15224     2.63504  1.23706     270         3.01349     90          
1 1 1 0  29 27 o 32.6014 7.08492 8.73476      3.10985  8.73476      3.10985  34.4078     270         19.6502     270         
1 1 1 0  29 28 o 17.9299 7.03232 3.72248      2.85538  3.72248      2.85538  10.556      90          2.39949     90          
1 1 1 0  29 29 o 12.8989 5.91797 1.13645      2.79843  1.13645      2.79843  2.02569     270         22.0225     270         
1 1 1 0  29 30 o 16.7983 6.88505 3.36877      2.905    3.36877      2.905    8.37051     270         1.00537     270         
1 1 1 0  29 31 o 12.7757 6.03377 0.771394     3.2546   0.771394     3.2546   0.885765    89.9999     1.90504     270         
1 1 1 0  29 32 o 34.9665 9.47373 13.3017      4.81669  13.3017      4.81669  29.7352     90          7.15886     90          
1 1 1 0  29 33 o 35.0381 7.14901 10.2388      3.34525  10.2388      3.34525  31.6421     90          11.3677     90          
1 1 1 0  29 34 o 16.6046 7.20287 3.65516      3.54163  3.65516      3.54163  4.2276      90          10.1392     270         
1 1 1 0  29 35 o 10.7371 5.33929 -1.26886     3.42925  -1.26886     3.42925  2.37146     90          13.8689     90          
1 1 1 0  29 36 o 8.03041 4.1088  -3.61021     2.6826   -3.61021     2.6826   2.05972     90          7.88062     90          
1 1 1 0  29 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  30 0  o 14.9263 6.28435 1.60065      2.53421  1.60065      2.53421  2.02563     8.66418e-06 12.9816     8.66418e-06 
1 1 1 0  30 1  o 10.3944 4.74389 0.264422     1.76664  0.264422     1.76664  0.0546297   0.000143808 0.372308    0.000143808 
1 1 1 0  30 2  o 9.20991 4.37135 -0.411335    1.7466   -0.411335    1.7466   1.9521      8.72694e-06 7.50725     8.72694e-06 
1 1 1 0  30 3  o 48.6818 3.14924 13.7538      2.313    13.7538      2.313    40.6289     180         6.7881      180         
1 1 1 0  30 4  o 21.4357 6.94276 4.26505      2.49984  4.26505      2.49984  10.8587     0           10.1339     180         
1 1 1 0  30 5  o 21.6465 6.78602 4.25053      2.3854   4.25053      2.3854   14.6937     180         1.6071      8.62146e-06 
1 1 1 0  30 6  o 9.04909 4.27843 -0.320643    1.64429  -0.320643    1.64429  1.02319     180         4.30484     180         
1 1 1 0  30 7  o 10.1408 4.59565 0.328169     1.62094  0.328169     1.62094  2.61648     180         14.333      180         
1 1 1 0  30 8  o 32.2865 4.47954 6.70529      1.98246  6.70529      1.98246  15.9004     180         17.508      8.68447e-06 
1 1 1 0  30 9  o 18.9039 5.77002 3.09686      1.72767  3.09686      1.72767  11.358      180         4.4369      360         
1 1 1 0  30 10 o 24.4933 5.28647 4.38928      1.74137  4.38928      1.74137  13.54       0           10.2206     180         
1 1 1 0  30 11 o 19.6964 5.65921 3.25484      1.6824   3.25484      1.6824   13.8772     360         0.541433    360         
1 1 1 0  30 12 o 50.1884 4.55472 15.6292      3.36129  15.6292      3.36129  45.1881     8.02282e-07 13.9084     8.02282e-07 
1 1 1 0  30 13 o ?       ?       -11.0029     0.490964 -11.0029     0.490964 3.0846      180         0           0           
1 1 1 0  30 14 o 14.6323 6.82759 0.931657     3.9634   0.931657     3.9634   1.99235     0           1.6255      180         
1 1 1 0  30 15 o 35.3782 7.71795 10.1223      3.67869  10.1223      3.67869  25.7734     180         2.21174     8.65346e-06 
1 1 1 0  30 16 f 28.4659 8.0003  7.50826      3.38594  7.50826      3.38594  14.7614     0           0           0           
1 1 1 0  30 17 o 14.7994 6.78903 1.48373      3.68126  1.48373      3.68126  0.879334    180         0.472283    8.65174e-06 
1 1 1 0  30 18 o 12.3193 5.81357 0.162567     3.01085  0.162567     3.01085  1.35642     180         8.55412     8.65139e-06 
1 1 1 0  30 19 o 26.9554 7.53991 6.70049      3.01249  6.70049      3.01249  19.2324     3.884e-06   2.23299     180         
1 1 1 0  30 20 f 21.8778 7.45147 5.03252      2.90849  5.03252      2.90849  18.0633     180         0           0           
1 1 1 0  30 21 o 25.8236 7.54589 6.4003       2.97778  6.4003       2.97778  11.0102     180         16.9721     360         
1 1 1 0  30 22 o 11.8264 5.54529 0.353264     2.66619  0.353264     2.66619  1.97194     180         3.35945     8.65144e-06 
1 1 1 0  30 23 o 13.7054 6.13488 1.57614      2.78403  1.57614      2.78403  1.29131     1.18368e-06 0.364921    180         
1 1 1 0  30 24 o 13.4582 6.07553 1.45701      2.79941  1.45701      2.79941  1.70151     180         0.991114    8.65139e-06 
1 1 1 0  30 25 o 44.8595 5.39924 13.8001      3.40548  13.8001      3.40548  37.9739     3.19269e-06 8.56667     3.19269e-06 
1 1 1 0  30 26 o 12.4764 5.8032  0.85608      2.82828  0.85608      2.82828  1.0605      8.65143e-06 18.4659     8.65144e-06 
1 1 1 0  30 27 o 20.3264 7.47199 4.92045      3.03714  4.92045      3.03714  14.4527     180         1.3369      180         
1 1 1 0  30 28 o 11.0053 5.3107  -0.294442    2.79849  -0.294442    2.79849  1.37967     8.65142e-06 10.7529     8.65142e-06 
1 1 1 0  30 29 f 12.1901 5.74217 0.612473     2.91447  0.612473     2.91447  2.013       6.10255e-06 0           0           
1 1 1 0  30 30 o 10.7331 5.22099 -0.577142    2.82901  -0.577142    2.82901  3.44701     8.65159e-06 12.6799     8.65159e-06 
1 1 1 0  30 31 o 13.4055 6.48352 0.770958     4.22239  0.770958     4.22239  0.357473    7.76713e-06 2.98078     180         
1 1 1 0  30 32 o 15.9706 6.83442 3.41678      3.09534  3.41678      3.09534  1.6802      180         18.2448     8.66973e-06 
1 1 1 0  30 33 o 12.0694 5.84836 0.453392     3.47185  0.453392     3.47185  1.53098     180         4.93254     8.80308e-06 
1 1 1 0  30 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  31 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  31 1  o 14.4967 5.78014 1.96433      1.96841  1.96433      1.96841  3.49447     270         7.74973     90          
1 1 1 0  31 2  o 31.4559 5.41576 6.86166      2.27282  6.86166      2.27282  21.0574     90          5.3304      270         
1 1 1 0  31 3  o 10.9592 4.95934 0.503011     1.8791   0.503011     1.8791   2.31669     270         14.4222     270         
1 1 1 0  31 4  o 19.6271 7.01574 3.90396      2.63131  3.90396      2.63131  8.64962     270         10.5811     90          
1 1 1 0  31 5  o 10.2583 4.81472 -0.0836279   2.01807  -0.0836279   2.01807  0.250833    90          1.50507     90          
1 1 1 0  31 6  o 12.7863 5.34536 1.38361      1.8099   1.38361      1.8099   0.84439     270         7.78416     90          
1 1 1 0  31 7  o 14.4591 5.64104 1.97771      1.82628  1.97771      1.82628  3.12225     270         5.92466     90          
1 1 1 0  31 8  o 7.95848 3.89016 -0.983265    1.61726  -0.983265    1.61726  0.494878    90          1.50079     90          
1 1 1 0  31 9  o 10.3121 4.70639 0.344356     1.73892  0.344356     1.73892  1.32899     90          8.71898     90          
1 1 1 0  31 10 o 7.43766 3.6632  -1.12662     1.50609  -1.12662     1.50609  1.59818     90          4.72465     90          
1 1 1 0  31 11 o 11.0188 4.7892  0.838347     1.5728   0.838347     1.5728   0.295095    90          4.66108     270         
1 1 1 0  31 12 o 6.14415 3.11593 -2.03126     1.39294  -2.03126     1.39294  8.90843     90          22.6415     90          
1 1 1 0  31 13 o 32.9764 9.69491 11.708       4.90842  11.708       4.90842  27.851      270         6.25592     270         
1 1 1 0  31 14 o 18.1495 7.48647 3.83756      3.46989  3.83756      3.46989  10.7666     270         4.43897     270         
1 1 1 0  31 15 o 15.7972 6.86469 2.57889      3.22992  2.57889      3.22992  5.22678     90          1.46689     90          
1 1 1 0  31 16 o 18.2829 7.78515 4.13964      3.97563  4.13964      3.97563  9.72177     270         3.97416     270         
1 1 1 0  31 17 o 22.7316 8.09073 6.0025       3.49148  6.0025       3.49148  9.75785     270         6.74406     270         
1 1 1 0  31 18 o 16.8078 6.90949 3.20774      2.93946  3.20774      2.93946  8.79559     90          0.808358    90          
1 1 1 0  31 19 o 9.04318 4.54146 -2.49661     2.69162  -2.49661     2.69162  0.323625    90          1.92968     90          
1 1 1 0  31 20 o 36.4585 6.86263 10.4328      3.32876  10.4328      3.32876  39.5933     90          25.0454     90          
1 1 1 0  31 21 o 11.4994 5.48283 0.0460629    2.80662  0.0460629    2.80662  0.523396    270         1.82176     89.9999     
1 1 1 0  31 22 o 44.4226 5.75597 13.9933      3.54704  13.9933      3.54704  42.4368     270         18.7884     270         
1 1 1 0  31 23 o 44.8009 5.72362 14.2133      3.56624  14.2133      3.56624  49.715      90          32.8843     90          
1 1 1 0  31 24 o 14.5439 6.61579 2.1251       3.3992   2.1251       3.3992   2.92158     270         4.18977     90          
1 1 1 0  31 25 o 18.5464 7.32626 4.30947      3.12547  4.30947      3.12547  7.07939     270         8.46308     90          
1 1 1 0  31 26 o 10.8283 5.26953 -0.594567    2.88909  -0.594567    2.88909  0.133995    90          0.526325    90          
1 1 1 0  31 27 o 18.3912 7.32866 4.35097      3.16198  4.35097      3.16198  5.79976     270         10.5074     90          
1 1 1 0  31 28 o 17.5953 7.47676 4.45338      3.65161  4.45338      3.65161  3.78821     270         0.499324    90          
1 1 1 0  31 29 o 12.4515 5.86992 1.11942      3.05586  1.11942      3.05586  0.82414     90          3.55594     270         
1 1 1 0  31 30 o 13.4586 6.54856 1.32503      4.45775  1.32503      4.45775  1.35331     90          0.750036    270         
1 1 1 0  31 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  32 0  o 13.2795 6.03238 0.613672     2.81383  0.613672     2.81383  0.0340829   180         7.37061     180         
1 1 1 0  32 1  o 50.6525 3.3591  15.2845      2.56404  15.2845      2.56404  38.7219     180         2.08618     180         
1 1 1 0  32 2  o 10.3691 4.93432 -0.250569    2.25233  -0.250569    2.25233  0.710154    180         3.09219     8.65155e-06 
1 1 1 0  32 3  o 12.2    5.36501 1.10972      2.03034  1.10972      2.03034  3.13014     180         6.29879     360         
1 1 1 0  32 4  o 9.95066 4.76246 -0.415521    2.15701  -0.415521    2.15701  0.136704    0           7.07901     180         
1 1 1 0  32 5  o 23.5789 7.26227 5.43686      2.73448  5.43686      2.73448  20.5759     1.98576e-06 7.3492      1.98576e-06 
1 1 1 0  32 6  o 20.2733 6.32325 3.8563       2.07148  3.8563       2.07148  8.6076      180         12.7409     8.65144e-06 
1 1 1 0  32 7  o 12.5337 5.36401 1.34275      1.90697  1.34275      1.90697  2.85569     180         8.45481     8.65144e-06 
1 1 1 0  32 8  o 11.7726 5.14974 1.04562      1.8464   1.04562      1.8464   1.67764     180         2.75236     360         
1 1 1 0  32 9  o 17.272  5.99925 2.94371      1.89831  2.94371      1.89831  7.22519     360         10.2019     180         
1 1 1 0  32 10 o 12.8869 5.31665 1.54777      1.75051  1.54777      1.75051  3.35102     360         4.44573     180         
1 1 1 0  32 11 o ?       ?       ?            ?        ?            ?        10.1453     5.40706e-07 0           0           
1 1 1 0  32 12 o 10.5799 4.49714 0.885647     1.32193  0.885647     1.32193  3.89458     180         20.6931     180         
1 1 1 0  32 13 o 13.8337 6.7619  -0.0546955   4.88585  -0.0546955   4.88585  2.6489      360         1.99241     180         
1 1 1 0  32 14 o 30.519  8.51438 9.42988      3.84513  9.42988      3.84513  7.62453     360         29.8929     180         
1 1 1 0  32 15 o 14.7495 6.84742 1.90604      3.90919  1.90604      3.90919  2.99384     360         0.754672    180         
1 1 1 0  32 16 o 9.87929 4.94896 -2.3587      3.12727  -2.3587      3.12727  0.53169     180         5.52432     180         
1 1 1 0  32 17 o 14.2197 6.40487 1.95194      3.09017  1.95194      3.09017  2.50323     2.40328e-06 0.945781    180         
1 1 1 0  32 18 o 14.1258 6.36393 1.91437      3.05265  1.91437      3.05265  3.54854     1.96032e-06 8.36112     180         
1 1 1 0  32 19 f 19.589  7.82492 5.13252      3.61612  5.13252      3.61612  9.28705     180         0           0           
1 1 1 0  32 20 o 11.9903 5.70921 0.331404     3.02379  0.331404     3.02379  0.403535    8.65144e-06 5.53231     8.65144e-06 
1 1 1 0  32 21 o 15.0424 6.62803 2.51654      3.11431  2.51654      3.11431  0.495412    180         14.3155     360         
1 1 1 0  32 22 o 22.9146 7.93162 6.26681      3.3137   6.26681      3.3137   9.53545     180         2.88641     180         
1 1 1 0  32 23 o 12.55   5.92187 0.823782     3.12274  0.823782     3.12274  1.41612     360         11.8004     360         
1 1 1 0  32 24 o 11.0888 5.39305 -0.295452    3.01547  -0.295452    3.01547  3.49307     8.66765e-06 16.5679     8.66766e-06 
1 1 1 0  32 25 o 12.0122 5.72927 0.712454     3.06958  0.712454     3.06958  0.314582    180         11.0134     180         
1 1 1 0  32 26 o 11.3929 5.51444 0.163873     3.06768  0.163873     3.06768  0.42379     180         1.89425     360         
1 1 1 0  32 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  32 28 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  33 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  33 1  o 8.7984  4.36494 -1.58481     2.25146  -1.58481     2.25146  1.3364      270         6.13829     270         
1 1 1 0  33 2  o 8.73279 4.30109 -1.22842     2.07633  -1.22842     2.07633  3.37477     90          13.3326     90          
1 1 1 0  33 3  o 8.3867  4.16037 -1.50107     2.04422  -1.50107     2.04422  0.627219    90.0001     2.5596      90.0001     
1 1 1 0  33 4  o 21.095  7.38294 4.98782      2.88405  4.98782      2.88405  12.2527     90          5.46562     270         
1 1 1 0  33 5  o 10.7077 5.06983 0.0516427    2.32351  0.0516427    2.32351  0.0171366   270         6.26112     90          
1 1 1 0  33 6  o 14.6191 5.92186 2.25135      2.11139  2.25135      2.11139  0.416797    270         0.0476956   89.9999     
1 1 1 0  33 7  o 11.5882 5.19697 0.942541     2.00869  0.942541     2.00869  2.72976     270         19.8408     270         
1 1 1 0  33 8  o 13.7725 5.68154 1.93297      1.99875  1.93297      1.99875  2.01555     90          0.988969    270         
1 1 1 0  33 9  o 9.59541 4.53862 -0.0689398   1.85376  -0.0689398   1.85376  0.999111    270         7.06351     270         
1 1 1 0  33 10 o 16.9235 6.26339 3.0834       2.14458  3.0834       2.14458  7.56211     270         0.880244    270         
1 1 1 0  33 11 o 13.3941 6.38895 0.849044     3.81875  0.849044     3.81875  1.83802     90          8.91134     270         
1 1 1 0  33 12 o 14.1287 7.17795 -2.47906     7.53437  -2.47906     7.53437  1.39327     90          2.74829     270         
1 1 1 0  33 13 o 13.2615 6.44652 0.276535     4.29597  0.276535     4.29597  0.396324    270         2.47116     90          
1 1 1 0  33 14 o 12.1693 5.94922 -0.459244    3.78541  -0.459244    3.78541  0.28698     90          3.17611     90          
1 1 1 0  33 15 o 34.073  8.5559  11.3855      4.0867   11.3855      4.0867   29.132      90          9.57435     90          
1 1 1 0  33 16 f 17.7711 7.32294 4.09506      3.31447  4.09506      3.31447  7.50444     270         0           0           
1 1 1 0  33 17 o 30.0696 8.24042 9.23165      3.6267   9.23165      3.6267   23.8251     270         5.75158     270         
1 1 1 0  33 18 f 29.1705 8.27135 8.98396      3.60851  8.98396      3.60851  21.5432     90          0           0           
1 1 1 0  33 19 o 18.0682 7.40525 4.55364      3.36036  4.55364      3.36036  7.01834     270         6.53439     90          
1 1 1 0  33 20 o 11.9777 5.74744 0.562886     3.18253  0.562886     3.18253  0.175738    270         5.5868      90          
1 1 1 0  33 21 o 17.3283 7.27081 4.40546      3.37092  4.40546      3.37092  5.26672     270         0.995642    270         
1 1 1 0  33 22 o 9.91179 4.96173 -1.75783     3.12456  -1.75783     3.12456  0.637476    270         8.53266     270         
1 1 1 0  33 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  33 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  34 0  o 15.9422 7.30533 1.40755      4.24668  1.40755      4.24668  3.14219     180         13.5057     180         
1 1 1 0  34 1  o 9.53006 4.62898 -0.679025    2.20495  -0.679025    2.20495  1.88297     180         5.78876     180         
1 1 1 0  34 2  o 8.24479 4.13132 -1.98214     2.18452  -1.98214     2.18452  0.116307    180         0.307595    180         
1 1 1 0  34 3  o 23.5401 7.05999 5.51434      2.59281  5.51434      2.59281  14.0746     180         0.721779    8.65139e-06 
1 1 1 0  34 4  o 48.9695 4.34052 15.4745      3.13398  15.4745      3.13398  38.4152     360         6.15359     360         
1 1 1 0  34 5  f 9.38583 4.64116 -1.38075     2.48549  -1.38075     2.48549  8.75235     180         0           0           
1 1 1 0  34 6  o 12.1046 5.42633 1.15206      2.18732  1.15206      2.18732  1.6404      8.66398e-06 8.37216     8.66398e-06 
1 1 1 0  34 7  o 14.6913 5.98725 2.35355      2.17766  2.35355      2.17766  0.641026    4.83061e-06 8.61236     180         
1 1 1 0  34 8  o 11.5139 5.33823 0.680937     2.36415  0.680937     2.36415  0.041233    7.97029e-06 0.206497    7.97029e-06 
1 1 1 0  34 9  o 8.57955 4.28196 -1.75917     2.26993  -1.75917     2.26993  0.842278    180         2.36259     180         
1 1 1 0  34 10 o 12.0033 5.55154 0.912229     2.53387  0.912229     2.53387  0.181552    180         1.67734     180         
1 1 1 0  34 11 o 13.6277 6.84041 -0.597632    6.07984  -0.597632    6.07984  0.556977    4.27878e-06 5.89024     180         
1 1 1 0  34 12 o 15.0683 6.89586 2.87671      3.76723  2.87671      3.76723  1.85226     180         2.49415     8.80427e-06 
1 1 1 0  34 13 o 9.17403 4.70863 -4.71073     3.67009  -4.71073     3.67009  1.89539     8.79886e-06 6.93706     8.79886e-06 
1 1 1 0  34 14 o 11.8718 5.93896 -1.10136     4.45159  -1.10136     4.45159  0.296925    0           5.42323     180         
1 1 1 0  34 15 o 24.1667 8.38948 7.87906      3.71151  7.87906      3.71151  14.7146     180         4.70689     360         
1 1 1 0  34 16 o 15.2846 6.85107 3.21994      3.48554  3.21994      3.48554  0.450833    180         0.0456876   180         
1 1 1 0  34 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  34 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  35 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  35 1  o 16.1321 6.72094 3.48184      2.84395  3.48184      2.84395  0.844179    90          20.4343     270         
1 1 1 0  35 2  o 18.147  7.10524 4.42262      2.90916  4.42262      2.90916  9.77178     90          1.56182     90          
1 1 1 0  35 3  o 9.56    4.75735 -1.40141     2.73764  -1.40141     2.73764  0.679532    270         5.01366     270         
1 1 1 0  35 4  o 13.3655 6.06928 1.92846      2.84509  1.92846      2.84509  3.20278     270         6.59347     90          
1 1 1 0  35 5  o 14.3055 6.54857 2.50583      3.40047  2.50583      3.40047  2.30659     270         0.472784    90          
1 1 1 0  35 6  o ?       ?       ?            ?        ?            ?        16.462      270         0           0           
1 1 1 0  35 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  35 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  35 9  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 0  35 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  0  1  o 491     2.12479 1312.87      16.0639  1312.87      16.0639  363.291     90          194.84      270         
1 1 1 1  0  2  o 441.498 1.96061 1061.47      13.3282  1061.47      13.3282  577.296     180         326.141     180         
1 1 1 1  0  3  o 19.0392 2.80424 2.21198      0.724896 2.21198      0.724896 135.694     89.9999     285.101     89.9999     
1 1 1 1  0  4  o 23.8984 2.50043 3.30759      0.861086 3.30759      0.861086 11.5234     0.000114949 25.0697     0.000114949 
1 1 1 1  0  5  o 276.232 1.80627 415.577      7.68182  415.577      7.68182  317.257     270         116.499     270         
1 1 1 1  0  6  o 189.583 2.07997 195.848      6.06891  195.848      6.06891  250.16      360         149.094     360         
1 1 1 1  0  7  o 71.1063 2.10109 27.675       2.29145  27.675       2.29145  22.3544     90          158.422     90          
1 1 1 1  0  8  o 81.1747 1.82411 35.9873      2.27492  35.9873      2.27492  11.5989     360         9.07254     180         
1 1 1 1  0  9  o 56.8168 1.86805 17.6913      1.62631  17.6913      1.62631  54.2672     270         187.261     270         
1 1 1 1  0  10 o 104.744 1.83282 59.8505      2.95215  59.8505      2.95215  70.6741     6.93117e-05 1.07281     6.93114e-05 
1 1 1 1  0  11 o 253.375 1.82397 349.695      7.11493  349.695      7.11493  320.187     270         166.651     270         
1 1 1 1  0  12 o 260.838 1.82674 370.603      7.33571  370.603      7.33571  296.53      180         105.642     180         
1 1 1 1  0  13 o 415.945 1.85466 942.248      11.8782  942.248      11.8782  378.353     270         19.9881     90          
1 1 1 1  0  14 o 160.717 1.83506 140.764      4.53887  140.764      4.53887  188.268     180         114.939     180         
1 1 1 1  0  15 o 55.0485 1.9817  16.6291      1.66988  16.6291      1.66988  20.1025     270         71.7885     270         
1 1 1 1  0  16 o 41.497  2.14744 9.52647      1.35498  9.52647      1.35498  18.9448     2.49905e-06 48.9389     2.49905e-06 
1 1 1 1  0  17 o 584.43  1.90724 1859.89      17.1635  1859.89      17.1635  593.227     270         99.0217     270         
1 1 1 1  0  18 o 208.409 1.84943 236.606      5.93322  236.606      5.93322  226.423     180         65.6215     180         
1 1 1 1  0  19 o 838.839 2.00348 3831.5       25.8787  3831.5       25.8787  714.014     270         129.448     90          
1 1 1 1  0  20 o 425.056 2.16448 983.94       14.1657  983.94       14.1657  351.653     6.08084e-07 84.9858     180         
1 1 1 1  0  21 o 10.5494 4.57472 0.486289     1.42758  0.486289     1.42758  17.5795     270         35.6048     270         
1 1 1 1  0  22 o 250.719 2.16396 342.444      8.3518   342.444      8.3518   288.489     2.98878e-07 113.233     2.98878e-07 
1 1 1 1  0  23 o 14.0504 5.23668 1.55389      1.50722  1.55389      1.50722  40.1876     90          81.8479     90          
1 1 1 1  0  24 o 169.672 2.73479 157.038      7.13696  157.038      7.13696  191.717     180         88.5487     180         
1 1 1 1  0  25 o 177.516 2.42358 171.816      6.61941  171.816      6.61941  186.536     90          47.5775     90          
1 1 1 1  0  26 o 248.884 1.88703 337.444      7.23022  337.444      7.23022  210.982     180         35.846      8.82671e-06 
1 1 1 1  0  27 o 357.534 1.88663 696.285      10.3858  696.285      10.3858  403.64      90          150.647     90          
1 1 1 1  0  28 o 223.029 1.89709 271.031      6.51323  271.031      6.51323  242.607     180         76.2744     180         
1 1 1 1  0  29 o 420.93  1.90283 965.183      12.3327  965.183      12.3327  439.069     270         107.635     270         
1 1 1 1  0  30 o 147.683 1.92929 118.923      4.38411  118.923      4.38411  191.658     360         113.757     360         
1 1 1 1  0  31 o 179.612 1.92537 175.857      5.3225   175.857      5.3225   85.4335     270         156.742     90          
1 1 1 1  0  32 o 256.016 2.03287 357.225      8.01204  357.225      8.01204  214.501     180         37.095      8.64969e-06 
1 1 1 1  0  33 o 172.988 1.93886 163.154      5.16185  163.154      5.16185  146.336     270         21.6598     90          
1 1 1 1  0  34 o 74.2097 2.21577 30.1708      2.52178  30.1708      2.52178  77.3771     360         30.9123     360         
1 1 1 1  0  35 o 69.399  2.30428 26.4226      2.4501   26.4226      2.4501   73.3378     90          33.3592     90          
1 1 1 1  0  36 o 42.7172 3.14047 10.2732      2.01006  10.2732      2.01006  16.0632     180         14.1036     360         
1 1 1 1  0  37 o 127.682 2.03685 88.9853      4.00018  88.9853      4.00018  174.645     270         119.367     270         
1 1 1 1  0  38 o 12.8193 5.12077 1.19141      1.54867  1.19141      1.54867  4.70584     8.65312e-06 10.6326     8.65311e-06 
1 1 1 1  0  39 o 11.0402 4.78706 0.550994     1.56281  0.550994     1.56281  41.1592     90          91.6845     90          
1 1 1 1  0  40 o 50.3137 2.83101 14.0874      2.16049  14.0874      2.16049  40.4165     180         6.97024     8.65101e-06 
1 1 1 1  0  41 o 73.8321 3.11282 30.1398      3.50999  30.1398      3.50999  86.2206     270         41.235      270         
1 1 1 1  0  42 o 23.1301 5.7831  3.87976      1.87192  3.87976      1.87192  0.143593    180         4.59406     2.23118e-05 
1 1 1 1  0  43 o 141.086 2.35935 109.015      5.11938  109.015      5.11938  116.212     90          18.2304     270         
1 1 1 1  0  44 o 73.6309 3.47921 30.2415      3.9038   30.2415      3.9038   80.5621     4.41921e-06 30.6484     4.41921e-06 
1 1 1 1  0  45 o 65.9707 2.40283 24.0364      2.42611  24.0364      2.42611  79.8433     270         43.0931     270         
1 1 1 1  0  46 o 105.227 2.12086 60.7835      3.43031  60.7835      3.43031  110.489     180         35.5046     180         
1 1 1 1  0  47 o 33.0167 3.84479 6.5092       1.79561  6.5092       1.79561  34.767      90          23.9585     90          
1 1 1 1  0  48 o 48.6516 2.81074 13.3075      2.07235  13.3075      2.07235  55.2983     180         25.3319     180         
1 1 1 1  0  49 o 53.0592 2.71711 15.7744      2.19272  15.7744      2.19272  52.5564     270         12.3774     270         
1 1 1 1  0  50 o 45.1739 2.99432 11.6085      2.03843  11.6085      2.03843  55.9751     2.39778e-06 33.2304     2.39778e-06 
1 1 1 1  0  51 o 13.9332 5.33904 1.63865      1.60551  1.63865      1.60551  1.37832     90          2.24147     270         
1 1 1 1  0  52 o 52.0301 2.89985 15.3463      2.28922  15.3463      2.28922  63.172      180         36.2217     180         
1 1 1 1  0  53 o 15.2778 5.5939  2.05341      1.69758  2.05341      1.69758  4.03767     270         7.22482     90          
1 1 1 1  0  54 o 12.4157 5.16645 1.1879       1.67706  1.1879       1.67706  0.29388     360         11.8939     180         
1 1 1 1  0  55 o 8.86148 4.27008 -0.758852    1.79549  -0.758852    1.79549  0.397872    270         1.98046     270         
1 1 1 1  0  56 o 32.2341 4.69559 6.78909      2.05847  6.78909      2.05847  30.8058     180         6.49092     180         
1 1 1 1  0  57 o 17.493  6.45064 3.03404      2.26866  3.03404      2.26866  10.683      90          5.3407      270         
1 1 1 1  0  58 o 27.2643 6.11104 5.77883      2.25651  5.77883      2.25651  27.9893     180         9.85382     180         
1 1 1 1  0  59 o 15.1255 6.60602 2.25659      3.02681  2.25659      3.02681  9.84848     90          1.75578     90          
1 1 1 1  0  60 o 12.4069 5.78796 0.685697     2.84595  0.685697     2.84595  3.06334     180         1.66989     8.65078e-06 
1 1 1 1  0  61 o 8.82351 4.40802 -1.95389     2.42482  -1.95389     2.42482  0.400337    90.0001     5.43198     90.0001     
1 1 1 1  0  62 o 12.4398 5.37273 1.40865      1.95121  1.40865      1.95121  1.23968     180         10.6952     8.65132e-06 
1 1 1 1  0  63 o 59.0684 3.06733 20.7654      2.75468  20.7654      2.75468  69.5458     90          40.5413     90          
1 1 1 1  0  64 o 24.1174 6.35016 5.36381      2.19327  5.36381      2.19327  25.5346     180         16.794      180         
1 1 1 1  0  65 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  1  0  f 448.669 2.31616 1096.33      16.0004  1096.33      16.0004  287.945     270         0           0           
1 1 1 1  1  1  o 494.026 2.23257 1343.5       16.1907  1314.95      17.725   762.517     278.018     621.451     278.018     
1 1 1 1  1  2  o 428.443 2.15954 1045.45      12.9683  954.942      15.3036  618.77      12.7646     453.932     12.7646     
1 1 1 1  1  3  o 403.934 2.03287 890.466      12.1549  886.638      13.1141  398.783     68.5386     49.4834     68.5386     
1 1 1 1  1  4  o 206.284 1.80096 218.511      5.71064  245.322      5.71706  197.84      115.453     29.5544     115.453     
1 1 1 1  1  5  o 234.755 1.80588 296.129      6.52703  304.101      6.52853  238.922     12.9823     57.1645     12.9823     
1 1 1 1  1  6  o 67.173  1.82692 21.3961      1.87054  28.0446      1.87627  2.46338     87.6551     35.6051     267.655     
1 1 1 1  1  7  o 215.48  2.01142 251.102      6.41222  254.614      6.92948  89.6344     7.91568     212.356     187.916     
1 1 1 1  1  8  o 122.374 1.95503 81.2434      3.40811  81.8643      3.94269  43.5669     343.959     117.862     163.959     
1 1 1 1  1  9  o 76.5643 1.83628 31.2014      2.15976  32.7288      2.16309  3.14893     17.1376     85.9768     197.138     
1 1 1 1  1  10 o 185.331 1.96676 184.237      5.98937  189.92       5.19528  100.635     228.375     128.351     48.3753     
1 1 1 1  1  11 f 49.803  2.14591 16.7224      1.68298  10.7331      1.55601  65.7797     173.643     0           0           
1 1 1 1  1  12 o 362.726 1.84076 700.128      10.2739  733.326      10.2857  343.664     135.016     22.0754     135.016     
1 1 1 1  1  13 o 378.411 1.84618 761          10.7482  799.127      10.7631  377.093     359.925     60.589      359.925     
1 1 1 1  1  14 o 192.485 1.83174 193.716      5.42148  210.034      5.43101  201.483     199.152     79.6217     199.152     
1 1 1 1  1  15 o 188.14  1.8387  196.988      5.32869  188.6        5.32355  174.736     196.675     28.9196     196.675     
1 1 1 1  1  16 o 267.539 1.98073 381.513      7.56367  398.176      8.73682  272.03      267.689     65.7239     267.689     
1 1 1 1  1  17 o 245.183 1.84295 329.618      6.95988  325.096      6.95617  194.753     188.255     50.7334     8.25489     
1 1 1 1  1  18 o 240.544 1.84941 327.086      6.8535   303.299      6.84052  280.283     348.319     140.457     348.319     
1 1 1 1  1  19 o 550.387 1.90362 1642.08      16.1298  1657.12      16.1376  458.04      313.522     99.3769     133.522     
1 1 1 1  1  20 f 362.846 2.15514 723.303      12.0456  710.724      12.0372  443.753     33.521      0           0           
1 1 1 1  1  21 o 160.362 2.38595 134.939      5.88521  145.278      5.89273  139.566     278.27      15.876      278.27      
1 1 1 1  1  22 o 47.3919 2.81432 13.3598      2.04316  11.3258      2.01705  72.0252     239.845     188.281     239.845     
1 1 1 1  1  23 o 311.865 2.37796 529.026      11.4205  530.522      11.4193  223.197     225.756     115.32      45.7564     
1 1 1 1  1  24 o 142.281 2.35558 112.082      5.40329  108.488      4.91409  65.0551     233.229     103.549     53.2288     
1 1 1 1  1  25 o 148.57  2.23273 116.005      5.09911  124.566      5.11263  109.151     193.471     26.2219     13.4708     
1 1 1 1  1  26 o 350.772 1.95122 683.661      10.9073  656.987      10.1704  323.399     137.087     10.9139     137.087     
1 1 1 1  1  27 o 172.288 1.90989 161.803      5.06551  161.617      5.06856  177.419     18.8365     57.2999     18.8365     
1 1 1 1  1  28 o 363.311 1.95664 736.421      11.3191  702.203      10.5745  370.94      195.3       82.4083     195.3       
1 1 1 1  1  29 o 106.867 1.99153 61.5035      3.26926  63.0626      3.27941  82.6218     340.952     13.1307     160.952     
1 1 1 1  1  30 o 301.447 1.89307 502.433      8.79129  488.043      8.78249  265.863     97.6626     13.936      277.663     
1 1 1 1  1  31 o 54.6547 2.35043 16.1319      1.95973  16.5702      1.97783  17.2978     61.9843     22.2951     241.984     
1 1 1 1  1  32 o 68.8583 2.20409 25.8372      2.32063  25.9806      2.34143  3.17699     294.883     118.708     294.883     
1 1 1 1  1  33 o 254.038 1.91036 351.217      7.46997  352.417      7.47629  265.28      30.5743     75.4517     30.5743     
1 1 1 1  1  34 o 178.478 1.94278 172.587      5.34028  174.778      5.33847  157.472     65.0219     2.50748     245.022     
1 1 1 1  1  35 o 168.559 2.02249 156.571      5.42119  153.331      5.07552  94.2723     335.971     112.312     155.971     
1 1 1 1  1  36 o 61.6165 2.4341  21.6844      2.28536  19.9111      2.31081  47.6883     295.218     12.7961     295.218     
1 1 1 1  1  37 f 187.721 1.95866 189.876      5.65588  194.589      5.6674   125.764     72.8928     0           0           
1 1 1 1  1  38 o 162.613 1.99109 144.465      4.98802  144.119      4.98361  181.465     347.223     76.6793     347.223     
1 1 1 1  1  39 o 221.609 1.95474 267.034      6.67     269.142      6.67115  222.801     280.297     50.9442     280.297     
1 1 1 1  1  40 o 57.0742 2.93361 17.9475      2.56276  17.9655      2.55861  53.7871     192.223     30.8765     192.223     
1 1 1 1  1  41 f 49.0774 3.33166 13.2291      2.49408  13.5363      2.47932  35.3039     304.71      0           0           
1 1 1 1  1  42 o 26.2925 4.55316 2.03264      1.80603  6.1249       2.05098  2.82054     353.267     6.94847     173.267     
1 1 1 1  1  43 o 17.4595 4.77102 1.13651      1.80982  1.20125      1.83253  5.6096      87.456      23.4055     87.456      
1 1 1 1  1  44 o 53.3646 3.16899 14.8275      2.28249  17.0227      2.87366  30.5769     352.732     29.5209     172.732     
1 1 1 1  1  45 f 28.5266 4.44594 4.1834       1.78896  5.4438       2.01882  23.8521     319.898     0           0           
1 1 1 1  1  46 o 35.9992 3.36286 8.1564       1.81042  6.63678      1.80782  30.9088     151.157     5.01594     151.157     
1 1 1 1  1  47 f 62.4527 2.47635 20.4501      2.36564  22.9784      2.37209  55.1684     5.55769     0           0           
1 1 1 1  1  48 o 43.1107 3.01704 11.6034      1.96506  9.48415      1.96848  35.351      164.344     0.9602      344.344     
1 1 1 1  1  49 o 46.115  2.93356 10.347       2.03029  13.8532      2.05536  44.9171     234.947     12.5813     234.947     
1 1 1 1  1  50 o 55.5035 2.76335 17.6985      2.45043  17.125       2.24074  60.8348     237.798     27.5329     237.798     
1 1 1 1  1  51 o 60.1578 2.6071  20.7728      2.38683  20.1236      2.41898  54.3137     196.941     6.2199      196.941     
1 1 1 1  1  52 o 14.3445 4.2401  0.154249     1.58862  0.772266     1.56149  1.19753     111.974     2.46518     291.974     
1 1 1 1  1  53 o 32.7865 3.98886 5.28886      1.90848  7.91856      1.93458  33.6361     34.4611     19.3273     34.4611     
1 1 1 1  1  54 o 12.9858 4.02416 -1.52673     1.64583  0.822092     1.60389  0.945231    41.7721     3.23396     221.772     
1 1 1 1  1  55 o 15.7013 4.53422 1.26646      1.77941  0.833117     1.69393  6.53222     358.729     4.53415     178.729     
1 1 1 1  1  56 o 24.5461 4.99208 4.2879       1.99808  4.14763      1.97758  23.241      164.205     12.0262     164.205     
1 1 1 1  1  57 o 20.7132 5.25487 2.94053      2.1453   3.14609      2.11781  14.2291     260.519     5.75593     260.519     
1 1 1 1  1  58 o 17.1544 4.98972 0.650764     2.0269   2.59709      2.27823  9.031       143.914     5.39777     323.914     
1 1 1 1  1  59 o 18.3068 5.16153 -1.06661     2.77196  4.06322      2.35126  12.524      286.276     0.398327    106.276     
1 1 1 1  1  60 o 22.6653 5.9088  4.43471      2.99657  4.72293      2.51301  18.3742     191.076     4.78559     191.076     
1 1 1 1  1  61 o 14.8947 4.66656 0.022293     2.13915  1.50427      2.15694  1.18075     280.271     19.0758     100.271     
1 1 1 1  1  62 o 15.7115 4.72124 1.64669      2.03626  1.24769      1.95138  5.33432     185.022     5.96816     5.02246     
1 1 1 1  1  63 o 15.9688 4.72684 0.294569     2.02886  2.70166      2.04139  5.06165     245.835     5.90136     65.8349     
1 1 1 1  1  64 o 19.6205 5.22417 3.96353      2.18175  3.32789      2.12071  13.5204     114.94      1.45187     114.94      
1 1 1 1  1  65 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  2  0  o 206.087 2.06857 231.403      6.56166  231.403      6.56166  231.551     270         76.7929     270         
1 1 1 1  2  1  o 165.871 2.05175 166          5.69142  134.494      4.80223  23.9874     158.634     348.463     158.634     
1 1 1 1  2  2  o 177.762 2.33895 163.78       6.973    180.622      5.69382  147.101     223.727     17.8651     43.7267     
1 1 1 1  2  3  o 127.296 1.91811 76.476       3.72922  100.851      3.73819  27.3878     176.131     279.407     176.131     
1 1 1 1  2  4  o 186.736 2.00748 201.072      5.53531  179.037      5.96255  104.248     79.4825     126.078     259.483     
1 1 1 1  2  5  o 278.715 1.96502 446.529      7.77912  400.171      8.96286  194.965     310.417     121.013     130.417     
1 1 1 1  2  6  o 387.998 1.89686 804.941      11.6898  834.785      10.9482  349.677     284.988     17.5505     104.988     
1 1 1 1  2  7  o 468.776 1.854   1223.02      13.3883  1170.63      13.3739  434.603     303.827     0.0462139   123.826     
1 1 1 1  2  8  o 295.527 1.82121 487.545      8.28988  463.819      8.28237  291.891     223.763     46.0181     223.763     
1 1 1 1  2  9  o 300.791 1.82461 482.875      8.44671  502.665      8.45347  309.142     171.001     71.8022     171.001     
1 1 1 1  2  10 o 83.289  1.84128 36.3934      2.35525  39.2698      2.35962  1.11637     276.26      119.555     276.26      
1 1 1 1  2  11 o 119.44  2.00061 82.9689      3.38656  72.6697      3.90372  45.8748     302.725     102.856     122.725     
1 1 1 1  2  12 o 186.415 1.97658 189.831      5.24939  188.758      6.06665  130.574     239.309     65.9233     59.3092     
1 1 1 1  2  13 o 306.485 1.83689 526.929      8.67289  496.536      8.66022  315.052     284.042     75.5325     284.042     
1 1 1 1  2  14 o 476.302 2.01595 1257.68      15.8267  1213.82      13.7031  402.144     222.261     74.8927     42.2614     
1 1 1 1  2  15 o 30.2931 2.55558 6.66301      1.22536  3.69887      1.0672   61.8552     10.6951     137.879     10.6951     
1 1 1 1  2  16 o 307.155 1.84562 506.088      8.72579  521.493      8.73188  259.111     78.8682     39.967      258.868     
1 1 1 1  2  17 o 118.413 1.87253 73.3729      3.40864  79.3955      3.41654  83.6922     39.4592     1.45119     39.459      
1 1 1 1  2  18 o 329.345 1.85436 604.041      9.41114  577.419      9.39465  278.639     25.2057     43.0755     205.206     
1 1 1 1  2  19 o 574.368 2.20567 1767.19      19.4942  1826.28      19.5189  425.498     131.572     209.086     311.572     
1 1 1 1  2  20 o 298.441 2.14691 479.517      9.86089  490.623      9.87115  307.059     3.33641     76.8126     3.33641     
1 1 1 1  2  21 o 394.258 1.87889 845.583      11.4054  847.366      11.4087  418.484     240.682     120.899     240.682     
1 1 1 1  2  22 o 414.04  2.52904 933.928      16.998   933.635      15.2012  433.861     16.4637     116.594     16.4637     
1 1 1 1  2  23 o 42.0159 3.75382 9.77641      2.38395  9.77521      2.3652   66.7068     38.6815     160.394     38.6815     
1 1 1 1  2  24 o 83.6581 2.07592 36.9381      2.67004  39.4173      2.66802  6.96153     274.311     13.4637     94.3109     
1 1 1 1  2  25 o 232.245 2.18748 309.42       7.83128  278.656      7.80044  191.68      40.547      27.6928     220.547     
1 1 1 1  2  26 o 299.896 2.10248 494.566      9.32359  485.419      10.0731  225.912     293.128     90.7558     113.128     
1 1 1 1  2  27 o 188.585 1.9041  200.024      5.53609  187.583      5.51921  158.871     89.5391     15.8763     269.539     
1 1 1 1  2  28 o 87.6455 2.0495  38.7823      2.75281  45.1508      2.76013  65.0605     99.8867     25.2627     99.8867     
1 1 1 1  2  29 o 221.131 1.89473 264.769      6.44969  268.161      6.45392  213.337     140.235     30.6243     140.235     
1 1 1 1  2  30 o 42.6189 2.67674 12.0289      1.70418  8.13697      1.71325  1.35705     230.392     37.176      230.392     
1 1 1 1  2  31 o 137.909 1.94429 99.9966      4.12013  107.404      4.13438  116.047     262.622     7.55551     82.6216     
1 1 1 1  2  32 o 147.488 1.94597 121.302      4.42692  115.892      4.41087  106.549     243.628     45.8053     63.6282     
1 1 1 1  2  33 o 88.1604 2.10085 40.304       2.83467  44.6132      2.85675  81.6882     219.458     26.7996     219.458     
1 1 1 1  2  34 o 185.858 1.93545 177.511      5.51494  199.492      5.55147  135.275     312.271     61.3884     132.271     
1 1 1 1  2  35 o 105.977 2.0601  60.3093      3.35505  62.2981      3.36192  104.942     319.484     29.9172     319.484     
1 1 1 1  2  36 o 246.987 1.93345 328.805      7.35191  336.576      7.35445  220.852     176.548     0.131342    356.548     
1 1 1 1  2  37 o 22.9088 4.40692 3.79569      1.63595  2.13857      1.62295  9.93766     228.411     30.7175     228.411     
1 1 1 1  2  38 o 111.523 2.09031 66.7786      3.58384  69.1035      3.58864  100.418     269.967     7.11618     269.967     
1 1 1 1  2  39 o 17.4152 4.54722 1.9712       1.66485  0.464441     1.65827  12.1372     165.956     34.7326     165.956     
1 1 1 1  2  40 o 65.6597 2.7716  21.9309      2.78231  25.561       2.78375  63.0409     98.1882     21.2245     98.1882     
1 1 1 1  2  41 o 124.811 2.05371 82.6045      3.94194  87.8211      3.94975  113.61      156.795     9.16909     156.795     
1 1 1 1  2  42 o 95.9838 2.75778 47.7486      4.06891  53.795       4.05407  98.5869     6.4102      32.3437     6.4102      
1 1 1 1  2  43 o 86.3959 2.86752 41.0941      4.13534  41.4149      3.43531  71.5058     207.262     6.42687     27.2622     
1 1 1 1  2  44 o 53.5092 2.74725 14.3175      2.30791  17.5553      2.14735  53.0624     42.5102     17.7255     42.5102     
1 1 1 1  2  45 o 13.8127 4.24485 0.509416     1.70441  -1.25807     1.76445  5.62832     293.5       24.7055     293.5       
1 1 1 1  2  46 o 114.342 2.17492 72.5101      3.96758  71.7511      3.68019  107.411     200.488     15.1553     200.488     
1 1 1 1  2  47 o 46.897  2.84801 12.7033      2.02557  12.0163      2.04592  47.2094     270.05      17.108      270.05      
1 1 1 1  2  48 o 46.9058 2.89788 10.7135      2.03196  14.2139      2.08286  45.4914     19.618      13.1391     19.618      
1 1 1 1  2  49 o 47.7921 2.94186 10.2634      2.07909  15.8927      2.12708  50.3253     252.334     20.7131     252.334     
1 1 1 1  2  50 o 41.5375 3.40089 10.3108      2.00653  9.66582      2.24124  40.3527     352.585     11.5406     352.585     
1 1 1 1  2  51 o 13.8172 4.14731 0.610929     1.55008  -0.115606    1.54202  0.707843    16.2527     12.8289     196.253     
1 1 1 1  2  52 o 45.4495 3.05903 12.2842      2.12996  11.5678      2.09947  36.9915     197.829     1.84508     17.8294     
1 1 1 1  2  53 o 61.862  2.64129 20.9744      2.49683  22.6558      2.50925  50.8544     141.835     3.06851     321.835     
1 1 1 1  2  54 o 13.9587 4.22672 -0.499217    1.65591  0.938945     1.65794  1.53981     344.35      21.0731     344.35      
1 1 1 1  2  55 f 24.4176 4.79526 4.17175      1.85922  3.89544      1.87744  24.1036     63.0183     0           0           
1 1 1 1  2  56 o 19.8943 5.10918 3.06163      2.05552  2.22859      2.00811  11.2894     342.077     6.80851     162.077     
1 1 1 1  2  57 o 25.9436 4.5106  2.37581      1.93369  7.01306      1.95591  23.3519     72.903      8.81373     72.903      
1 1 1 1  2  58 o 18.7489 5.35964 0.836481     2.46614  3.53294      2.50888  10.5759     226.79      5.33981     226.79      
1 1 1 1  2  59 o 31.4644 4.93114 7.82655      2.22741  6.65562      2.43394  22.452      114.318     6.07729     294.318     
1 1 1 1  2  60 o 20.385  4.92646 5.52241      2.19142  -0.125356    2.39099  16.2234     148.916     5.58318     148.916     
1 1 1 1  2  61 o 21.0182 5.53266 3.08575      2.21589  4.68215      2.58323  14.0316     35.2817     2.43022     215.282     
1 1 1 1  2  62 o 19.6069 5.14627 2.9671       2.0807   3.35188      2.06377  10.156      302.74      2.75468     302.74      
1 1 1 1  2  63 o 13.9327 4.41093 -0.922553    1.98953  1.62086      2.03706  2.4606      72.7984     6.4966      252.798     
1 1 1 1  2  64 o 14.43   4.61764 0.113273     2.09458  1.7909       2.31901  3.15208     158.594     0.234906    158.594     
1 1 1 1  2  65 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  3  0  o 493.102 1.84028 1324.04      13.9728  1324.04      13.9728  473.633     270         23.7568     270         
1 1 1 1  3  1  o 75.4453 1.99169 31.2453      2.21774  30.8361      2.3971   21.4861     13.1923     153.778     13.1923     
1 1 1 1  3  2  o 322.349 2.18949 577.14       11.3616  554.755      10.3686  283.616     243.088     24.9816     63.0883     
1 1 1 1  3  3  f 526.781 2.14678 1502.96      17.4122  1519.56      17.4161  437.441     172.012     0           0           
1 1 1 1  3  4  o 408.932 1.95738 948.128      12.3289  873.94       12.3082  490.426     192.904     229.096     192.904     
1 1 1 1  3  5  o 200.198 1.85512 223.594      5.91179  212.979      5.52658  195.706     235.164     40.8804     235.164     
1 1 1 1  3  6  o 310.251 2.03626 565.391      10.8764  484.574      8.5779   245.699     200.133     77.6067     20.1332     
1 1 1 1  3  7  o 422.161 1.91223 942.116      12.8149  999.428      12.0018  307.611     136.824     166.401     316.824     
1 1 1 1  3  8  o 83.912  1.90546 44.2164      2.35181  32.9697      2.5015   16.1958     136.696     73.1108     316.696     
1 1 1 1  3  9  o 309.144 1.97813 537.79       8.70586  503.536      10.0299  305.173     154.048     47.8681     154.048     
1 1 1 1  3  10 f 455.734 1.92047 1103.76      13.0214  1159.12      13.9343  532.899     45.8839     0           0           
1 1 1 1  3  11 o 148.714 1.89026 120.895      4.47223  120.031      4.18138  124.296     35.2217     8.37658     35.2217     
1 1 1 1  3  12 f 176.795 1.82592 177.978      4.97356  162.681      4.96139  249.483     138.488     0           0           
1 1 1 1  3  13 o 376.698 1.9111  782.566      11.4597  763.249      10.7072  419.597     160.88      152.776     160.88      
1 1 1 1  3  14 o 315.941 1.83947 550.795      8.95209  536.484      8.94541  343.626     92.7472     117.754     92.7472     
1 1 1 1  3  15 o 460.12  1.93755 1171.99      13.2592  1134.05      14.1646  482.475     240.653     120.138     240.653     
1 1 1 1  3  16 o 445.661 2.01797 1073.11      12.8233  1090.11      14.8173  396.654     327.382     25.8627     147.382     
1 1 1 1  3  17 o 453.767 1.94244 1147.11      13.1136  1095.71      13.9923  438.424     99.7829     43.6325     99.7828     
1 1 1 1  3  18 o 828.607 2.22192 3748.61      29.4204  3729.63      27.2449  763.257     321.275     5.95445     141.275     
1 1 1 1  3  19 o 383.964 2.26066 800.236      13.9555  805.583      12.7458  375.101     82.5236     49.0281     82.5236     
1 1 1 1  3  20 o 612.514 1.99193 2045.52      19.3959  2040.7       18.1612  624.467     85.6189     122.777     85.6189     
1 1 1 1  3  21 o 518.764 2.20115 1463.91      17.5817  1467.44      17.5856  361.496     26.0519     228.868     206.052     
1 1 1 1  3  22 o 428.679 2.38772 1002.99      15.765   998.901      15.7585  410.521     300.086     42.2404     300.086     
1 1 1 1  3  23 o 536.658 2.20875 1580.54      18.2568  1556.9       18.2485  486.685     13.1885     6.09521     193.189     
1 1 1 1  3  24 o 319.909 2.01256 552.08       9.90973  562.832      9.91838  211.171     243.122     155.447     63.1222     
1 1 1 1  3  25 o 104.646 2.1352  59.6466      3.44091  59.7666      3.43334  49.0622     327.577     61.1247     147.577     
1 1 1 1  3  26 o 79.196  2.43269 34.4385      2.94745  34.0504      2.97163  12.0965     83.4909     150.561     83.4909     
1 1 1 1  3  27 o 154.246 2.05567 128.126      4.87896  131.158      4.88596  134.391     247.197     1.89979     247.197     
1 1 1 1  3  28 o 268.848 1.88945 403.21       7.83004  384.566      7.81162  204.083     303.02      77.6092     123.02      
1 1 1 1  3  29 o 124.344 1.95938 80.2609      3.7401   88.3586      3.75773  106.566     254.481     0.254251    74.4799     
1 1 1 1  3  30 o 122.8   1.96852 84.6766      3.73083  79.7411      3.71207  116.039     12.2045     24.0305     12.2046     
1 1 1 1  3  31 o 34.5298 3.1611  8.22636      1.65613  5.19138      1.5688   16.8404     318.028     61.6878     318.028     
1 1 1 1  3  32 o 98.459  2.05431 48.269       3.09441  57.7472      3.11051  58.8039     173.795     48.2324     353.795     
1 1 1 1  3  33 o 220.078 1.91712 262.437      6.49465  265.676      6.49924  196.845     43.1214     0.298234    43.1216     
1 1 1 1  3  34 o 75.0918 2.29595 32.0427      2.561    29.6232      2.72385  60.6556     249.402     1.42486     249.401     
1 1 1 1  3  35 o 34.8743 3.41983 6.38554      1.82542  7.1839       1.73535  15.7604     314.83      78.3697     314.83      
1 1 1 1  3  36 o 152.899 1.97983 130.137      4.66675  124.909      4.65497  159.242     319.288     50.7455     319.288     
1 1 1 1  3  37 o 78.2213 2.25803 31.393       2.70967  35.584       2.71037  65.8069     336.21      3.35558     336.21      
1 1 1 1  3  38 o 141.785 2.01938 112.743      4.42276  106.746      4.39347  102.598     254.554     45.336      74.5536     
1 1 1 1  3  39 o 46.8814 3.22427 13.1702      2.28429  11.2086      2.29736  34.4932     62.2835     13.7917     62.2835     
1 1 1 1  3  40 o 116.924 2.39587 78.3391      4.28494  71.5017      4.32466  105.23      261.411     6.67553     261.411     
1 1 1 1  3  41 o 90.7008 2.48268 40.7341      3.56086  49.814       3.30188  91.184      266.356     28.2082     266.356     
1 1 1 1  3  42 o 33.7941 4.22437 5.85162      2.09331  7.26455      2.13457  16.4853     223.148     9.63552     43.1476     
1 1 1 1  3  43 o 20.1723 4.65379 2.2593       1.65832  2.20281      1.66371  4.01967     85.8038     30.0062     85.8038     
1 1 1 1  3  44 o 22.1137 4.48814 2.31654      1.62402  3.34836      1.62473  6.16669     113.186     45.5723     113.186     
1 1 1 1  3  45 o 58.456  2.84679 18.4836      2.42266  19.623       2.67057  57.3532     160.611     15.6527     160.611     
1 1 1 1  3  46 o 55.2275 2.96382 17.7065      2.38332  16.4944      2.60268  61.5858     115.002     31.3698     115.002     
1 1 1 1  3  47 o 73.5821 2.44573 29.233       2.85385  30.9733      2.66148  71.914      100.168     17.4077     100.168     
1 1 1 1  3  48 o 66.2736 2.46771 24.5175      2.51043  24.4392      2.50861  48.648      295.832     16.6622     115.832     
1 1 1 1  3  49 o 27.5733 4.27824 4.30335      1.81626  4.86244      1.7181   20.7609     84.5077     1.67563     264.508     
1 1 1 1  3  50 o 38.2865 3.38949 7.39721      1.91888  9.69262      1.9601   29.9058     274.902     4.0184      94.9021     
1 1 1 1  3  51 o 16.7369 4.2905  -0.834821    1.64206  2.81564      1.66737  3.97316     301.693     13.3047     121.693     
1 1 1 1  3  52 o 54.6313 2.78525 18.5032      2.33493  15.6261      2.30767  50.7115     276.077     9.62246     276.077     
1 1 1 1  3  53 o 19.7032 4.72352 1.78216      1.71986  2.92853      1.74541  8.30665     45.2857     1.84228     45.2857     
1 1 1 1  3  54 o 19.1938 4.75971 2.61742      1.74236  1.94065      1.75683  8.26358     197.564     10.2677     17.564      
1 1 1 1  3  55 o 32.4989 4.54439 6.844        2.17872  7.01557      2.20857  26.1741     339.975     0.164619    159.975     
1 1 1 1  3  56 o 17.7643 4.77069 2.79024      1.87654  0.777602     1.87885  7.43329     216.686     3.3218      216.686     
1 1 1 1  3  57 o 20.5833 5.28838 2.93897      2.24959  3.10748      2.09098  11.9051     177.229     5.6574      177.229     
1 1 1 1  3  58 o 15.6063 4.76591 0.664281     2.23807  1.15649      1.9716   8.12951     259.507     1.40718     259.507     
1 1 1 1  3  59 o 21.3232 4.82566 0.475881     2.15236  5.81154      2.14689  17.8086     251.384     4.97476     251.384     
1 1 1 1  3  60 f 14.1612 4.41337 1.07179      1.86833  -0.0584282   1.92591  11.4263     195.112     0           0           
1 1 1 1  3  61 f 17.6891 5.20154 1.77335      2.22185  2.84381      2.45954  10.1376     332.147     0           0           
1 1 1 1  3  62 o 14.2449 4.59006 0.803664     2.29143  -0.136606    2.1543   2.56265     109.032     5.16707     289.032     
1 1 1 1  3  63 f 17.2553 4.80693 -0.27304     2.27778  3.87838      2.04511  8.25813     199.12      0           0           
1 1 1 1  3  64 f 18.9263 5.18505 3.12269      2.13773  3.63039      2.17777  16.9693     204.11      0           0           
1 1 1 1  4  0  o 457.895 1.95828 1141.77      13.8068  1141.77      13.8068  472.524     90          88.8321     90          
1 1 1 1  4  1  o 316.893 1.92799 568.84       9.40831  525.316      9.39736  345.725     154.844     114.734     154.844     
1 1 1 1  4  2  o 192.051 1.87841 201.821      5.55541  199.89       5.55481  164.156     228.681     9.18715     48.6806     
1 1 1 1  4  3  o 470.94  2.13116 1188.93      15.449   1226.92      15.4585  586.076     208.077     304.833     208.077     
1 1 1 1  4  4  o 92.9333 2.08568 43.4461      2.97125  50.8657      2.97704  26.1897     339.96      81.1982     159.96      
1 1 1 1  4  5  o 396.011 1.93981 892.889      11.8322  816.08       11.8093  339.627     34.5295     51.1298     214.529     
1 1 1 1  4  6  o 288.48  1.81343 461.195      8.05684  445.289      8.05291  207.474     85.5024     112.01      265.502     
1 1 1 1  4  7  o 353.173 1.82586 690.479      9.93233  668.199      9.9256   367.41      169.042     89.2117     169.042     
1 1 1 1  4  8  o 493.774 1.86263 1345.45      14.167   1310.46      14.1565  510.904     130.624     109.93      130.624     
1 1 1 1  4  9  o 165.69  1.87433 150.228      4.93969  148.833      4.62087  137.894     211.221     4.16616     31.2207     
1 1 1 1  4  10 f 142.97  1.96446 114.799      4.63596  107.938      4.00726  167.997     57.7047     0           0           
1 1 1 1  4  11 o 364.157 1.91138 698.54       11.0454  746.49       10.3478  326.441     287.089     13.6367     107.089     
1 1 1 1  4  12 f 288.335 1.89503 446.033      8.13209  459.645      8.69363  264.374     202.626     0           0           
1 1 1 1  4  13 o 299.466 1.98901 499.971      8.48825  477.024      9.77674  205.066     30.5705     134.636     210.57      
1 1 1 1  4  14 o 76.8629 1.96121 31.0556      2.23959  33.3976      2.39616  0.951601    141.614     81.4355     321.614     
1 1 1 1  4  15 o 344.127 1.91785 652.842      9.81443  636.982      10.4908  297.494     73.5429     32.2814     253.543     
1 1 1 1  4  16 o 326.141 1.85042 608.35       9.29906  550.803      9.27152  310.624     167.22      29.4276     167.22      
1 1 1 1  4  17 f 235.808 1.84887 297.4        6.71009  308.238      6.71557  161.801     217.84      0           0           
1 1 1 1  4  18 o 349.197 2.14615 668.88       11.5428  659.262      11.5376  291.398     149.661     54.0289     329.661     
1 1 1 1  4  19 o 532.416 2.11233 1503.94      16.6284  1584.05      18.0075  502.462     208.183     27.5039     208.183     
1 1 1 1  4  20 o 249.335 2.0102  327.721      7.14862  349.574      8.27674  252.165     227.79      65.5263     227.79      
1 1 1 1  4  21 o 312.426 2.27472 543.8        10.4348  519.603      11.4047  323.167     123.288     88.8902     123.288     
1 1 1 1  4  22 o 216.443 2.01675 262.279      6.72876  248.107      6.7114   189.481     78.2208     7.65504     78.2207     
1 1 1 1  4  23 o 244.072 2.18929 328.902      8.88923  320.103      7.5283   212.747     170.548     2.45048     350.548     
1 1 1 1  4  24 o 169.376 2.29238 160.405      6.24441  152.232      5.71264  103.109     109.639     84.8943     289.639     
1 1 1 1  4  25 o 253.11  2.09697 349.236      8.48369  348.797      7.85076  235.323     4.41758     19.5062     4.41758     
1 1 1 1  4  26 o 46.5814 2.67252 11.2261      1.89807  12.6056      1.89758  24.5122     259.733     98.4325     259.733     
1 1 1 1  4  27 o 159.078 2.23007 132.488      5.45295  143.454      5.46678  142.833     116.066     9.18797     116.066     
1 1 1 1  4  28 o 11.7847 3.59206 -0.292268    1.25081  0.007389     1.12405  53.6438     251.808     111.373     251.808     
1 1 1 1  4  29 o 82.3149 2.07501 38.9562      2.6192   35.0533      2.62676  68.281      127.105     23.9476     127.105     
1 1 1 1  4  30 o 155.622 1.93119 128.855      4.62232  135.183      4.63175  141.464     320.983     10.5516     320.983     
1 1 1 1  4  31 o 32.2804 3.18867 5.98188      1.52656  5.62361      1.55456  15.0239     294.166     50.0963     294.166     
1 1 1 1  4  32 o 110.364 2.00723 66.5982      3.41128  66.306       3.40555  81.8246     318.741     24.309      138.741     
1 1 1 1  4  33 o 245.261 1.97316 333.865      7.6951   322.151      7.20811  231.122     326.063     23.1747     326.063     
1 1 1 1  4  34 o 36.5104 3.15385 8.18472      1.74592  6.64419      1.71254  3.2467      65.9527     50.5132     65.9526     
1 1 1 1  4  35 o 34.6713 3.39668 8.10154      1.73813  5.43406      1.73081  15.1226     149.297     76.2069     149.297     
1 1 1 1  4  36 o 66.1562 2.38396 23.0426      2.42489  24.8852      2.41302  53.848      176.183     10.6077     176.183     
1 1 1 1  4  37 o 231.927 1.94378 293.987      6.93997  292.918      6.94412  217.033     118.132     21.1342     118.132     
1 1 1 1  4  38 o 141.362 2.32357 113.339      5.07717  105.101      5.0349   126.2       6.76702     3.4159      6.76705     
1 1 1 1  4  39 o 51.3174 3.19529 14.0643      2.41143  15.0683      2.58782  25.452      78.2079     31.7234     258.208     
1 1 1 1  4  40 o 69.5117 2.38371 26.8894      2.52473  26.1368      2.56201  66.4628     151.166     20.2322     151.166     
1 1 1 1  4  41 o 97.4329 2.52097 51.8026      3.77257  52.473       3.77933  78.6899     244.174     11.0616     64.1738     
1 1 1 1  4  42 o 25.0475 4.3835  3.60805      1.63633  3.67912      1.72689  1.23699     228.281     26.2709     48.2815     
1 1 1 1  4  43 o 57.9797 2.77713 17.5224      2.56109  19.7699      2.34093  48.2588     62.2271     0.62129     242.228     
1 1 1 1  4  44 o 49.1374 3.01913 14.4644      2.26403  12.5556      2.25052  41.4703     190.448     0.674552    190.448     
1 1 1 1  4  45 o 31.496  4.01126 4.05238      1.89306  7.70077      1.76831  18.3545     143.017     13.0199     323.017     
1 1 1 1  4  46 o 50.7041 3.13917 11.3774      2.27556  17.9689      2.52207  48.8519     151.791     13.1054     151.791     
1 1 1 1  4  47 o 79.2236 2.49233 35.6876      3.02672  34.1595      3.03768  73.7169     177.856     10.9382     177.856     
1 1 1 1  4  48 o 29.2428 4.00272 4.02243      1.72025  6.18713      1.74412  23.3545     18.1524     2.10825     18.1524     
1 1 1 1  4  49 o 34.7573 3.54921 7.25182      1.84423  6.80973      1.84337  33.0389     12.8894     9.57283     12.8894     
1 1 1 1  4  50 o 42.7817 3.21174 11.3196      2.13392  9.80857      2.03038  45.4191     242.31      20.4323     242.31      
1 1 1 1  4  51 o 22.2528 4.51155 1.73206      1.72856  4.34501      1.7204   5.69409     349.281     22.8211     169.281     
1 1 1 1  4  52 o 11.7282 3.7954  -0.99018     1.55719  -0.600902    1.52836  0.334677    84.6181     3.78346     84.6181     
1 1 1 1  4  53 o 23.3422 4.68585 3.75865      1.76288  3.27091      1.76881  15.394      51.3313     2.40833     231.331     
1 1 1 1  4  54 o 29.3174 4.52121 3.9873       2.00628  7.33729      2.01215  16.155      145.462     14.7828     325.462     
1 1 1 1  4  55 o 28.0271 5.18958 6.0303       2.38011  5.00528      2.15595  28.2383     163.016     15.5043     163.016     
1 1 1 1  4  56 o 18.7682 4.74062 1.25239      1.793    3.18929      1.8145   11.6937     121.939     2.12638     301.939     
1 1 1 1  4  57 o 39.3972 4.53615 11.2408      2.63046  9.68773      2.66642  28.2353     18.4852     8.19844     198.485     
1 1 1 1  4  58 o 16.1594 4.68502 0.472511     1.87282  2.20038      1.94103  7.3626      222.439     8.38019     42.4393     
1 1 1 1  4  59 o 18.0644 5.05365 2.81713      2.00152  1.57407      2.27733  12.549      350.841     1.81631     350.841     
1 1 1 1  4  60 o 15.0967 4.54987 2.28725      1.99649  -0.723636    1.95832  3.87288     10.0096     1.02385     10.0096     
1 1 1 1  4  61 o 12.2702 4.08624 -0.650852    2.02648  -0.946943    1.95925  2.55204     57.7103     3.37838     237.71      
1 1 1 1  4  62 o 14.9821 4.75043 -1.05851     2.14781  2.30687      2.4882   1.82732     41.3217     1.97359     221.322     
1 1 1 1  4  63 o 14.672  4.63951 1.07266      2.28756  0.908883     2.00857  2.49293     67.6641     1.06979     247.664     
1 1 1 1  4  64 o 12.5786 4.19669 -0.813954    2.0061   0.12416      2.21967  3.59271     52.237      0.986732    232.237     
1 1 1 1  5  0  o 26.0962 1.95807 3.83182      0.764596 3.83182      0.764596 14.2164     89.9999     31.1136     89.9999     
1 1 1 1  5  1  o 140.685 1.78969 106.644      3.87652  108.931      3.87752  89.7973     133.53      55.5567     313.53      
1 1 1 1  5  2  o 174.503 1.91006 172.318      5.13157  159.481      5.12803  48.2723     256.738     214.433     76.7375     
1 1 1 1  5  3  o 423.256 2.22376 978.037      13.8176  973.462      15.1367  424.486     282.689     70.0642     282.689     
1 1 1 1  5  4  o 414.721 2.12065 949.605      13.5465  924.04       13.5377  391.567     112.18      19.8812     112.18      
1 1 1 1  5  5  o 328.848 1.94753 594.462      9.85904  583.523      9.86442  359.027     118.726     121.173     118.726     
1 1 1 1  5  6  f 531.067 1.99652 1529.92      16.3274  1542.41      16.3267  487.582     175.105     0           0           
1 1 1 1  5  7  o 212.264 1.80102 237.995      5.88189  252.917      5.88793  151.599     166.88      74.6288     346.88      
1 1 1 1  5  8  o 273.997 1.88332 410.1        7.67266  407.744      8.2091   153.069     206.185     192.61      26.1849     
1 1 1 1  5  9  f 154.231 1.81292 132.728      4.30719  126.432      4.30231  131.302     132.559     0           0           
1 1 1 1  5  10 o 216.879 1.81892 261.862      6.07602  250.577      6.07119  198.1       48.0603     15.6466     48.0602     
1 1 1 1  5  11 o 333.843 1.83776 599.119      9.44408  614.936      9.45     338.705     190.108     72.3274     190.108     
1 1 1 1  5  12 o 431.839 1.85676 1031.69      12.3519  999.647      12.3403  430.893     84.1179     71.0671     84.1178     
1 1 1 1  5  13 o 119.38  1.85271 72.9259      3.39775  82.4401      3.40483  81.7003     217.154     8.00342     217.154     
1 1 1 1  5  14 o 305.046 2.09242 511.899      10.9136  501.633      8.63368  211.216     216.21      132.059     36.2102     
1 1 1 1  5  15 f 121.115 1.92596 82.6084      3.71743  77.1953      3.46754  95.6194     21.299      0           0           
1 1 1 1  5  16 o 327.855 1.85251 573.242      9.34507  597.529      9.35729  235.344     130.042     126.531     310.042     
1 1 1 1  5  17 o 194.292 2.23859 198.239      6.38791  213.062      7.00881  196.443     129.793     59.3351     129.793     
1 1 1 1  5  18 o 387.709 2.25645 801.824      12.8496  835.656      14.0866  303.743     318.299     100.391     138.299     
1 1 1 1  5  19 o 197.644 1.86998 205.456      5.68471  220.12       5.69311  135.825     181.939     74.1531     1.93882     
1 1 1 1  5  20 o 263.242 2.16098 376.073      8.76473  378.74       8.75481  284.977     158.617     109.783     158.617     
1 1 1 1  5  21 o 218.743 2.17354 249.774      7.30531  271.67       7.32865  211.035     244.595     49.6656     244.595     
1 1 1 1  5  22 o 499.94  1.90299 1363.62      14.6538  1358.86      14.6467  475.266     181.877     41.8817     181.877     
1 1 1 1  5  23 o 214.116 2.0522  259.883      6.26252  239.766      7.19255  148.017     297.92      79.5093     117.92      
1 1 1 1  5  24 o 161.492 2.24011 146.869      5.08213  137.382      5.98743  154.572     163.307     43.0622     163.307     
1 1 1 1  5  25 o 283.888 2.09592 449.772      8.80749  428.534      9.48439  318.137     7.23651     128.953     7.23651     
1 1 1 1  5  26 o 87.8492 2.29693 37.5447      3.19254  46.9528      2.949    59.6567     282.084     3.83683     102.084     
1 1 1 1  5  27 o 232.312 2.29649 289.471      8.54636  298.924      7.85711  232.989     211.399     51.3974     211.399     
1 1 1 1  5  28 o 63.4761 2.55826 23.7966      2.49364  20.3593      2.4762   31.3342     343.074     4.29236     163.074     
1 1 1 1  5  29 o 50.9034 2.40456 15.5163      1.86503  12.9291      1.86988  8.39397     21.8944     9.80809     201.894     
1 1 1 1  5  30 o 125.216 1.96759 85.5925      3.79319  85.3404      3.79455  113.099     173.529     13.2896     173.529     
1 1 1 1  5  31 o 169.263 1.92784 159.07       5.03107  153.317      5.0176   164.6       56.2032     32.8193     56.2032     
1 1 1 1  5  32 o 312.15  1.90602 528.748      9.15592  533.649      9.16763  319.53      5.32491     78.7672     5.32491     
1 1 1 1  5  33 o 191.06  1.93264 195.486      5.67832  202.61       5.69262  188.476     17.4634     37.9452     17.4634     
1 1 1 1  5  34 o 170.747 1.96082 158.086      5.14778  159.875      5.16338  168.202     68.7121     34.917      68.7121     
1 1 1 1  5  35 o 197.39  2.01173 208.348      5.89205  216.719      6.33649  187.524     17.543      25.0367     17.543      
1 1 1 1  5  36 o 181.444 1.96637 177.774      5.49404  181.417      5.49376  134.463     352.068     52.717      172.068     
1 1 1 1  5  37 o 230.766 2.23132 286.015      7.93127  295.564      7.92518  226.143     241.931     42.1479     241.931     
1 1 1 1  5  38 f 95.5117 2.59515 49.5477      3.6178   50.4017      3.99514  85.1286     114.28      0           0           
1 1 1 1  5  39 o 68.7393 2.38873 25.1566      2.51767  26.6783      2.52226  29.9521     310.158     56.9339     130.158     
1 1 1 1  5  40 o 31.045  4.51242 8.13046      2.10704  3.257        2.10658  6.62217     173.673     15.7461     353.673     
1 1 1 1  5  41 o 106.14  2.27704 61.1681      3.71446  62.4105      3.72007  90.2325     299.92      3.67203     119.921     
1 1 1 1  5  42 o 62.0884 2.44712 22.7811      2.3346   19.7603      2.31798  56.3143     307.155     9.61284     307.155     
1 1 1 1  5  43 o 15.4515 4.23132 0.536312     1.45303  1.20706      1.44097  4.96886     144.183     21.6215     144.183     
1 1 1 1  5  44 o 71.8712 2.53577 31.8771      2.89599  25.496       2.69148  69.4067     41.0273     15.3135     41.0274     
1 1 1 1  5  45 o 22.5949 4.37988 1.88637      1.63115  4.09062      1.63359  7.11806     157.798     17.7006     337.798     
1 1 1 1  5  46 o 58.0831 2.66371 20.4996      2.47305  17.2318      2.26604  39.6218     47.8843     20.0272     227.884     
1 1 1 1  5  47 o 23.5185 5.04544 3.79665      2.00071  2.83034      1.99896  7.61121     109.204     19.7922     289.204     
1 1 1 1  5  48 o 22.0224 4.62974 3.1823       1.75278  2.64752      1.62105  10.2791     37.9721     11.7372     217.972     
1 1 1 1  5  49 o 61.7701 2.54263 19.9008      2.40428  22.9683      2.40127  57.1856     132.484     8.6924      132.484     
1 1 1 1  5  50 o 25.79   4.37669 4.98711      1.74341  3.25317      1.72426  19.4671     323.12      0.220652    323.12      
1 1 1 1  5  51 o 19.7592 4.42746 0.629523     1.64506  3.78672      1.707    10.2885     299.031     0.095429    299.031     
1 1 1 1  5  52 o 17.1381 4.52593 0.539872     1.66235  2.30178      1.67886  5.7047      76.6358     6.14466     256.636     
1 1 1 1  5  53 o 13.9931 4.28476 0.893567     1.80758  -0.698221    1.65389  1.19497     37.6246     2.06668     217.625     
1 1 1 1  5  54 o 22.1429 5.12239 3.75399      2.01844  2.87566      2.03236  10.7859     302.588     11.865      122.588     
1 1 1 1  5  55 o 35.0359 4.18415 7.89094      2.05359  7.87681      2.2913   39.3035     47.3262     23.2556     47.3262     
1 1 1 1  5  56 o 16.3429 4.90075 -0.0117291   2.1729   1.91016      2.20612  7.72729     95.0928     3.5121      275.093     
1 1 1 1  5  57 o 34.2097 4.83875 8.81859      2.26947  7.51485      2.62802  38.027      184.411     23.7616     184.411     
1 1 1 1  5  58 o 13.5968 4.32197 -0.323909    2.00494  0.392394     1.80534  6.44917     169.877     2.96419     349.877     
1 1 1 1  5  59 o 13.115  4.20476 -0.0738254   1.82751  0.0125521    1.84301  4.73524     152.466     3.00422     332.466     
1 1 1 1  5  60 o 15.6869 4.75658 1.19358      2.05825  1.40456      2.05556  7.7717      121.966     0.92463     121.966     
1 1 1 1  5  61 o 15.2689 4.69215 0.255583     2.21464  1.78709      2.00148  5.54568     37.6819     1.39394     217.682     
1 1 1 1  5  62 f 21.3288 5.63469 4.79006      2.3441   3.42153      2.85369  14.1588     99.6926     0           0           
1 1 1 1  5  63 o 16.9598 4.9429  1.06584      2.24178  3.36711      2.12864  6.51485     323.153     1.21749     323.154     
1 1 1 1  5  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  6  0  o 195.718 1.79337 208.692      5.40289  208.692      5.40289  190.716     90          17.3207     90          
1 1 1 1  6  1  o 136.084 1.79436 94.6165      3.75274  107.304      3.7567   100.221     278.183     16.3442     98.183      
1 1 1 1  6  2  o 171.584 1.79316 163.981      4.73818  156.755      4.73587  185.71      281.424     114.033     281.424     
1 1 1 1  6  3  o 135.128 1.92537 88.908       3.98418  110.595      3.99389  40.9298     235.782     147.897     55.7818     
1 1 1 1  6  4  o 333.959 2.02128 613.189      10.7988  601.862      9.98133  286.188     243.46      36.6982     63.4601     
1 1 1 1  6  5  o 192.807 1.9999  196.055      5.69976  209.042      6.17681  198.006     32.1728     69.8915     32.1728     
1 1 1 1  6  6  o 204.115 1.93284 226.311      6.07473  227.57       6.07563  179.588     238.477     2.97099     238.477     
1 1 1 1  6  7  o 232.048 1.87773 285.601      6.92315  301.085      6.47323  127.413     213.936     162.367     33.9363     
1 1 1 1  6  8  o 167.624 1.87654 154.509      4.68025  151.579      4.99865  145.046     219.969     10.8986     219.969     
1 1 1 1  6  9  o 159.802 1.81726 149.629      4.46794  128.92       4.45795  141.819     65.2668     25.1096     65.2668     
1 1 1 1  6  10 o 405.228 1.84651 913.788      11.5277  875.031      11.5132  390.466     142.563     40.8527     142.563     
1 1 1 1  6  11 o 333.243 1.83046 612.589      9.39582  596.988      9.38942  311.129     31.524      18.3615     31.524      
1 1 1 1  6  12 o 181.532 1.83281 181.675      5.12426  177.244      5.122    190.606     314.751     85.5144     314.751     
1 1 1 1  6  13 o 261.761 1.83741 373.535      7.40782  372.701      7.40475  320.611     51.8596     185.81      51.8596     
1 1 1 1  6  14 o 296.143 1.84327 484.016      8.40808  471.161      8.40251  300.236     340.346     68.5957     340.346     
1 1 1 1  6  15 o 522.395 1.89032 1475.39      15.2018  1496.75      15.2102  520.138     323.792     82.4625     323.792     
1 1 1 1  6  16 o 140.07  2.1567  104.673      4.648    109.042      4.65436  123.929     64.3102     28.3852     64.3102     
1 1 1 1  6  17 o 407.773 2.15474 909.089      13.5321  902.013      13.5281  444.245     284.068     147.888     284.068     
1 1 1 1  6  18 o 169.135 2.04131 153.209      5.67445  158.39       4.91807  119.636     307.597     48.2967     127.597     
1 1 1 1  6  19 o 123.176 2.34671 85.66        4.65359  79.7856      4.2415   79.8379     219.857     12.2856     39.8571     
1 1 1 1  6  20 o 477.543 2.19071 1253.19      16.1141  1230.98      16.1044  545.468     31.4367     227.319     31.4367     
1 1 1 1  6  21 o 346.837 2.02171 650.793      10.0069  659.599      11.5438  379.53      54.8429     142.612     54.8429     
1 1 1 1  6  22 o 339.565 2.03102 643.447      9.83511  612.844      11.3128  325.257     301.024     42.0496     301.024     
1 1 1 1  6  23 o 268.876 1.8769  405.08       7.77445  382.643      7.76338  236.219     14.8695     6.34151     194.87      
1 1 1 1  6  24 o 212.227 2.01479 245.901      6.59098  244.844      6.57796  161.968     321.486     52.2526     141.486     
1 1 1 1  6  25 o 13.9339 3.85785 1.02035      1.25253  0.103877     1.19901  29.8879     175.196     62.2409     175.196     
1 1 1 1  6  26 o 197.511 2.02132 213.91       6.1476   211.248      6.14771  202.957     199.236     58.3902     199.236     
1 1 1 1  6  27 o 129.518 2.17887 93.659       4.17162  89.2968      4.49972  130.675     155.526     43.8945     155.526     
1 1 1 1  6  28 o 96.7867 2.64728 52.0224      3.51223  50.3337      4.30817  93.7587     118.74      56.9525     118.74      
1 1 1 1  6  29 o 163.673 2.15545 150.521      5.22106  141.655      5.62078  134.824     15.8233     18.1722     195.823     
1 1 1 1  6  30 o 89.5464 2.15625 42.0251      3.0547   45.5581      2.86887  66.9066     48.1814     8.18397     228.181     
1 1 1 1  6  31 o 134.85  2.1288  97.6423      4.7141   100.697      4.09476  135.665     209.687     40.8538     209.687     
1 1 1 1  6  32 o 61.4398 2.39386 21.686       2.32968  19.6567      2.18323  36.5558     208.558     14.9168     28.5582     
1 1 1 1  6  33 o 15.9362 4.11582 0.280454     1.36788  1.73511      1.37228  13.1704     353.291     30.4468     353.291     
1 1 1 1  6  34 o 111.875 2.0598  65.2683      3.53837  71.3796      3.55033  118.295     157.895     47.685      157.895     
1 1 1 1  6  35 o 78.7749 2.24364 35.3582      2.70689  32.5136      2.72093  56.5505     243.591     16.2471     63.5914     
1 1 1 1  6  36 o 88.7073 2.19649 44.1299      3.009    41.8939      2.98164  79.27       305.108     10.0763     305.108     
1 1 1 1  6  37 o 62.031  2.84163 24.1482      2.68992  18.3409      2.6709   58.3636     336.967     22.3672     336.967     
1 1 1 1  6  38 o 19.7208 4.52414 1.90773      1.58227  2.25607      1.56529  11.5784     94.9937     38.0084     94.9937     
1 1 1 1  6  39 o 38.0622 4.0314  6.7546       2.27167  9.72722      2.24144  18.011      211.645     9.85933     31.6447     
1 1 1 1  6  40 o 42.4725 3.62616 10.9312      2.31505  9.3122       2.31713  6.5427      185.213     54.4028     5.21326     
1 1 1 1  6  41 o 69.7771 2.34168 26.6547      2.51882  26.8749      2.49888  67.0906     176.907     18.2375     176.907     
1 1 1 1  6  42 o 41.5111 2.98742 9.12925      1.88558  10.113       1.87519  25.7737     7.80291     14.4163     187.803     
1 1 1 1  6  43 o 37.2018 3.22482 9.20612      1.79613  6.51031      1.77279  33.5655     345.369     11.4785     345.369     
1 1 1 1  6  44 o 102.689 2.25065 57.6687      3.54985  58.6588      3.5593   96.2216     265.612     13.9423     265.612     
1 1 1 1  6  45 o 60.7097 2.78621 20.9349      2.5898   20.2157      2.59082  57.6409     75.6855     12.36       75.6855     
1 1 1 1  6  46 o 14.4694 4.20641 -0.0414769   1.53554  0.915665     1.51917  0.144127    211.492     4.354       31.4919     
1 1 1 1  6  47 o 26.3759 4.73768 4.46562      1.84261  3.97828      2.02254  12.1426     123.844     16.3789     303.844     
1 1 1 1  6  48 o 65.9536 2.83442 22.7523      2.7174   26.3163      3.01534  51.6294     109.229     9.80646     289.229     
1 1 1 1  6  49 o 98.9449 2.22333 52.831       3.37773  56.2957      3.38637  96.6904     56.2424     23.0108     56.2424     
1 1 1 1  6  50 o 37.2245 3.56566 8.68134      1.93077  7.63927      2.03229  39.6804     234.149     21.0565     234.149     
1 1 1 1  6  51 o 14.2273 4.21217 1.15627      1.63026  -0.54246     1.5714   1.60942     130.46      8.18703     310.46      
1 1 1 1  6  52 o 22.3994 4.49238 1.60499      1.72179  4.67321      1.76489  14.9746     65.6084     3.91644     65.6084     
1 1 1 1  6  53 o 25.7769 4.88952 2.43461      2.06734  6.46766      2.17106  21.0358     83.1107     5.23848     83.1107     
1 1 1 1  6  54 o 15.2325 4.39673 2.24687      1.80917  -1.94751     1.95829  1.69891     66.1787     17.8325     246.179     
1 1 1 1  6  55 o 62.2971 3.24067 28.1315      3.36667  18.9941      2.80093  64.6489     140.238     24.9182     140.238     
1 1 1 1  6  56 o 18.1795 5.2274  0.894384     2.58479  2.60996      2.17688  8.97233     210.814     2.16504     210.814     
1 1 1 1  6  57 o 16.3145 4.61078 0.303302     1.8047   2.4277       1.8523   7.53904     168.834     7.22859     348.834     
1 1 1 1  6  58 o 52.3855 3.28366 16.8533      2.72354  17.3594      2.50549  60.4511     105.884     34.6817     105.884     
1 1 1 1  6  59 o 12.9532 4.17379 0.453474     1.86345  -0.825497    1.84549  1.23596     165.575     14.6239     345.575     
1 1 1 1  6  60 o 17.8821 5.1055  2.25896      2.05737  2.55418      2.28375  9.77517     355.63      5.1531      175.63      
1 1 1 1  6  61 f 17.4876 4.93832 1.39926      2.06985  3.02349      2.04361  6.017       205.391     0           0           
1 1 1 1  6  62 o 12.9141 4.24987 -0.270028    2.15723  -0.309192    1.94283  0.91769     18.1496     6.33403     198.15      
1 1 1 1  6  63 o 27.7594 5.60045 9.05508      2.54256  5.76432      2.81999  20.2309     10.6175     1.79724     190.617     
1 1 1 1  6  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  7  0  o 276.102 1.80525 415.229      7.67384  415.229      7.67384  245.307     270         21.8243     90          
1 1 1 1  7  1  o 52.7534 1.86124 18.4739      1.48661  12.2394      1.4798   41.2164     306.939     128.251     306.939     
1 1 1 1  7  2  o 71.7602 1.81006 26.6873      1.99368  29.5151      1.9965   2.78631     151.696     70.6282     151.696     
1 1 1 1  7  3  o 59.7773 1.82059 19.7336      1.67188  19.2654      1.67181  29.0646     28.9021     113.766     28.9021     
1 1 1 1  7  4  o 228.3   1.99906 296.06       7.30976  272.009      6.74898  172.296     60.0902     61.1701     240.09      
1 1 1 1  7  5  f 402.001 1.95663 887.006      12.1127  873.492      12.1113  348.798     131.459     0           0           
1 1 1 1  7  6  f 269.369 1.95812 378.204      8.12251  412.589      8.10997  106.825     176.532     0           0           
1 1 1 1  7  7  o 35.989  2.29296 5.78224      1.19986  8.5831       1.29006  67.5018     64.3085     157.758     64.3085     
1 1 1 1  7  8  o 303.216 1.82067 517.356      8.50302  484.322      8.49253  375.63      290.743     216.519     290.743     
1 1 1 1  7  9  o 466.088 1.85366 1182.73      13.3037  1183.34      13.3047  423.104     215.189     7.22009     35.1893     
1 1 1 1  7  10 o 257.204 1.82391 379.669      7.22382  341.334      7.20933  138.737     34.0059     186.073     214.006     
1 1 1 1  7  11 o 323.766 1.8382  576.842      9.16604  564.827      9.16243  358.05      261.403     134.905     261.403     
1 1 1 1  7  12 o 65.7726 1.96245 21.6917      1.97465  25.5883      1.98181  17.8676     61.722      106.332     61.722      
1 1 1 1  7  13 f 389.029 1.91905 831.932      11.102   816.389      11.8697  413.236     104.24      0           0           
1 1 1 1  7  14 o 112.79  1.87634 65.9905      3.25202  72.6385      3.26055  58.0373     270.916     59.0941     90.9156     
1 1 1 1  7  15 o 254.416 2.12963 347.411      8.3393   357.624      8.34614  283.072     139.726     117.733     139.726     
1 1 1 1  7  16 o 487.042 2.17419 1277.3       16.2995  1306.48      16.3116  469.307     154.51      50.2317     154.51      
1 1 1 1  7  17 o 331.91  1.86345 596.721      9.52519  603.119      9.52291  332.519     194.408     69.6591     194.408     
1 1 1 1  7  18 o 625.035 2.22721 2130.36      21.4404  2125.12      21.4327  659.009     318.422     178.144     318.422     
1 1 1 1  7  19 o 578.007 2.21193 1811.76      19.6849  1827.58      19.6902  572.122     251.014     92.7928     251.014     
1 1 1 1  7  20 o 114.349 1.96215 69.2158      3.45323  73.2433      3.45485  31.2746     111.728     5.37096     111.728     
1 1 1 1  7  21 o 169.462 1.96368 154.986      4.95301  157.855      5.29273  47.6324     278.882     198.08      98.8823     
1 1 1 1  7  22 o 190.676 1.95854 193.777      5.92824  202.356      5.55702  203.851     289.881     89.7573     289.881     
1 1 1 1  7  23 o 184.129 2.03644 190.891      6.19344  178.614      5.34695  196.764     19.4491     80.4996     19.4491     
1 1 1 1  7  24 o 32.1449 3.43393 3.96474      1.58333  7.88995      1.57504  23.2891     309.749     61.3481     309.749     
1 1 1 1  7  25 o 240.043 2.09224 320.441      7.43938  307.622      8.00379  204.02      35.8685     20.9382     215.869     
1 1 1 1  7  26 o 144.129 2.43266 115.289      5.39939  111.246      5.39759  62.7238     30.3182     128.309     210.318     
1 1 1 1  7  27 o 118.231 2.26258 77.3462      4.11694  75.1891      4.11349  76.2973     355.711     50.7742     175.711     
1 1 1 1  7  28 o 229.761 2.03623 289.456      7.20605  286.069      7.20244  216.399     5.62735     23.5169     5.62735     
1 1 1 1  7  29 o 220.454 2.13295 261.979      6.94432  268.014      7.53137  153.42      210.557     86.3253     30.5566     
1 1 1 1  7  30 o 169.333 2.07324 162.22       5.40839  150.58       5.39848  141.298     68.991      14.9537     248.991     
1 1 1 1  7  31 o 66.8084 2.35185 23.9836      2.3132   24.8412      2.50947  48.0469     48.4702     9.61452     48.4702     
1 1 1 1  7  32 o 27.9416 4.16226 5.05377      1.69015  3.84253      1.77919  17.0855     232.474     60.5818     232.474     
1 1 1 1  7  33 o 125.166 2.09508 86.7054      3.90169  84.2032      4.16564  100.243     51.0893     17.1241     231.089     
1 1 1 1  7  34 o 46.6376 2.89001 11.1358      2.10532  12.85        1.98253  15.5958     1.573       30.9974     181.573     
1 1 1 1  7  35 o 191.837 2.11219 203.056      6.6741   198.599      5.7822   187.485     353.129     36.6788     353.129     
1 1 1 1  7  36 o 126.27  2.36284 89.7816      4.60299  84.5679      4.57531  108.67      297.764     2.72421     117.764     
1 1 1 1  7  37 o 134.902 2.03843 98.1776      4.23696  100.574      4.23153  152.047     136.848     69.598      136.848     
1 1 1 1  7  38 o 119.161 2.33425 76.2509      4.43297  79.2196      4.11156  126.25      96.7381     46.8727     96.7381     
1 1 1 1  7  39 f 49.9589 3.30086 14.6406      2.51934  13.0984      2.49511  28.6823     355.692     0           0           
1 1 1 1  7  40 o 55.2781 2.60109 19.6345      2.18644  14.2753      2.1731   23.9138     131.773     43.8997     311.773     
1 1 1 1  7  41 f 117.061 2.06539 74.0789      3.7187   76.1565      3.72399  66.6566     243.305     0           0           
1 1 1 1  7  42 o 41.0457 3.10604 7.6225       1.8672   11.4443      1.93913  38.2248     276.213     23.7747     276.213     
1 1 1 1  7  43 o 11.6297 3.67931 -0.301514    1.36123  -0.782739    1.35308  1.14719     11.8304     4.0061      11.8304     
1 1 1 1  7  44 o 64.7666 2.43508 20.7109      2.40287  25.9219      2.4135   54.1788     116.956     2.29181     296.956     
1 1 1 1  7  45 o 85.5759 2.453   39.1605      3.10074  42.1451      3.35188  81.0101     184.456     14.715      184.456     
1 1 1 1  7  46 o 30.4117 4.10153 4.73546      1.86981  6.2247       1.82035  10.5618     142.884     27.9267     322.884     
1 1 1 1  7  47 o 86.9642 2.42212 40.8476      3.23962  43.3786      3.23227  81.3866     242.249     13.2749     242.249     
1 1 1 1  7  48 o 36.9475 3.97234 7.66842      2.0488   8.45384      2.32926  35.9209     140.912     11.5431     140.912     
1 1 1 1  7  49 o 20.3829 4.84749 1.96521      1.8144   2.92918      1.81804  12.0086     96.8543     2.93701     96.8543     
1 1 1 1  7  50 o 31.7592 4.00792 5.73388      1.83804  6.48653      1.93863  26.886      232.992     4.25996     232.992     
1 1 1 1  7  51 o 11.2436 3.71169 -1.15972     1.49036  -1.25943     1.67331  0.570229    204.445     3.87153     204.445     
1 1 1 1  7  52 o 26.0944 4.48971 2.08425      1.96396  6.71653      1.9211   20.4428     243.484     3.06757     243.484     
1 1 1 1  7  53 o 28.4133 5.0901  4.3654       2.39395  6.6074       2.16305  27.1241     64.4906     14.8643     64.4906     
1 1 1 1  7  54 o 42.955  3.35368 11.4663      2.17449  10.8664      2.18605  38.4984     278.556     6.01477     278.556     
1 1 1 1  7  55 f 21.8087 5.39918 3.18876      2.22951  3.63124      2.25013  12.5927     175.669     0           0           
1 1 1 1  7  56 o 19.0692 5.03199 2.95452      2.11258  2.01619      1.86003  9.6306      289.836     7.51134     109.835     
1 1 1 1  7  57 o 29.6325 4.82364 4.97466      2.07638  7.73953      2.27443  28.5869     16.8465     10.8503     16.8465     
1 1 1 1  7  58 o 28.8049 4.79316 3.74358      2.08098  8.79214      2.2996   26.4619     283.004     8.13493     283.004     
1 1 1 1  7  59 o 17.8625 4.89107 1.56432      1.97838  2.94627      1.93745  11.258      188.359     0.881425    8.35946     
1 1 1 1  7  60 o 17.1678 4.85429 2.76408      1.97492  1.3504       1.98455  8.54629     229.325     6.2128      49.3254     
1 1 1 1  7  61 o 16.0973 4.8585  1.89628      2.13002  1.22247      2.13921  4.73333     269.923     4.4184      89.9226     
1 1 1 1  7  62 o 16.326  4.85252 2.56092      2.0904   1.14037      2.11456  6.04868     308.42      2.13379     128.42      
1 1 1 1  7  63 o 15.0412 4.79166 -0.178931    2.21708  2.61597      2.51328  6.25804     178.074     0.889183    178.074     
1 1 1 1  8  0  o 115.726 1.92934 73.0488      3.43388  73.0488      3.43388  60.8501     270         81.8818     90          
1 1 1 1  8  1  o 147.759 1.79988 128.576      4.09004  109.607      4.08171  109.768     316.834     18.7657     136.834     
1 1 1 1  8  2  o 248.082 1.80574 340.767      6.89887  329.632      6.89629  217.028     60.9485     5.68701     240.949     
1 1 1 1  8  3  o 246.428 1.80832 312.379      6.84914  349.581      6.85931  232.802     71.287      31.0984     71.287      
1 1 1 1  8  4  o 132.238 1.80439 89.5686      3.66633  101.068      3.67261  102.862     203.921     30.1133     203.921     
1 1 1 1  8  5  o 303.911 1.96082 512.566      9.83652  493.538      8.48987  297.383     306.427     49.948      306.427     
1 1 1 1  8  6  o 552.922 2.08524 1649.36      17.0431  1680.73      18.4502  523.92      80.3286     34.5154     80.3287     
1 1 1 1  8  7  o 221.534 1.94696 256.821      6.63311  277.917      6.64318  189.991     69.858      8.61488     249.858     
1 1 1 1  8  8  o 266.363 1.8222  384.188      7.47296  388.523      7.47508  118.938     177.157     242.996     357.157     
1 1 1 1  8  9  f 534.01  1.92985 1603.71      16.4103  1502.89      15.3329  503.461     328.629     0           0           
1 1 1 1  8  10 o 230.756 1.82792 290.714      6.49297  289.204      6.49758  270.384     351.149     146.257     351.149     
1 1 1 1  8  11 o 173.472 1.8348  152.126      4.88534  176.041      4.89856  126.498     100.765     44.9647     280.765     
1 1 1 1  8  12 o 445.18  1.86315 1073.5       12.7702  1084.94      12.7744  392.099     164.925     27.4028     344.925     
1 1 1 1  8  13 o 329.722 1.84699 611.305      9.38275  573.035      9.36607  237.825     287.849     121.77      107.849     
1 1 1 1  8  14 o 151.937 2.06866 125.918      4.65917  125.514      5.01368  137.493     165.884     31.939      165.884     
1 1 1 1  8  15 o 395.698 2.15309 852.222      13.1197  853.229      13.1193  411.2       237.954     108.165     237.954     
1 1 1 1  8  16 o 105.123 1.9534  62.6553      3.1639   57.8393      3.15155  0.726462    69.7858     163.593     249.786     
1 1 1 1  8  17 o 337.166 2.15132 626.451      11.1732  611.877      11.1649  372.006     279.414     145.985     279.414     
1 1 1 1  8  18 o 168.727 2.19493 151.161      5.69771  159.009      5.70554  122.065     36.4244     31.1056     216.424     
1 1 1 1  8  19 o 85.6486 2.03894 40.6494      2.68794  39.3558      2.68223  11.5113     82.0732     39.358      262.073     
1 1 1 1  8  20 o 304.019 1.87122 486.828      8.74809  520.282      8.76563  303.61      351.561     68.4096     351.561     
1 1 1 1  8  21 o 400.386 1.88519 874.621      11.6253  871.787      11.621   390.134     333.823     59.1084     333.823     
1 1 1 1  8  22 o 356.744 1.88143 717.802      10.3457  669.17       10.3169  357.477     260.904     73.451      260.904     
1 1 1 1  8  23 o 186.784 2.02489 195.895      5.80845  184.366      5.8349   183.18      298.23      41.5587     298.23      
1 1 1 1  8  24 o 116.288 1.95504 77.2923      3.50395  70.1601      3.49224  56.2046     274.907     85.5006     94.9073     
1 1 1 1  8  25 o 214.97  2.01793 252.329      6.68107  251.359      6.67885  151.923     320.975     79.5706     140.975     
1 1 1 1  8  26 o 294.735 2.09209 480.226      9.86238  466.815      9.12249  261.987     190.844     5.09563     10.8439     
1 1 1 1  8  27 o 125.442 2.28738 86.2288      4.77191  85.4429      4.03185  116.898     267.533     22.1407     267.533     
1 1 1 1  8  28 o 114.124 2.29443 70.7811      4.03754  71.3919      4.01848  55.56       62.5509     84.815      242.551     
1 1 1 1  8  29 o 109.539 2.486   61.1561      3.58011  70.0641      4.77608  92.3403     219.46      2.59866     219.46      
1 1 1 1  8  30 o 191.918 2.2609  203.351      6.10109  198.482      7.20235  180.603     3.29586     22.7663     3.29587     
1 1 1 1  8  31 o 74.0312 2.36258 29.3658      2.68673  30.5697      2.68518  45.4295     267.558     29.2532     87.5581     
1 1 1 1  8  32 o 114.512 2.03293 72.4231      3.57532  70.6563      3.59067  102.631     109.682     9.03442     109.682     
1 1 1 1  8  33 o 129.491 2.0124  94.3054      4.01495  88.6495      4.0079   90.4781     148.067     44.6562     328.067     
1 1 1 1  8  34 o 238.883 2.06884 307.908      7.5914   314.814      7.62882  201.39      111.367     20.5822     291.367     
1 1 1 1  8  35 o 168.56  2.39541 159.077      5.9145   151.346      6.48989  135.111     88.6995     26.419      268.7       
1 1 1 1  8  36 o 39.3758 3.80192 8.63847      2.13477  8.71398      2.35003  20.6376     112.129     6.91216     292.129     
1 1 1 1  8  37 o 66.5856 2.52941 27.3451      2.47934  21.4937      2.63658  51.4435     35.611      6.60673     215.611     
1 1 1 1  8  38 o 181.239 2.30472 178.2        6.42381  181.334      6.44035  192.531     179.835     67.8613     179.835     
1 1 1 1  8  39 f 120.18  2.22679 79.0272      4.40218  79.2189      3.81251  85.863      237.353     0           0           
1 1 1 1  8  40 o 66.8652 2.43401 24.9837      2.58051  24.2354      2.41423  51.0083     345.665     10.1104     165.665     
1 1 1 1  8  41 o 30.7789 3.67777 6.47461      1.68906  4.43723      1.64654  17.0424     227.435     2.56322     227.434     
1 1 1 1  8  42 o 15.8861 4.15318 1.84196      1.40917  0.121998     1.43261  0.138032    327.374     6.26472     327.374     
1 1 1 1  8  43 o 50.8038 2.66522 14.6747      2.07605  14.0646      2.06384  40.1179     200.648     5.01933     20.648      
1 1 1 1  8  44 o 32.3345 3.60895 6.50462      1.72729  5.55895      1.73835  17.7722     10.7742     15.9592     190.774     
1 1 1 1  8  45 o 75.8503 2.36045 30.3575      2.67867  33.5509      2.82201  76.3921     77.6289     23.3774     77.6289     
1 1 1 1  8  46 o 74.2021 2.55739 28.3173      2.96804  33.2109      2.82973  71.1566     226.46      15.7519     226.46      
1 1 1 1  8  47 o 37.0462 3.52132 7.82936      1.94735  8.06707      1.96851  31.6744     177.75      2.77335     177.75      
1 1 1 1  8  48 o 32.6354 4.35107 4.59083      1.95699  8.5836       2.25189  24.6033     48.9783     3.69663     228.978     
1 1 1 1  8  49 o 30.7396 4.73849 6.24233      2.11929  5.57526      2.24105  24.0756     10.1937     0.193375    10.1936     
1 1 1 1  8  50 o 22.8994 4.95342 3.46938      2.10162  3.17866      1.72321  6.43236     148.232     21.9867     328.232     
1 1 1 1  8  51 o 14.5256 4.29402 -0.820577    1.81379  1.27538      1.59336  2.01924     312.636     6.50689     132.636     
1 1 1 1  8  52 o 19.3801 4.9775  1.82621      1.92939  2.70053      1.93719  9.17775     242.23      7.2522      62.2299     
1 1 1 1  8  53 o 22.9536 5.06556 3.92388      2.15195  3.31202      1.81921  15.7892     39.4662     2.01242     219.466     
1 1 1 1  8  54 o 15.1568 4.65446 -0.868698    2.13938  1.4097       2.05051  7.04313     257.98      1.32515     77.9803     
1 1 1 1  8  55 o 30.6695 4.74785 7.4316       2.0206   5.49378      2.35615  25.5308     28.809      3.01673     28.809      
1 1 1 1  8  56 o 23.4068 4.94224 2.68974      2.05321  5.25198      1.98294  18.3262     131.887     2.12428     131.887     
1 1 1 1  8  57 o 20.267  4.83603 1.42164      1.93313  4.41968      1.94471  14.1004     88.5538     1.83341     268.554     
1 1 1 1  8  58 o 13.1043 4.13405 -1.85007     1.78794  1.33612      1.82077  4.28043     175.934     6.0471      355.934     
1 1 1 1  8  59 o 16.9694 4.74368 3.0713       1.94082  0.623276     1.93318  6.79114     320.191     10.4623     140.191     
1 1 1 1  8  60 o 17.0102 4.81966 1.03105      1.99103  2.92852      1.97674  8.18924     135.875     3.11546     315.875     
1 1 1 1  8  61 o 35.5948 4.64977 8.15125      2.4492   10.684       2.4362   37.0447     151.148     23.2864     151.148     
1 1 1 1  8  62 o 14.6358 4.58761 1.63115      2.05681  0.575731     2.08382  2.0401      172.661     0.298906    352.661     
1 1 1 1  8  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  9  0  o 317.638 1.81718 549.469      8.88705  549.469      8.88705  290.439     90          4.39661     270         
1 1 1 1  9  1  o 386.455 1.82847 812.241      10.8788  814.317      10.8836  438.743     129.941     180.823     129.941     
1 1 1 1  9  2  o 290.792 1.81369 449.12       8.11663  471.966      8.12274  251.385     355.222     18.271      175.222     
1 1 1 1  9  3  o 402.958 1.83441 889.504      11.3851  878.935      11.3799  414.782     242.63      99.7049     242.63      
1 1 1 1  9  4  o 456.327 1.84774 1110.3       12.9774  1157.82      12.9863  451.3       9.62543     72.3846     9.62544     
1 1 1 1  9  5  o 593.999 1.94948 1971.99      18.4469  1871.45      17.2184  582.351     201.34      78.5796     201.34      
1 1 1 1  9  6  o 290.611 1.81591 465.496      8.12734  454.315      8.12455  296.493     328.441     75.2543     328.441     
1 1 1 1  9  7  o 544.701 1.93017 1625.63      15.6429  1605.77      16.7122  533.027     157.763     71.8407     157.763     
1 1 1 1  9  8  o 144.164 1.94136 110.156      4.30497  116.236      4.3124   117.133     324.09      3.42527     324.09      
1 1 1 1  9  9  o 286.893 1.83098 455.217      8.0901   441.233      8.08639  248.3       171.441     17.3815     351.441     
1 1 1 1  9  10 o 241.94  1.82561 320.438      6.80198  317.063      6.80092  160.748     253.564     110.186     73.5639     
1 1 1 1  9  11 o 271.224 1.83119 402.756      7.64697  398.413      7.64891  262.984     257.349     43.4419     257.349     
1 1 1 1  9  12 o 328.633 1.84573 572.648      9.33012  603.789      9.34634  226.479     76.6581     140.118     256.658     
1 1 1 1  9  13 o 177.412 1.98807 167.652      5.42751  175.202      5.43324  69.3863     41.4829     169.901     221.483     
1 1 1 1  9  14 o 472.835 2.16621 1224.05      15.7763  1211.21      15.7684  450.664     219.795     45.434      219.795     
1 1 1 1  9  15 o 450.348 1.94488 1090.37      13.9079  1118.74      13.0403  477.653     298.904     144.463     298.904     
1 1 1 1  9  16 o 249.077 2.0741  337.911      8.25591  337.863      7.64276  192.453     58.0989     50.559      238.099     
1 1 1 1  9  17 o 382.824 2.15949 826.544      12.7446  770.437      12.7056  316.434     153.775     53.2531     333.775     
1 1 1 1  9  18 o 81.2073 2.04956 36.1115      2.55982  35.8202      2.5579   8.20383     104.317     55.8319     284.317     
1 1 1 1  9  19 o 332.69  1.8706  607.381      9.58615  598.356      9.57987  259.55      113.258     76.5614     293.258     
1 1 1 1  9  20 f 207.578 1.87703 235.699      5.99911  233.723      6.00058  144.877     148.187     0           0           
1 1 1 1  9  21 o 209.322 1.87981 248.442      6.06435  229.131      6.04738  136.428     240.785     97.8724     60.7853     
1 1 1 1  9  22 o 101.195 1.96819 58.1695      3.06352  53.5496      3.06079  55.4497     88.3767     52.6549     268.377     
1 1 1 1  9  23 o 223.052 1.88327 274.523      6.47126  267.659      6.46516  183.43      99.8874     29.1971     279.887     
1 1 1 1  9  24 o 116.531 1.94899 72.2209      3.49736  75.8022      3.49579  115.687     304.317     42.8639     304.317     
1 1 1 1  9  25 o 44.9186 2.504   9.4104       1.69446  12.8698      1.70872  2.60387     68.4445     19.3574     248.445     
1 1 1 1  9  26 o 12.4968 3.62582 0.799295     1.17765  -0.599868    1.15912  55.3448     119.927     116         119.927     
1 1 1 1  9  27 o 310.523 2.21349 528.427      11.4456  523.189      9.6554   356.845     121.241     160.995     121.241     
1 1 1 1  9  28 o 115.818 2.28779 77.6649      4.41963  68.9063      3.7339   111.016     81.109      30.998      81.109      
1 1 1 1  9  29 o 82.9142 2.27219 38.9879      2.89868  36.1515      2.8897   69.6679     129.546     11.7861     129.546     
1 1 1 1  9  30 o 152.517 2.18212 130.618      4.90352  123.197      5.3221   140.543     167.039     14.9466     167.039     
1 1 1 1  9  31 o 79.3129 2.5628  38.6785      3.42377  30.3948      2.82909  48.9829     305.47      33.32       125.47      
1 1 1 1  9  32 o 38.8712 3.12284 8.6869       1.89986  8.05209      1.7731   3.20427     118.146     57.1971     118.146     
1 1 1 1  9  33 o 158.489 2.11139 136.026      5.16532  138.093      5.1402   140.565     37.8854     4.47301     37.8855     
1 1 1 1  9  34 o 98.0439 2.56262 54.6596      3.67459  50.5681      4.02342  80.0464     254.681     6.51978     74.6814     
1 1 1 1  9  35 o 66.6133 2.90171 24.8472      2.80916  23.9217      3.10041  35.4961     47.0762     40.2393     227.076     
1 1 1 1  9  36 o 188.545 1.96775 193.151      5.70496  195.1        5.72126  198.052     354.981     65.4653     354.981     
1 1 1 1  9  37 o 143.453 2.35404 114.982      5.19839  110.28       5.2001   151.98      24.0444     55.2988     24.0444     
1 1 1 1  9  38 o 81.7786 2.24298 36.0957      2.8094   37.2506      2.82879  53.3846     335.74      32.2285     155.74      
1 1 1 1  9  39 o 25.5224 4.29688 4.22427      1.57328  3.30962      1.77121  6.5519      97.0063     46.9535     97.0063     
1 1 1 1  9  40 o 72.3311 2.53731 32.0177      2.5728   25.8401      2.97506  58.3252     125.153     5.85923     305.153     
1 1 1 1  9  41 o 15.7968 4.33265 0.5263       1.48851  1.30496      1.54916  1.40678     48.853      10.1796     48.853      
1 1 1 1  9  42 o 70.6785 2.41744 27.12        2.71269  28.1409      2.52581  67.2354     141.911     14.0237     141.911     
1 1 1 1  9  43 o 37.044  3.43566 9.07166      2.05592  6.66352      1.76705  25.6875     253.102     8.28222     73.1019     
1 1 1 1  9  44 f 40.3234 3.1387  9.62874      1.95789  8.81184      1.87535  51.6643     316.149     0           0           
1 1 1 1  9  45 o 22.1525 4.44474 2.16702      1.59025  3.67975      1.64238  7.76721     213.625     15.9012     33.6246     
1 1 1 1  9  46 o 32.2268 4.14518 7.13145      1.84225  5.24018      2.07385  25.2017     71.6457     0.612665    251.646     
1 1 1 1  9  47 o 21.8435 4.83035 2.46618      1.88619  3.26012      1.7565   14.7756     19.4487     1.99935     199.449     
1 1 1 1  9  48 o 27.7775 4.45667 6.54206      1.99988  3.1638       1.80201  19.0147     156.352     5.19881     336.352     
1 1 1 1  9  49 o 26.3467 4.96943 5.69556      1.97098  3.08413      2.32823  13.8424     231.876     12.8079     51.8761     
1 1 1 1  9  50 o 49.0707 3.21022 13.7585      2.40275  14.2152      2.39289  51.5313     215.062     23.0291     215.062     
1 1 1 1  9  51 o 34.0476 4.82987 7.9145       2.69815  7.0395       2.18706  31.1202     232.969     9.50706     232.969     
1 1 1 1  9  52 o 21.1247 4.91679 3.39533      1.77617  2.41508      1.99892  13.9921     126.108     0.339266    126.108     
1 1 1 1  9  53 o 15.9062 4.7984  0.163087     2.05746  1.3922       2.12614  7.50528     161.141     0.851935    341.141     
1 1 1 1  9  54 o 25.7358 5.27917 4.70321      2.33633  4.8581       2.10387  20.8066     289.628     2.99934     289.628     
1 1 1 1  9  55 o 23.0477 4.91557 4.45778      1.89426  3.15586      1.94379  14.9069     51.6665     4.35241     231.667     
1 1 1 1  9  56 o 31.1177 4.41498 4.16432      2.02499  9.53452      2.09231  22.5482     247.828     4.92152     67.8276     
1 1 1 1  9  57 o 13.9174 4.31879 -0.648354    1.82523  1.27827      1.83413  6.1771      65.4768     3.19177     245.477     
1 1 1 1  9  58 o 15.586  4.57927 2.35151      1.91138  -0.029015    1.88508  5.57483     251.249     1.54508     251.249     
1 1 1 1  9  59 o 20.3826 5.02849 1.97738      2.06168  4.60829      2.05375  15.6831     126.463     7.33465     126.463     
1 1 1 1  9  60 f 26.1798 5.12124 5.95543      2.14195  5.07719      2.14217  16.069      259.913     0           0           
1 1 1 1  9  61 o 13.4945 4.28806 -1.39679     1.95446  1.5607       1.95093  1.95018     265.316     4.79253     85.3163     
1 1 1 1  9  62 o 14.2591 4.54498 1.08189      2.17759  0.807389     2.03529  4.50722     256.775     0.204535    76.7754     
1 1 1 1  10 0  o 194.31  1.93944 205.703      5.80051  205.703      5.80051  151.365     90          53.7378     270         
1 1 1 1  10 1  f 253.643 1.87741 349.798      7.08245  350.866      7.57564  232.988     172.357     0           0           
1 1 1 1  10 2  o 513.872 1.86167 1429.48      14.7288  1446.44      14.7338  515.641     201.469     97.181      201.469     
1 1 1 1  10 3  o 201.473 1.81157 227.096      5.62064  215.058      5.61701  165.089     209.002     19.5948     29.0022     
1 1 1 1  10 4  o 604.894 1.8893  1985.62      17.5975  1999.36      17.5988  620.299     323.879     138.656     323.879     
1 1 1 1  10 5  o 478.014 1.854   1256.07      13.6527  1232.53      13.6407  407.853     10.7095     53.0885     190.709     
1 1 1 1  10 6  o 337.321 1.82356 608.736      9.46925  630.58       9.47312  236.116     265.126     136.754     85.126      
1 1 1 1  10 7  o 294.306 1.81788 459.773      8.23192  483.704      8.24153  215.128     47.6098     98.1002     227.61      
1 1 1 1  10 8  o 246.257 1.82023 341.105      6.90365  319.526      6.89601  229.229     54.8683     24.5211     54.8683     
1 1 1 1  10 9  o 727.653 1.94097 2867.23      21.7378  2899.56      21.7592  776.833     115.648     228.444     115.648     
1 1 1 1  10 10 o 592.755 1.89669 1899.44      17.3078  1927.37      17.3167  507.524     331.573     62.5469     151.573     
1 1 1 1  10 11 o 523.718 1.8799  1488.25      15.1582  1499.06      15.1632  475.087     195.335     1.30951     195.336     
1 1 1 1  10 12 o 97.4176 2.08094 52.3857      3.11955  51.0816      3.11628  0.132524    315.166     144.533     315.163     
1 1 1 1  10 13 o 211.328 2.13844 246.971      6.96011  239.516      6.9566   182.429     27.1161     5.66421     27.116      
1 1 1 1  10 14 o 186.18  1.99263 180.149      5.70044  197.617      5.71677  181.835     5.0819      71.6911     5.0819      
1 1 1 1  10 15 o 450.671 2.00634 1113.66      13.9262  1098.75      13.9207  429.224     262.941     49.9995     262.941     
1 1 1 1  10 16 o 94.0657 2.3115  47.2902      3.34051  49.2387      3.34481  13.1574     112.076     6.42324     292.076     
1 1 1 1  10 17 o 23.5486 3.6248  3.30285      1.2399   2.97966      1.31449  115.648     190.087     246.267     190.087     
1 1 1 1  10 18 o 236.81  1.87132 296.961      6.8173   314.084      6.8269   247.394     214.936     84.3023     214.936     
1 1 1 1  10 19 o 343.522 1.87117 636.588      9.89562  649.099      9.90013  351.363     227.674     89.0019     227.674     
1 1 1 1  10 20 o 219.482 1.87468 267.464      6.33715  257.45       6.33324  174.465     53.7631     38.7273     233.763     
1 1 1 1  10 21 o 157.558 1.90052 136.116      4.61344  134.394      4.60863  110.572     42.8249     52.0345     222.825     
1 1 1 1  10 22 o 254.192 1.87624 360.082      7.34907  344.138      7.33662  250.448     154.482     49.6897     154.482     
1 1 1 1  10 23 o 112.45  2.03307 67.6001      3.39496  70.335       3.63974  97.8539     0.868455    9.94287     0.868455    
1 1 1 1  10 24 o 117.212 1.94877 74.2694      3.51278  75.4862      3.5219   99.4804     347.906     2.64443     347.906     
1 1 1 1  10 25 o 33.9595 2.91252 6.31526      1.49026  6.45821      1.49355  3.55295     45.3389     13.9729     45.3389     
1 1 1 1  10 26 o 55.5972 2.52576 15.782       2.07064  18.1251      2.23157  17.4592     148.705     23.1486     328.705     
1 1 1 1  10 27 o 124.215 2.09456 85.7176      4.00552  82.5631      4.00624  86.1911     150.415     40.0849     330.415     
1 1 1 1  10 28 o 255.487 2.02652 341.272      7.95689  370.872      7.97922  215.134     286.646     23.0353     106.646     
1 1 1 1  10 29 o 64.7308 2.56183 20.0467      2.60754  26.0345      2.41471  48.3977     323.211     5.74767     323.21      
1 1 1 1  10 30 f 64.8472 2.50454 23.8723      2.48873  22.186       2.49147  47.9037     40.5818     0           0           
1 1 1 1  10 31 o 269.631 2.05401 402.536      8.53324  390.599      8.52205  236.65      357.44      3.99065     177.44      
1 1 1 1  10 32 o 42.9198 3.25852 8.76886      2.09343  11.7325      2.10627  13.2544     139.807     14.1232     319.807     
1 1 1 1  10 33 o 92.568  2.47315 46.2264      3.51964  47.5256      3.5178   93.036      225.691     33.4977     225.691     
1 1 1 1  10 34 o 221.263 2.23933 267.644      7.62194  267.173      7.63775  222.932     202.309     56.7985     202.309     
1 1 1 1  10 35 o 79.6985 2.34174 34.0339      2.95452  35.5456      2.77271  87.8629     33.3984     47.3401     33.3984     
1 1 1 1  10 36 o 80.9645 2.65874 34.7263      3.30556  37.2876      3.30256  77.9837     287.855     22.1763     287.855     
1 1 1 1  10 37 o 140.453 2.45908 110.459      5.08201  105.866      5.52865  149.882     251.35      57.3915     251.35      
1 1 1 1  10 38 o 51.1003 2.75806 11.9021      2.05542  17.2161      2.22081  45.2113     96.8654     14.4523     96.8654     
1 1 1 1  10 39 o 109.95  2.16884 65.9261      3.53168  66.7818      3.80181  109.635     262.81      30.2932     262.81      
1 1 1 1  10 40 o 40.5734 3.11724 8.06818      1.83992  10.4665      1.98087  31.3897     181.183     0.542791    1.18333     
1 1 1 1  10 41 o 52.4269 2.65532 13.1148      2.10912  17.596       2.11151  50.1654     26.4655     13.5429     26.4655     
1 1 1 1  10 42 o 39.7048 3.15125 8.47731      1.8493   9.335        1.9374   28.5477     71.5556     7.35452     251.556     
1 1 1 1  10 43 f 64.6851 2.70644 24.0768      2.43649  22.6177      2.89114  49.1069     86.252      0           0           
1 1 1 1  10 44 o 49.3045 2.95972 14.7931      2.18378  12.6462      2.24895  41.9384     321.9       2.08244     321.9       
1 1 1 1  10 45 o 28.5382 4.29437 4.63616      1.87968  5.11749      1.7784   19.9422     41.5143     3.62373     221.514     
1 1 1 1  10 46 o 80.9812 2.41639 36.1556      3.1019   37.0538      2.90448  65.287      179.729     7.77978     359.729     
1 1 1 1  10 47 o 21.4616 4.85052 2.15518      1.98398  3.325        1.72478  13.1731     359.411     5.4881      359.411     
1 1 1 1  10 48 o 13.4368 4.20608 0.0459783    1.85565  -0.484502    1.57537  0.441288    144.788     9.73785     324.788     
1 1 1 1  10 49 o 15.1806 4.46784 -0.170922    1.77919  1.21525      1.75176  2.70905     124.959     25.3822     124.959     
1 1 1 1  10 50 o 44.0093 4.40031 7.47437      2.29403  17.5601      3.49497  48.5208     112.99      27.6011     112.99      
1 1 1 1  10 51 o 35.3703 4.285   8.1221       2.40385  7.64175      2.09113  34.0587     24.1313     12.893      24.1313     
1 1 1 1  10 52 o 18.447  4.84042 2.25835      1.78518  1.8829       1.88733  7.5076      101.418     11.2049     281.418     
1 1 1 1  10 53 o 15.3842 4.64547 -0.845832    2.01971  1.78295      2.05522  6.83889     119.761     4.83885     299.761     
1 1 1 1  10 54 o 13.1776 4.10581 -1.4861      1.6869   1.07126      1.72554  1.81849     316.225     1.83979     136.225     
1 1 1 1  10 55 o 22.1114 5.00129 3.17978      1.9139   3.98228      1.95186  17.1113     63.6775     2.62725     63.6775     
1 1 1 1  10 56 o 23.2784 5.09324 3.70646      1.99977  4.56271      2.04061  21.2782     164.799     9.2886      164.799     
1 1 1 1  10 57 o 16.6554 4.80607 2.88175      2.1109   0.379844     1.92881  9.68561     227.438     1.27429     227.438     
1 1 1 1  10 58 o 36.0512 4.22651 9.6454       2.27075  8.48419      2.25068  28.5915     145.234     0.462193    325.234     
1 1 1 1  10 59 o 46.9426 3.67912 14.5177      2.7159   14.7746      2.49916  52.2089     54.6407     30.2761     54.6407     
1 1 1 1  10 60 o 13.1709 4.17235 -2.56318     1.91221  1.74207      1.9134   0.738871    193.086     4.8873      13.0862     
1 1 1 1  10 61 o 18.071  5.01503 2.10144      2.06452  3.57799      2.08233  9.98867     113.653     0.77066     293.653     
1 1 1 1  10 62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  11 0  o 94.7812 1.86219 49.0276      2.71317  49.0276      2.71317  35.3607     90.0001     0.87178     90.0001     
1 1 1 1  11 1  o 160.717 1.82052 145.356      4.50699  136.034      4.50058  48.3947     251.02      180.962     71.0195     
1 1 1 1  11 2  o 187.115 1.82807 195.931      5.26836  185.458      5.26349  191.351     180.063     72.3968     180.063     
1 1 1 1  11 3  o 115.298 1.84265 76.7935      3.27125  68.1194      3.26352  68.4584     175.447     33.3474     355.448     
1 1 1 1  11 4  o 693.847 1.92132 2595.12      20.521   2648.36      20.5342  628.309     359.366     3.91784     179.366     
1 1 1 1  11 5  o 374.225 1.83517 762.811      10.5773  762.43       10.5737  360.025     185.79      49.4572     185.79      
1 1 1 1  11 6  o 472.874 1.85494 1221.76      13.5108  1213.64      13.5034  519.223     112.392     187.697     112.392     
1 1 1 1  11 7  o 376.255 1.83292 768.688      10.6208  773.166      10.6187  273.998     210.983     127.967     30.9835     
1 1 1 1  11 8  o 598.415 1.88198 1938.68      17.3388  1961.6       17.3454  562.077     97.3243     41.5838     97.3243     
1 1 1 1  11 9  o 294.406 1.82691 468.527      8.28158  475.503      8.28277  260.701     227.699     2.21962     227.699     
1 1 1 1  11 10 o 410.679 1.85098 891.6        11.69    945.755      11.7143  398.408     346.42      62.8015     346.42      
1 1 1 1  11 11 o 148.612 2.26227 125.424      4.92807  115.271      5.38948  83.5087     321.787     69.9356     141.787     
1 1 1 1  11 12 o 91.6301 2.20812 48.3383      3.11399  43.3003      3.10171  13.9858     99.0551     32.9324     279.055     
1 1 1 1  11 13 o 514.577 2.0138  1430.6       15.9478  1453.84      15.9659  505.827     53.9933     87.7843     53.9933     
1 1 1 1  11 14 o 277.335 1.98213 413.303      8.45946  424.604      8.46945  231.224     108.323     24.6519     288.323     
1 1 1 1  11 15 o 324.935 2.14366 580.964      10.7272  569.393      10.7242  354.254     358.456     135.991     358.456     
1 1 1 1  11 16 o 306.156 2.07465 511.93       10.1696  509.305      9.37812  350.335     267.778     162.71      267.778     
1 1 1 1  11 17 o 411.058 1.87521 904.845      11.8593  936.151      11.8779  355.954     214.929     25.4875     34.9291     
1 1 1 1  11 18 o 258.345 1.92565 364.911      7.91039  362.302      7.4043   211.35      308.477     35.5581     128.477     
1 1 1 1  11 19 o 84.5496 2.00367 39.0677      2.60602  38.9213      2.60405  27.8314     168.72      76.3151     348.72      
1 1 1 1  11 20 o 99.5299 1.9672  52.5415      3.00596  55.5224      3.01672  87.6272     286.909     32.8434     286.909     
1 1 1 1  11 21 f 181.095 1.88245 178.002      5.25143  179.41       5.24752  169.689     161.95      0           0           
1 1 1 1  11 22 o 320.35  1.87897 563.205      9.2707   555.305      9.26702  301.261     327.494     31.1215     327.494     
1 1 1 1  11 23 o 149.995 1.9863  128.846      4.75938  116.566      4.41846  154.471     37.1154     53.6631     37.1154     
1 1 1 1  11 24 o 248.862 1.88151 339.105      7.21234  336.018      7.20825  234.147     74.783      28.4632     74.783      
1 1 1 1  11 25 o 250.582 1.88915 339.942      7.28927  344.604      7.28977  203.743     255.068     35.751      75.0685     
1 1 1 1  11 26 o 180.904 1.91552 180.441      5.33434  176.388      5.33736  192.56      244.407     71.7497     244.407     
1 1 1 1  11 27 o 74.2703 2.30308 29.9981      2.62392  30.3011      2.63124  34.9887     354.141     49.5419     174.141     
1 1 1 1  11 28 o 100.025 2.1671  55.0469      3.33465  54.202       3.33316  61.2299     16.2419     47.8787     196.242     
1 1 1 1  11 29 o 84.691  2.29098 38.1328      2.986    40.265       2.97657  48.69       189.647     44.0186     9.64747     
1 1 1 1  11 30 o 144.528 2.29947 108.444      5.09719  119.68       5.13031  129.657     84.8907     9.44344     84.8907     
1 1 1 1  11 31 o 74.1603 2.48832 29.8323      2.58535  30.3739      3.06475  50.222      184.213     18.8275     4.21258     
1 1 1 1  11 32 o 125.007 2.37212 84.9449      4.56563  85.8633      4.55852  99.8717     219.355     15.8648     39.3548     
1 1 1 1  11 33 o 177.875 2.38424 174.421      6.84562  171.379      6.20495  148.804     246.135     13.6319     66.1353     
1 1 1 1  11 34 o 66.6102 2.38703 23.3045      2.42741  25.3635      2.45103  54.3595     285.429     0.66039     285.429     
1 1 1 1  11 35 o 35.0211 4.20735 7.66642      2.10688  6.29011      2.24385  9.83765     70.7453     24.3421     250.745     
1 1 1 1  11 36 o 54.106  3.06943 15.9195      2.53445  16.4875      2.53679  32.6264     140.737     20.4625     320.737     
1 1 1 1  11 37 f 44.8821 2.87378 13.6686      1.93651  8.92413      1.91834  44.1058     220.783     0           0           
1 1 1 1  11 38 o 77.836  2.24231 35.2173      2.68864  31.4249      2.6696   66.0084     165.768     0.664185    165.768     
1 1 1 1  11 39 o 79.5358 2.37365 36.1994      2.91782  33.5493      2.88145  75.671      225.089     16.5354     225.088     
1 1 1 1  11 40 o 50.096  2.92171 13.951       2.21606  14.0661      2.25162  53.6002     85.1328     26.529      85.1328     
1 1 1 1  11 41 o 19.4394 4.40412 1.02822      1.66824  2.95861      1.50015  3.0108      257.735     17.9703     77.7355     
1 1 1 1  11 42 o 48.5806 2.94384 14.3372      2.20407  12.2155      2.15011  56.5482     110.218     37.4438     110.218     
1 1 1 1  11 43 o 34.4098 3.59937 6.1958       1.75733  7.51294      1.94239  28.0642     47.7838     2.80067     47.7837     
1 1 1 1  11 44 o 44.9933 3.02575 10.7014      1.97768  12.2557      2.16597  45.1928     318.08      17.5391     318.08      
1 1 1 1  11 45 o 57.4436 2.96237 18.1656      2.8434   19.1756      2.30891  51.2045     287.438     5.75405     287.438     
1 1 1 1  11 46 o 40.6238 3.20462 9.37294      1.96118  9.63406      1.97988  41.0679     182.384     16.1505     182.384     
1 1 1 1  11 47 o 21.9384 4.99328 3.00444      1.72299  2.92037      2.13022  10.7328     205.044     9.82424     25.0442     
1 1 1 1  11 48 o 60.571  2.96645 21.7371      2.70165  20.3515      2.7908   58.2786     69.8611     15.8082     69.8611     
1 1 1 1  11 49 o 46.1316 3.9923  12.4721      2.93336  13.1956      2.58368  38.2649     137.385     1.16395     137.385     
1 1 1 1  11 50 o 16.7415 5.02453 0.807704     2.41436  0.882772     2.09433  5.55789     225.231     3.58619     45.2309     
1 1 1 1  11 51 o 12.5019 4.13838 -0.979247    1.97832  -1.62438     2.01481  0.503113    220.786     1.1808      40.7862     
1 1 1 1  11 52 o 21.8758 5.65061 3.56454      2.7921   3.25201      2.18703  16.556      125.972     2.35797     125.972     
1 1 1 1  11 53 o 15.3487 4.47982 1.56983      1.73489  0.302356     1.76631  5.59447     224.565     0.774773    44.5649     
1 1 1 1  11 54 o 12.5716 4.04632 -0.436376    1.72799  -0.267831    1.71333  1.32153     314.958     1.3704      134.958     
1 1 1 1  11 55 o 43.8221 3.51242 10.3552      2.29078  14.0037      2.30379  42.5158     33.843      13.6469     33.843      
1 1 1 1  11 56 f 18.1774 4.86809 3.28215      1.98377  1.32388      1.87088  10.4877     110.73      0           0           
1 1 1 1  11 57 o 16.9052 4.78568 1.24121      1.93849  2.50174      1.90755  8.40563     252.026     2.96533     252.026     
1 1 1 1  11 58 o 13.0402 4.20721 -0.322211    1.8726   0.287559     1.88311  3.04784     294.391     1.89064     114.391     
1 1 1 1  11 59 o 16.5488 4.84707 1.64751      2.06765  2.02905      1.98249  3.48289     302.314     12.9954     122.314     
1 1 1 1  11 60 o 14.3955 4.49458 1.56322      1.99355  0.151789     1.95936  1.75673     72.278      1.28986     252.278     
1 1 1 1  11 61 o 23.4437 5.25144 3.91205      2.1818   6.28655      2.21611  18.2776     338.642     2.88144     338.642     
1 1 1 1  12 0  o 452.464 1.85412 1114.84      12.9175  1114.84      12.9175  421.631     270         21.365      270         
1 1 1 1  12 1  o 309.681 1.83017 498.315      8.7111   546.76       8.73092  281.159     256.699     16.3799     256.699     
1 1 1 1  12 2  o 225.999 1.82585 287.276      6.35417  269.158      6.34935  174.682     160.894     40.305      340.894     
1 1 1 1  12 3  o 232.03  1.82489 307.358      6.52041  279.351      6.50964  134.167     109.217     136.417     289.217     
1 1 1 1  12 4  o 730.418 1.93753 2867.84      21.7836  2943.33      21.799   698.136     13.5337     77.331      13.5337     
1 1 1 1  12 5  o 202.804 2.03146 214.856      6.0885   233.33       6.60252  106.655     254.673     135.408     74.6731     
1 1 1 1  12 6  o 170.847 1.84967 151.008      4.85878  167.113      4.8646   144.541     216.558     19.8085     216.558     
1 1 1 1  12 7  o 315.634 1.89038 542.41       9.4903   542.709      8.87527  285.949     2.98439     17.5693     2.98438     
1 1 1 1  12 8  o 269.189 1.81971 398.65       7.54526  390.633      7.54037  225.651     14.4741     15.7985     194.474     
1 1 1 1  12 9  o 112.787 1.87102 68.7497      3.24852  69.813       3.25052  17.0871     6.92663     134.866     186.927     
1 1 1 1  12 10 o 236.129 1.95096 312.798      7.09539  294.7        7.08801  213.63      127.526     23.7026     127.526     
1 1 1 1  12 11 o 285.079 2.10764 434.75       9.24544  450.698      9.25718  204.583     194.958     92.9301     14.9575     
1 1 1 1  12 12 o 126.133 2.01779 84.8341      3.91448  88.5073      3.9227   83.4838     285.591     21.8156     105.591     
1 1 1 1  12 13 o 125.879 2.03681 94.9545      3.94487  78.1401      3.92196  101.85      117.992     27.7602     117.992     
1 1 1 1  12 14 o 164.546 2.16394 138.208      5.46624  157.114      5.48407  92.9331     187.101     95.9048     7.10093     
1 1 1 1  12 15 o 231.107 1.9814  291.44       7.05042  290.507      7.05236  221.596     0.677487    39.3524     0.677487    
1 1 1 1  12 16 o 285.579 1.85304 439.984      8.14612  448.626      8.15119  255.664     17.898      5.10009     17.8979     
1 1 1 1  12 17 f 389.39  1.87071 826.645      11.2168  825.527      11.2175  230.753     212.674     0           0           
1 1 1 1  12 18 o 198.363 1.87064 209.319      5.70586  219.524      5.72005  201.42      283.933     58.4754     283.933     
1 1 1 1  12 19 o 106.255 1.94328 65.8234      3.18057  57.4143      3.1652   50.1726     86.0841     78.0232     266.084     
1 1 1 1  12 20 o 129.026 1.99276 86.1248      4.07357  95.4579      3.82013  124.611     222.664     33.6364     222.664     
1 1 1 1  12 21 o 168.542 1.89288 152.299      4.90844  157.344      4.9161   157.747     242.33      24.0143     242.33      
1 1 1 1  12 22 o 14.1165 3.74169 1.13276      1.11488  0.396192     1.12036  4.35625     145.284     9.26685     145.284     
1 1 1 1  12 23 o 74.461  2.0898  33.2625      2.39318  27.4315      2.37441  14.3973     229.058     89.9479     49.0579     
1 1 1 1  12 24 o 238.747 1.8925  319.104      6.96205  302.445      6.94981  232.208     86.4109     45.1725     86.4109     
1 1 1 1  12 25 o 57.4557 2.30623 17.5645      2.03027  18.5738      2.03268  25.9209     286.147     21.8536     106.147     
1 1 1 1  12 26 o 65.5708 2.25885 22.1536      2.27083  24.9068      2.27093  47.1216     306.277     18.1219     306.277     
1 1 1 1  12 27 o 87.487  2.16844 42.5424      2.83409  41.0682      2.99372  43.0961     56.3036     60.9332     236.304     
1 1 1 1  12 28 o 294.484 2.03255 474.189      9.21818  471.739      9.21591  292.443     11.035      65.9785     11.035      
1 1 1 1  12 29 o 129.167 2.0678  88.1089      4.22533  93.9643      3.98603  126.646     330.354     33.633      330.354     
1 1 1 1  12 30 o 89.7994 2.36649 46.5671      3.39448  41.6798      3.14052  52.7425     193.414     45.2777     13.4142     
1 1 1 1  12 31 o 188.003 2.38311 195.104      7.23108  191.018      6.55723  175.284     306.81      22.834      306.81      
1 1 1 1  12 32 o 127.1   2.64805 89.5696      4.56535  87.3175      5.70813  100.56      247.046     18.6413     67.0457     
1 1 1 1  12 33 o 152.396 2.15306 119.62       5.03761  134.403      5.05582  160.061     106.893     56.8402     106.893     
1 1 1 1  12 34 f 164.248 2.43087 151.059      6.47251  144.352      5.8189   119.276     196.635     0           0           
1 1 1 1  12 35 o 116.286 2.41135 74.1691      4.30761  74.1486      4.31897  109.65      129.653     20.8363     129.653     
1 1 1 1  12 36 o 188.754 2.1238  191.077      5.70836  199.174      6.62044  202.243     350.939     77.6145     350.939     
1 1 1 1  12 37 o 70.7476 2.42039 28.2023      2.51031  26.9265      2.73592  54.2339     92.6974     10.0537     272.697     
1 1 1 1  12 38 f 45.3369 2.98885 11.203       2.19433  11.7392      1.90982  31.5649     47.0977     0           0           
1 1 1 1  12 39 o 99.1726 2.32147 53.9486      3.79918  54.5246      3.25623  93.0785     213.318     16.1515     213.317     
1 1 1 1  12 40 o 43.6646 2.90414 11.5301      1.91756  9.87091      1.93002  21.1105     63.1402     30.1833     243.14      
1 1 1 1  12 41 o 44.3995 2.9052  12.8814      1.94738  9.40157      1.93732  42.1515     13.4923     13.0879     13.4923     
1 1 1 1  12 42 o 95.3637 2.35759 50.5367      3.6918   50.3617      3.20386  90.9624     343.853     19.5144     343.853     
1 1 1 1  12 43 o 54.1854 2.9892  16.8016      2.72603  16.3347      2.19619  41.5828     8.42772     7.32277     188.428     
1 1 1 1  12 44 o 84.0924 2.654   43.6549      3.44932  35.7671      3.3857   69.6531     225.902     3.58208     45.9022     
1 1 1 1  12 45 o 76.6696 2.4507  32.6184      2.98512  33.2193      2.78023  63.8277     29.6555     2.22513     209.655     
1 1 1 1  12 46 o 20.3426 4.69304 2.19428      1.64452  2.79217      1.7415   11.586      150.994     0.109185    150.994     
1 1 1 1  12 47 o 25.1152 4.96839 4.32332      1.72732  3.65941      2.34394  14.5824     142.838     7.81369     322.838     
1 1 1 1  12 48 o 35.8435 4.17686 7.55111      2.23062  8.1544       2.21665  21.1797     133.737     15.2172     313.737     
1 1 1 1  12 49 o 15.5013 4.51164 1.71813      1.80519  -0.544427    1.84971  0.0201263   82.0674     20.0638     82.068      
1 1 1 1  12 50 o 15.7537 4.55263 0.0599384    1.89933  1.66053      1.72765  3.0281      54.3976     0.519492    234.398     
1 1 1 1  12 51 o 16.5694 5.16487 0.622063     2.04807  0.703448     3.08121  8.32909     86.787      1.22551     266.787     
1 1 1 1  12 52 o 14.8    4.57738 0.177791     1.90371  0.655932     2.05872  4.83563     192.394     8.04071     12.3939     
1 1 1 1  12 53 o 35.383  4.23312 9.88353      2.15344  6.70079      2.22113  29.291      171.862     2.48699     171.862     
1 1 1 1  12 54 o 12.6871 4.11203 -0.288834    1.90164  -0.486895    1.7272   3.42487     320.935     8.0655      140.935     
1 1 1 1  12 55 o 15.9917 4.63438 0.442155     1.88035  2.22443      1.87512  8.74351     202.665     3.06878     22.6647     
1 1 1 1  12 56 o 41.7117 4.12935 11.5255      2.76154  12.0995      2.3328   40.8881     242.98      15.2331     242.98      
1 1 1 1  12 57 o 22.6494 5.1709  3.89068      2.0744   4.52392      2.04873  19.3621     27.5154     9.96183     27.5154     
1 1 1 1  12 58 o 17.0496 4.85567 1.93679      1.95627  2.24267      1.96293  6.51319     166.383     6.8358      346.383     
1 1 1 1  12 59 o 23.585  4.91191 2.34842      2.1696   6.73086      2.12512  16.943      69.3123     6.2433      69.3123     
1 1 1 1  12 60 o 20.1576 5.21294 4.35845      2.13811  3.25436      2.12096  13.003      167.599     0.594656    347.599     
1 1 1 1  12 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  13 0  o 231.279 1.82769 291.374      6.50739  291.374      6.50739  243.569     90          69.7727     90          
1 1 1 1  13 1  o 242.778 1.82897 319.595      6.83502  322.412      6.84018  174.18      129.664     70.4717     309.664     
1 1 1 1  13 2  o 371.511 1.84189 773.815      10.5412  729.878      10.5269  398.678     308.979     144.976     308.979     
1 1 1 1  13 3  o 428.596 1.92072 987.854      13.0861  1013.17      12.2406  397.046     208.801     32.7676     208.801     
1 1 1 1  13 4  o 220.316 1.83063 263.219      6.21097  265.499      6.21025  194.461     275.633     17.0862     275.633     
1 1 1 1  13 5  o 77.6182 1.93552 33.3252      2.31123  32.3862      2.30801  2.26967     49.4861     53.8649     229.486     
1 1 1 1  13 6  o 128.074 1.84995 85.5164      3.64265  93.2428      3.64946  42.1725     258.054     22.5101     258.054     
1 1 1 1  13 7  o 94.1852 1.90851 50.1793      2.76791  46.5678      2.75977  27.569      305.663     63.2347     125.663     
1 1 1 1  13 8  o 249.013 1.81608 334.78       6.96414  340.696      6.9631   220.079     189.965     8.6808      189.965     
1 1 1 1  13 9  o 461.216 1.96721 1153.55      13.9847  1163.91      13.958   372.187     236.293     79.2859     56.2926     
1 1 1 1  13 10 o 80.2728 2.19251 38.1852      2.70471  32.2569      2.69179  22.191      270.968     17.2562     90.968      
1 1 1 1  13 11 o 141.083 1.9587  99.8836      4.23724  117.328      4.25408  87.5309     157.06      59.9228     337.06      
1 1 1 1  13 12 o 70.3489 2.24035 25.083       2.30879  29.0312      2.53418  21.1404     205.535     24.8684     25.5355     
1 1 1 1  13 13 o 123.542 2.16419 80.185       4.10714  86.2542      4.11997  93.568      202.701     13.6447     22.7006     
1 1 1 1  13 14 o 396.961 1.98998 860.569      12.1648  856.591      12.1636  352.867     329.674     1.45133     149.675     
1 1 1 1  13 15 o 202.551 1.86059 229.977      5.80545  217.176      5.79779  156.038     49.9795     41.9392     229.979     
1 1 1 1  13 16 o 379.309 1.86895 782.115      10.9153  785.785      10.9176  397.94      53.454      122.008     53.454      
1 1 1 1  13 17 o 164.25  1.88125 153.112      4.76111  141.03       4.74969  144.923     22.4791     6.70296     22.479      
1 1 1 1  13 18 o 194.846 1.87406 207.086      5.625    206.693      5.62095  192.675     77.3366     46.5154     77.3366     
1 1 1 1  13 19 o 16.5029 3.76501 1.37526      1.08688  1.51188      1.09183  37.8072     112.776     82.2787     112.776     
1 1 1 1  13 20 o 216.852 1.87926 266.973      6.27842  245.84       6.26488  170.145     93.8753     40.03       273.875     
1 1 1 1  13 21 o 135.796 1.91793 108.094      4.01148  93.2148      3.99445  146.049     321.858     69.1486     321.858     
1 1 1 1  13 22 o 164.072 1.90047 148.715      4.80435  144.786      4.79823  167.793     271.957     55.7152     271.957     
1 1 1 1  13 23 o 159.303 1.92048 131.678      4.70056  145.187      4.71389  116.982     225.363     41.7346     45.3626     
1 1 1 1  13 24 f 199.807 1.90498 214.908      5.85719  220.423      5.86472  183.438     142.442     0           0           
1 1 1 1  13 25 o 251.34  1.95926 345.781      7.33976  343.14       7.81685  235.699     57.5494     29.9176     57.5494     
1 1 1 1  13 26 o 215.047 1.90867 261.212      6.3301   243.257      6.30579  189.203     74.2855     2.22783     74.2855     
1 1 1 1  13 27 o 96.9879 2.07699 50.6113      3.09698  52.109       3.09941  102.447     300.286     50.6703     300.286     
1 1 1 1  13 28 o 95.2003 2.2305  47.7253      3.25582  51.3398      3.27214  66.6892     52.6407     25.2661     232.641     
1 1 1 1  13 29 o 213.871 2.05586 248.144      6.76666  251.036      6.77467  198.137     72.4912     23.5806     72.4912     
1 1 1 1  13 30 o 272.214 2.05484 397.689      8.59465  411.309      8.63106  270.437     83.3722     64.9698     83.3722     
1 1 1 1  13 31 o 124.673 2.85365 82.321       5.46664  88.1238      5.47122  130.705     246.12      48.5272     246.12      
1 1 1 1  13 32 o 155.452 2.29256 132.066      5.49353  132.208      5.48227  173.453     346.034     79.7791     346.034     
1 1 1 1  13 33 o 114.061 2.52027 67.5992      4.21664  75.1783      4.62869  104.877     188.006     15.9207     188.006     
1 1 1 1  13 34 o 34.3429 4.82704 7.98017      2.56133  5.71803      2.36825  8.34864     286.889     28.7525     106.889     
1 1 1 1  13 35 o 107.206 2.25152 60.5723      3.94333  65.5773      3.43946  99.1217     128.335     15.994      128.335     
1 1 1 1  13 36 f 23.8246 4.36703 3.72748      1.69641  2.89231      1.54191  28.0513     91.9295     0           0           
1 1 1 1  13 37 o 24.1112 4.13944 2.80849      1.52076  3.99394      1.54176  4.55696     10.9072     22.5243     190.907     
1 1 1 1  13 38 o 75.2699 2.35774 33.339       2.83843  29.2983      2.61492  58.0996     51.1567     11.6355     231.157     
1 1 1 1  13 39 o 91.9717 2.341   47.1776      3.54633  46.3116      3.05902  83.9893     333.254     11.3924     333.254     
1 1 1 1  13 40 o 41.8134 3.01156 10.0438      1.94796  9.6711       1.87629  36.6248     283.78      6.56449     283.78      
1 1 1 1  13 41 o 123.259 2.23747 82.6471      3.93599  85.5046      4.53995  125.157     30.296      40.1617     30.296      
1 1 1 1  13 42 o 68.04   2.41064 25.3764      2.51258  26.166       2.52247  57.8268     83.7301     1.2958      83.7301     
1 1 1 1  13 43 o 10.8681 3.53995 -1.71936     1.36812  -0.378752    1.41359  0.503637    181.383     3.46586     181.383     
1 1 1 1  13 44 o 85.6973 2.26956 42.2989      2.98927  39.6102      2.98765  71.269      151.231     2.49761     331.231     
1 1 1 1  13 45 o 36.5071 3.44719 8.36439      1.87715  7.24266      1.89016  23.4771     318.835     12.2352     138.835     
1 1 1 1  13 46 o 15.9942 4.49106 1.35357      1.74756  0.770642     1.55829  3.15804     82.0352     10.8515     262.035     
1 1 1 1  13 47 o 63.6594 2.64949 24.2494      2.67715  21.8503      2.4954   50.0787     211.497     5.60596     31.4968     
1 1 1 1  13 48 o 16.8656 4.68004 2.15246      1.81805  0.248482     1.88039  5.49591     43.3959     3.88636     223.396     
1 1 1 1  13 49 f 34.7386 4.13005 7.54527      2.22453  7.60964      2.03074  24.0444     175.919     0           0           
1 1 1 1  13 50 o 17.8872 5.13689 1.91376      2.13481  1.38568      2.31077  9.50788     237.004     3.84817     57.0036     
1 1 1 1  13 51 o 20.761  5.21029 3.04923      2.02887  2.90342      2.15412  12.2828     235.446     5.25217     55.4464     
1 1 1 1  13 52 o 14.6724 4.63045 0.671528     1.71697  -0.684219    2.68342  1.83412     151.61      0.638513    331.61      
1 1 1 1  13 53 f 18.0281 5.01117 2.37366      2.0405   1.85072      2.04335  11.1974     138.748     0           0           
1 1 1 1  13 54 o 12.2377 3.98628 -0.510537    1.73845  -0.444178    1.73662  3.6937      302.973     5.84477     122.973     
1 1 1 1  13 55 o 23.447  5.1753  4.73386      2.0057   3.9742       2.18279  20.0079     178.147     7.44745     178.147     
1 1 1 1  13 56 o 15.7916 4.7136  1.74943      1.91198  1.07286      2.04815  8.03034     345.048     1.75877     165.048     
1 1 1 1  13 57 o 16.6409 4.82068 0.653971     1.96115  2.95825      2.10333  7.19427     112.79      3.87675     292.79      
1 1 1 1  13 58 o 20.2708 5.28138 3.88418      2.25082  3.17219      2.09573  10.2867     180.49      0.910739    0.489656    
1 1 1 1  13 59 o 17.1375 4.90308 1.3157       2.05543  3.38563      2.08789  4.71737     299.374     13.5209     119.374     
1 1 1 1  13 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  14 0  o 234.723 1.83337 300.135      6.62484  300.135      6.62484  235.557     270         49.735      270         
1 1 1 1  14 1  o 137.668 1.84497 103.689      3.91137  102.778      3.91103  56.1802     326.895     115.629     146.895     
1 1 1 1  14 2  o 193.873 1.83267 203.034      5.47048  206.437      5.47186  152.203     114.647     25.6809     294.647     
1 1 1 1  14 3  o 423.814 1.85641 971.313      12.1207  985.494      12.1096  426.406     320.653     101.517     320.653     
1 1 1 1  14 4  o 117.528 1.86986 69.7619      3.37139  80.9247      3.38366  73.2816     314.264     34.9607     134.264     
1 1 1 1  14 5  o 147.346 1.91261 116.448      4.48075  120.1        4.18834  73.5216     316.857     100.922     136.857     
1 1 1 1  14 6  o 425.778 1.85197 994.691      12.1461  980.373      12.1384  389.519     274.617     22.5509     274.617     
1 1 1 1  14 7  o 206.854 1.82339 231.18       5.80838  234.991      5.80748  120.943     315.939     118.885     135.939     
1 1 1 1  14 8  o 335.084 1.95083 604.028      10.0633  619.422      10.0678  303.992     156.772     15.3617     156.772     
1 1 1 1  14 9  o 77.2894 2.24211 34.4364      2.66428  30.828       2.65555  24.8813     97.8203     172.704     97.8203     
1 1 1 1  14 10 o 45.7625 2.59902 10.4337      1.75928  12.5975      1.8689   57.531      294.621     176.858     294.621     
1 1 1 1  14 11 o 48.1426 2.27179 12.2222      1.67381  13.1626      1.67337  18.1799     356.317     90.157      356.317     
1 1 1 1  14 12 o 195.663 2.0646  204.725      6.21751  212.57       6.22219  159.709     243.974     20.2879     63.9741     
1 1 1 1  14 13 o 322.125 1.9368  563.656      9.60414  567.208      9.61025  303.801     220.847     38.4422     220.847     
1 1 1 1  14 14 o 258.367 1.83851 351.203      7.30375  376.494      7.31942  246.792     90.7839     39.7517     90.7839     
1 1 1 1  14 15 o 49.8282 2.20406 15.1699      1.67724  12.093       1.6715   2.88988     329.649     51.8468     149.649     
1 1 1 1  14 16 f 55.5522 2.15116 18.0352      1.82547  15.7505      1.83364  30.0173     19.184      0           0           
1 1 1 1  14 17 o 113.074 1.9262  65.3734      3.3437   74.1831      3.35157  45.6643     133.605     100.03      313.605     
1 1 1 1  14 18 o 39.8756 2.47553 7.97904      1.49885  9.53643      1.50022  4.50711     2.92186     32.7133     2.92186     
1 1 1 1  14 19 o 135.173 1.90784 96.3668      3.96604  102.883      3.97339  114.359     352.652     1.47373     352.652     
1 1 1 1  14 20 o 198.614 1.88557 227.804      5.77174  202.634      5.74855  168.451     277.995     7.89221     97.9955     
1 1 1 1  14 21 o 50.1096 2.36436 11.8728      1.78735  15.7858      1.81487  12.675      94.482      11.59       274.482     
1 1 1 1  14 22 o 141.582 1.93881 112.355      4.23279  106.27       4.21913  140.606     299.297     41.1963     299.297     
1 1 1 1  14 23 o 222.846 1.89152 269.609      6.48881  271.904      6.49297  204.831     257.927     20.5792     257.927     
1 1 1 1  14 24 o 176.719 1.98345 162.164      5.21573  178.635      5.5813   179.915     158.073     54.7823     158.073     
1 1 1 1  14 25 o 108.674 2.02638 63.5843      3.39013  65.3354      3.38554  87.7259     210.32      6.95218     30.3204     
1 1 1 1  14 26 o 81.9288 2.15694 35.7526      2.71039  37.6086      2.72149  81.4336     0.0318247   43.4756     0.0318247   
1 1 1 1  14 27 o 110.673 2.05024 65.4642      3.4884   68.3023      3.4927   99.6729     91.206      13.985      91.206      
1 1 1 1  14 28 o 117.588 2.10589 73.8937      3.70487  77.1569      3.91567  132.276     161.877     68.5621     161.877     
1 1 1 1  14 29 o 81.5269 2.42636 36.375       2.94141  36.407       3.1341   94.4127     277.561     65.2647     277.561     
1 1 1 1  14 30 o 90.3739 2.71305 46.4286      3.69525  43.1894      3.82874  81.6015     190.969     12.4446     190.969     
1 1 1 1  14 31 o 109.63  2.8937  66.2967      5.62936  65.726       3.98431  107.026     248.87      29.2176     248.87      
1 1 1 1  14 32 o 67.9883 3.12302 26.5674      2.80409  24.5019      3.60536  51.4143     184.028     6.80567     4.02807     
1 1 1 1  14 33 o 23.7294 4.93948 2.67418      1.7974   3.77882      2.0691   0.775711    330.468     13.9535     330.468     
1 1 1 1  14 34 o 13.2884 4.03308 0.149913     1.4747   -0.282858    1.49564  5.13562     23.8956     13.3177     23.8956     
1 1 1 1  14 35 o 58.8339 2.57484 17.4347      2.3966   20.8896      2.20784  34.6128     157.316     28.1039     337.316     
1 1 1 1  14 36 o 54.8244 2.7118  18.3009      2.45863  15.1339      2.0959   56.0457     292.261     24.2056     292.261     
1 1 1 1  14 37 o 70.5602 2.31145 28.5958      2.50812  26.4149      2.4985   64.4556     23.6974     10.3808     23.6975     
1 1 1 1  14 38 o 57.5134 2.72722 20.0842      2.21123  16.8396      2.5321   50.8344     92.0718     6.40857     92.0718     
1 1 1 1  14 39 o 33.5657 3.4276  6.24275      1.70815  6.67731      1.73167  21.7661     188.56      8.72185     8.5601      
1 1 1 1  14 40 o 27.9227 3.92825 4.41306      1.6343   4.77327      1.62455  14.5805     45.4271     12.8546     225.427     
1 1 1 1  14 41 o 24.0335 4.32133 3.74028      1.5957   3.20297      1.61554  12.214      201.753     9.80665     21.753      
1 1 1 1  14 42 o 25.489  4.17538 5.44328      1.65196  2.47033      1.65754  8.90365     94.6558     22.087      274.656     
1 1 1 1  14 43 o 20.7326 4.5044  2.86336      1.57728  2.30507      1.58866  9.15634     220.469     12.0866     40.4692     
1 1 1 1  14 44 o 48.4069 2.89276 13.2873      2.13349  13.4592      2.13873  37.0551     322.731     5.58703     142.731     
1 1 1 1  14 45 o 59.4513 2.62797 21.3814      2.40339  18.7523      2.37727  58.2544     275.305     18.6903     275.305     
1 1 1 1  14 46 o 16.6629 4.54456 1.82787      1.72377  0.775001     1.61327  1.56568     147.621     17.8583     327.621     
1 1 1 1  14 47 o 35.5746 4.17698 7.43782      2.19097  8.22905      2.22242  22.0406     130.228     12.6047     310.228     
1 1 1 1  14 48 o 38.6856 3.50745 9.93193      2.02939  8.16918      2.03094  25.2654     67.5596     11.8637     247.56      
1 1 1 1  14 49 o 69.816  3.29836 26.876       3.51981  31.5872      3.50796  69.9519     92.7817     24.7694     92.7817     
1 1 1 1  14 50 o 33.9984 5.07406 6.3982       2.73601  9.69848      2.42087  27.7446     130.955     1.84452     130.955     
1 1 1 1  14 51 o 42.0805 4.1886  10.5944      2.8225   12.3668      2.32533  39.1495     4.295       11.32       4.295       
1 1 1 1  14 52 o 33.1925 4.90228 7.95639      2.51325  7.63311      2.33585  25.8755     136.509     0.496383    316.509     
1 1 1 1  14 53 o 12.3688 4.12002 -1.46421     2.09804  -0.735385    1.97512  4.10587     324.549     4.25357     144.549     
1 1 1 1  14 54 o 28.1885 5.38853 6.63186      2.57571  6.00852      2.21783  21.193      124.482     0.717266    304.482     
1 1 1 1  14 55 o 39.842  4.01509 11.5855      2.3      9.97658      2.4444   40.1676     121.133     17.7696     121.133     
1 1 1 1  14 56 o 23.2717 5.26226 3.54206      2.04085  5.5762       2.27689  17.6622     153.735     3.54894     153.735     
1 1 1 1  14 57 o 23.9422 5.18576 6.03778      2.12413  3.4992       2.30415  16.1168     7.70001     2.61538     7.70001     
1 1 1 1  14 58 o 17.1329 4.87163 1.17419      2.02919  3.33064      2.05311  6.90825     152         0.403646    332         
1 1 1 1  14 59 o 16.1429 4.88715 1.81943      2.07545  2.26537      2.25095  8.64024     54.8953     2.01541     234.895     
1 1 1 1  15 0  o 125.309 1.98869 85.651       3.83307  85.651       3.83307  76.23       270         70.8863     90          
1 1 1 1  15 1  o 154.737 1.84564 127.415      4.39421  133.507      4.39964  120.987     217.992     19.0182     37.9921     
1 1 1 1  15 2  o 257.758 1.83497 346.671      7.27132  377.569      7.28605  223.598     241.07      3.47833     61.0702     
1 1 1 1  15 3  o 217.025 1.90036 252.375      6.55467  260.885      6.13176  159.398     137.228     58.9319     317.228     
1 1 1 1  15 4  o 355.567 1.90746 700.622      10.7913  677.13       10.0947  329.694     330.785     32.131      330.785     
1 1 1 1  15 5  o 104.1   1.89201 60.8528      3.03146  57.3014      3.02961  78.0263     124.071     48.6933     124.071     
1 1 1 1  15 6  o 392.299 1.91248 852.46       11.9397  824.734      11.1642  405.326     339.919     118.173     339.919     
1 1 1 1  15 7  o 125.492 2.00029 81.8442      3.85766  89.882       3.86732  117.068     269.912     32.953      269.912     
1 1 1 1  15 8  o 215.699 2.11266 251.722      7.01653  255.421      7.01772  206.162     89.14       38.5621     89.14       
1 1 1 1  15 9  o 221.852 1.92889 271.353      6.58928  265.07       6.58926  204.408     280.548     22.9868     280.548     
1 1 1 1  15 10 o 171.817 1.94687 154.198      5.1435   167.697      5.15211  136.083     108.375     23.8753     288.375     
1 1 1 1  15 11 o 295.443 2.04397 483.765      9.30654  467.776      9.28984  310.9       223.534     103.58      223.534     
1 1 1 1  15 12 o 111.222 2.15095 62.4354      3.34874  72.7277      4.0167   107.145     180.033     38.7373     180.033     
1 1 1 1  15 13 o 166.865 1.81234 156.96       4.66133  146.596      4.64879  170.283     163.054     57.1488     163.054     
1 1 1 1  15 14 o 119.883 1.8606  77.5713      3.43377  79.0868      3.43562  108.087     184.696     20.3507     184.696     
1 1 1 1  15 15 o 189.924 1.83473 201.176      5.36787  192.062      5.36187  146.854     124.144     34.9383     304.144     
1 1 1 1  15 16 o 182.989 1.86609 181.151      5.25685  183.879      5.25956  205.229     272.845     100.288     272.845     
1 1 1 1  15 17 f 222.886 1.86453 258.745      6.38335  283.106      6.40685  177.83      12.6244     0           0           
1 1 1 1  15 18 o 91.173  1.97904 45.8888      2.77678  44.8388      2.7734   61.0282     187.494     23.4303     7.49373     
1 1 1 1  15 19 o 155.407 1.90489 128.21       4.55524  135.169      4.55967  136.51      284.823     7.57147     284.823     
1 1 1 1  15 20 o 102.141 1.97534 59.1407      3.10777  54.7589      3.09718  87.8679     62.9351     8.5328      62.9351     
1 1 1 1  15 21 o 33.3964 2.93259 6.41402      1.47663  5.96212      1.47308  40.3724     252.914     128.526     252.914     
1 1 1 1  15 22 o 170.171 1.97541 159.262      5.00245  156.568      5.34168  158.374     241.548     23.9264     241.548     
1 1 1 1  15 23 o 33.0712 3.28123 5.99007      1.61864  6.2057       1.6313   0.353156    21.1679     13.274      21.168      
1 1 1 1  15 24 o 22.0527 3.93731 1.49831      1.39439  4.03063      1.41747  13.2719     169.939     36.4509     169.939     
1 1 1 1  15 25 o 16.9792 4.20168 1.25323      1.37052  1.54378      1.3446   17.8743     342.779     42.5161     342.779     
1 1 1 1  15 26 o 86.1969 2.40233 41.4979      3.03203  39.7969      3.31893  78.4412     257.254     17.5007     257.254     
1 1 1 1  15 27 o 103.999 2.1408  57.389       3.52125  60.8487      3.31683  104.289     15.9901     35.1019     15.9901     
1 1 1 1  15 28 o 154.438 2.1453  123.643      5.41308  137.102      4.72056  161.392     330.728     58.4057     330.728     
1 1 1 1  15 29 o 34.0843 4.18182 7.09389      2.25001  6.11283      1.98343  10.3365     242.771     11.3269     62.7707     
1 1 1 1  15 30 o 71.8452 2.56209 26.1016      2.81018  30.6962      2.82731  69.5694     312.26      26.5659     312.26      
1 1 1 1  15 31 o 90.5657 2.22622 42.4534      2.99544  47.5372      3.20542  73.8701     183.214     3.31723     3.21385     
1 1 1 1  15 32 o 125.14  2.74999 88.9967      5.6187   83.3982      4.96338  110.69      141.17      8.65648     141.17      
1 1 1 1  15 33 o 40.8965 3.85468 8.70309      2.40981  10.2543      2.29475  29.4696     295.07      1.17048     295.07      
1 1 1 1  15 34 o 63.3662 2.47324 22.4094      2.3054   21.9225      2.4959   54.5915     217.3       5.13559     217.3       
1 1 1 1  15 35 o 16.0373 4.35854 -0.807345    1.48468  2.23119      1.81758  0.678404    83.8605     10.6913     83.8605     
1 1 1 1  15 36 o 61.4595 2.51876 20.3238      2.46494  21.5701      2.26967  47.1157     125.931     8.24604     305.931     
1 1 1 1  15 37 o 68.7894 2.3518  28.2911      2.48255  24.1868      2.47362  61.3188     98.5326     7.7813      98.5326     
1 1 1 1  15 38 o 43.7474 2.85569 10.4073      1.89907  11.1135      1.90333  37.6637     340.629     5.35636     340.629     
1 1 1 1  15 39 o 37.5198 3.19835 8.84496      1.80023  7.2362       1.80201  30.1163     27.4731     1.41355     27.473      
1 1 1 1  15 40 o 37.6802 3.26836 7.28908      1.85303  9.00504      1.83649  17.3555     30.7887     26.5212     210.789     
1 1 1 1  15 41 o 76.5432 2.34429 36.4444      2.76183  29.0525      2.72703  67.5807     348.819     6.78552     348.819     
1 1 1 1  15 42 o 20.5656 4.49211 3.48756      1.68723  1.56329      1.55182  4.4539      118.355     22.0306     298.355     
1 1 1 1  15 43 o 109.939 2.15197 69.1957      3.64128  65.6196      3.63612  109.524     10.5034     34.7448     10.5034     
1 1 1 1  15 44 o 80.3645 2.34736 34.7009      2.90069  37.919       2.8915   70.2638     34.7991     6.84439     34.7992     
1 1 1 1  15 45 o 21.5678 4.64847 3.14119      1.68863  2.69083      1.68519  12.069      221.831     1.90648     221.831     
1 1 1 1  15 46 o 17.7655 4.81003 1.26611      1.86221  2.03266      1.84237  4.10055     53.8589     0.211138    233.859     
1 1 1 1  15 47 o 36.0609 3.74551 8.62722      2.0209   7.33362      2.00322  29.1356     236.189     1.39894     236.189     
1 1 1 1  15 48 o 46.7145 3.59092 13.2927      2.65848  13.3867      2.41267  42.9531     251.697     10.3546     251.697     
1 1 1 1  15 49 o 40.3232 4.23649 11.8218      2.51099  9.18799      2.54056  26.2788     42.5022     12.5743     222.502     
1 1 1 1  15 50 o 10.6837 3.59703 -0.971475    1.60892  -2.23416     1.67849  0.305281    53.4927     6.75171     53.4928     
1 1 1 1  15 51 o 38.6406 3.9384  9.81611      2.27296  9.52614      2.278    32.4034     353.785     3.30519     353.785     
1 1 1 1  15 52 o 22.5258 5.18929 4.90302      2.21276  2.95545      1.97957  19.1644     298.392     6.56587     298.392     
1 1 1 1  15 53 o 19.7882 5.17631 3.70335      1.96626  2.08409      2.45786  11.9531     15.7871     3.88166     195.787     
1 1 1 1  15 54 o 19.5662 5.21155 3.88304      2.18532  2.1444       2.196    12.8896     50.2588     0.213478    230.259     
1 1 1 1  15 55 o 14.2578 4.5626  0.957185     2.40018  0.044292     1.85932  4.67329     234.973     4.02103     54.9726     
1 1 1 1  15 56 o 19.7072 4.99644 4.73265      2.13832  1.38229      2.0154   9.35454     26.8948     0.239371    26.8948     
1 1 1 1  15 57 o 16.5866 4.89103 2.83551      2.18194  1.16563      2.02     4.54404     236.064     10.9915     56.0637     
1 1 1 1  15 58 o 18.2476 5.0234  4.65701      2.24764  1.1647       2.09723  11.2475     100.034     3.75545     100.034     
1 1 1 1  15 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  16 0  f 179.627 1.84412 175.852      5.09851  175.852      5.09851  112.177     90          0           0           
1 1 1 1  16 1  o 68.0967 1.97153 28.7711      2.05544  22.0778      2.04426  11.5958     335.235     79.7616     155.235     
1 1 1 1  16 2  o 11.6372 3.17162 0.290833     0.808201 0.637974     0.809668 43.1327     330.457     89.6156     330.457     
1 1 1 1  16 3  o 77.0001 1.93667 35.0399      2.29051  29.7707      2.28375  7.96425     359.734     107.364     179.734     
1 1 1 1  16 4  o 55.553  2.12981 15.0825      1.8539   18.7608      1.74534  4.64747     111.715     65.4577     291.715     
1 1 1 1  16 5  o 280.647 1.90767 419.575      8.49857  438.984      7.9661   252.545     87.5867     14.3542     87.5867     
1 1 1 1  16 6  o 348.728 1.97348 655.22       10.5958  670.408      10.5985  298.154     6.55616     16.1549     186.556     
1 1 1 1  16 7  o 183.035 2.04193 180.641      5.53649  184.58       5.96998  166.544     326.707     19.0728     326.707     
1 1 1 1  16 8  o 176.163 1.95352 158.634      5.28275  179.982      5.30128  116.894     302.634     69.9971     122.634     
1 1 1 1  16 9  o 152.105 1.97861 129.694      4.63844  122.564      4.62784  146.957     261.198     38.4856     261.198     
1 1 1 1  16 10 o 112.85  2.1735  68.0885      3.77436  70.8955      3.77141  78.8777     96.0089     27.8143     276.009     
1 1 1 1  16 11 o 77.4337 2.06668 33.9562      2.46521  31.5355      2.45241  53.9697     0.879005    6.8666      0.879005    
1 1 1 1  16 12 o 133.833 1.95759 92.9801      3.71145  102.409      4.35556  139.715     208.593     62.51       208.593     
1 1 1 1  16 13 o 46.9539 2.30276 11.5231      1.64974  12.654       1.65696  12.395      267.115     83.7478     267.115     
1 1 1 1  16 14 o 99.6445 2.03308 52.6234      2.89459  55.7602      3.33325  81.4017     231.867     6.15234     231.867     
1 1 1 1  16 15 o 49.9858 2.21792 12.9519      1.61369  14.4293      1.78472  5.67076     277.632     80.1991     277.632     
1 1 1 1  16 16 o 123.691 1.94615 85.8975      3.56546  80.964       3.83298  128.419     40.03       55.3061     40.03       
1 1 1 1  16 17 o 196.093 1.8531  207.688      5.59385  211.572      5.59712  187.097     61.4548     36.581      61.4548     
1 1 1 1  16 18 o 129.398 1.92232 93.814       3.83474  88.8065      3.82415  129.989     336.156     43.4275     336.156     
1 1 1 1  16 19 o 97.7576 2.08193 55.091       3.00903  49.3267      3.22842  69.9154     163.755     21.9552     343.755     
1 1 1 1  16 20 o 16.77   3.95063 1.35972      1.19636  1.54733      1.19528  6.45289     158.821     15.0807     158.821     
1 1 1 1  16 21 o 131.71  1.9495  93.566       3.95017  95.653       3.95749  119.898     31.3816     17.951      31.3817     
1 1 1 1  16 22 o 159.645 2.08711 137.003      4.72027  141.11       5.52099  147.188     314.814     22.4494     314.814     
1 1 1 1  16 23 o 133.258 2.05308 101.211      4.04094  92.663       4.35874  146.379     314.081     70.6125     314.081     
1 1 1 1  16 24 o 81.0881 2.18621 36.6875      2.78856  35.2116      2.6614   15.8196     339.996     104.002     159.996     
1 1 1 1  16 25 o 136.204 2.13057 98.4857      4.75611  104.139      4.13968  121.687     245.952     11.5592     245.952     
1 1 1 1  16 26 o 35.4861 3.129   6.36808      1.67203  7.68078      1.65731  11.913      286.522     18.089      106.522     
1 1 1 1  16 27 o 93.3334 2.1001  44.011       2.99998  51.4247      3.01625  77.5251     292.67      0.31897     112.67      
1 1 1 1  16 28 o 41.1591 3.2384  9.14368      2.01903  9.71235      2.01461  4.29656     0.0416182   53.2336     180.042     
1 1 1 1  16 29 o 93.6472 2.58036 44.4303      3.89988  52.045       3.46012  83.8606     310.025     12.654      310.025     
1 1 1 1  16 30 o 57.4535 2.88339 17.1829      2.63822  19.3382      2.40162  43.371      343.222     3.15261     163.222     
1 1 1 1  16 31 o 97.652  2.841   51.5912      4.00062  53.6298      4.5178   65.6645     355.775     33.2857     175.775     
1 1 1 1  16 32 o 29.2852 4.1158  5.38246      1.58974  4.52567      1.97035  5.56602     237.72      30.2332     57.7199     
1 1 1 1  16 33 o 53.4684 2.9163  16.9088      2.39078  14.9453      2.36814  38.6164     359.68      9.91873     179.68      
1 1 1 1  16 34 o 133.572 2.17791 94.4305      4.15513  101.988      4.80034  128.456     344.899     30.0178     344.899     
1 1 1 1  16 35 o 102.054 2.18861 56.5794      3.29831  58.2912      3.57055  97.6115     151.31      23.0787     151.31      
1 1 1 1  16 36 o 57.133  2.71639 17.1211      2.37508  19.3402      2.36895  46.6256     128.793     0.813734    308.793     
1 1 1 1  16 37 o 33.9426 3.67029 5.295        1.88215  8.16969      1.72475  18.9677     182.211     15.2196     2.2107      
1 1 1 1  16 38 o 26.0952 4.23927 4.18126      1.75696  3.96094      1.57862  5.57253     135.327     28.6961     315.327     
1 1 1 1  16 39 o 37.9493 3.22567 6.54915      1.79715  10.1125      1.81487  33.0262     209.519     6.19509     209.519     
1 1 1 1  16 40 o 94.385  2.20118 53.6822      3.20073  45.5053      3.17401  75.8762     158.765     6.66187     338.765     
1 1 1 1  16 41 o 94.456  2.20791 49.9921      3.2104   49.479       3.20363  93.7506     177.106     29.732      177.106     
1 1 1 1  16 42 o 32.1705 3.83189 7.19237      1.80472  5.25299      1.82583  29.9884     109.185     12.6472     109.185     
1 1 1 1  16 43 o 19.175  4.37305 3.33121      1.59252  0.835521     1.58787  8.1449      14.4884     0.832813    194.488     
1 1 1 1  16 44 o 39.4131 3.30737 9.38875      1.96497  8.83231      1.96924  26.6644     302.169     9.47507     122.169     
1 1 1 1  16 45 o 14.7232 4.42983 0.601        1.75681  0.320375     1.76373  1.14055     48.5765     13.6814     228.576     
1 1 1 1  16 46 o 54.1241 3.02407 17.6758      2.49241  16.7296      2.50518  48.4855     305.334     9.1317      305.334     
1 1 1 1  16 47 o 19.2113 4.82913 1.46174      1.8529   3.17538      1.85271  9.66294     171.18      7.46898     351.18      
1 1 1 1  16 48 f 14.9174 4.60333 0.0491169    2.03672  0.770362     1.97253  7.36282     3.98456     0           0           
1 1 1 1  16 49 o 41.0117 3.60916 8.71786      2.17613  12.3908      2.21146  40.5335     136.728     16.7735     136.728     
1 1 1 1  16 50 o 15.9    4.60048 0.74292      1.74401  1.82415      1.86536  7.78176     111.617     2.35408     291.617     
1 1 1 1  16 51 o 18.3734 4.85179 3.25987      1.93974  1.35355      1.86849  9.67935     30.2243     6.94219     210.224     
1 1 1 1  16 52 o 14.9468 4.48133 -1.28566     2.11706  2.17039      1.85447  6.56545     327.655     0.108907    147.655     
1 1 1 1  16 53 o 20.7457 5.37383 3.38858      2.20661  3.75589      2.28087  14.4274     242.006     0.880112    242.006     
1 1 1 1  16 54 o 14.562  4.64297 0.656838     1.84344  0.473435     2.58805  5.02129     255.428     2.34432     75.4284     
1 1 1 1  16 55 o 17.0463 5.12261 2.81855      2.49647  1.18253      2.21614  5.43758     54.0337     5.11469     234.034     
1 1 1 1  16 56 o 16.3247 4.72113 -0.227887    1.98421  3.43992      2.10427  4.71706     305.871     9.08307     125.871     
1 1 1 1  16 57 o 13.7524 4.3765  1.40309      1.98987  -0.0343046   1.94148  3.93033     47.5143     1.46311     227.514     
1 1 1 1  16 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  17 0  o 168     1.85509 153.855      4.7965   153.855      4.7965   219.659     90          144.214     90          
1 1 1 1  17 1  o 133.731 1.86873 99.975       3.84929  95.0009      3.84548  117.441     358.569     13.835      358.569     
1 1 1 1  17 2  o 178.977 1.91611 171.427      5.44818  177.798      5.10014  182.093     348.31      61.5103     348.31      
1 1 1 1  17 3  o 121.948 1.88566 79.8072      3.53877  82.3126      3.54268  100.203     83.8885     0.796887    83.8885     
1 1 1 1  17 4  o 142.874 1.99568 104.889      4.37935  117.852      4.39153  113.68      291.433     12.2171     111.433     
1 1 1 1  17 5  o 92.0493 2.05812 47.0153      2.91486  45.4701      2.91184  80.1076     33.233      37.7816     33.233      
1 1 1 1  17 6  o 259.645 2.05358 371.687      7.89696  363.417      8.50553  288.942     115.804     130.961     115.804     
1 1 1 1  17 7  o 147.397 2.06937 116.547      4.51287  120.372      4.87885  100.05      22.8255     48.9843     202.826     
1 1 1 1  17 8  o 169.418 1.97431 150.805      5.14476  162.244      5.15167  116.388     307.02      56.2336     127.02      
1 1 1 1  17 9  o 152.949 2.00466 121.75       5.01853  133.463      4.36395  122.038     317.832     14.0996     137.832     
1 1 1 1  17 10 f 100.514 2.02607 54.2355      3.13015  56.03        3.1348   136.798     49.493      0           0           
1 1 1 1  17 11 o 12.4044 3.28172 0.907634     0.863949 0.266844     0.860639 30.561      83.7064     64.4039     83.7064     
1 1 1 1  17 12 o 108.785 1.90734 61.4476      3.28401  67.7074      3.08441  49.457      339.185     82.8507     159.185     
1 1 1 1  17 13 o 87.0279 1.86961 44.1475      2.5063   38.601       2.49134  51.5525     193.855     36.9305     13.8549     
1 1 1 1  17 14 o 105.483 1.95507 60.5663      3.37175  60.8169      2.96167  66.603      106.676     42.3073     286.676     
1 1 1 1  17 15 o 44.8891 2.45927 11.7948      1.69215  10.3545      1.67634  12.453      107.302     27.7692     287.302     
1 1 1 1  17 16 o 145.096 1.86518 115.993      4.00999  113.579      4.31559  100.317     229.247     46.6686     49.2473     
1 1 1 1  17 17 o 138.135 1.91916 98.9035      3.9253   109.32       4.24135  135.01      19.4925     38.1418     19.4925     
1 1 1 1  17 18 o 67.1729 2.2918  22.1068      2.13648  27.3946      2.59734  31.8577     15.7556     40.937      195.756     
1 1 1 1  17 19 o 10.0768 3.24629 -0.162075    0.926428 -1.87635     1.41408  7.37822     332.278     15.4969     332.278     
1 1 1 1  17 20 o 67.8672 2.23549 22.7342      2.37248  27.7798      2.25531  56.1257     104.552     19.5474     104.552     
1 1 1 1  17 21 o 86.6927 2.22971 42.7771      3.18017  39.4179      2.76163  92.7438     178.417     56.0048     178.417     
1 1 1 1  17 22 o 164.557 1.98772 144.123      5.18924  151.465      4.86903  193.754     9.32105     109.679     9.32105     
1 1 1 1  17 23 o 80.3602 2.11014 36.8562      2.61659  33.7974      2.59396  56.501      92.3465     19.1444     272.346     
1 1 1 1  17 24 o 213.559 1.90453 248.053      6.26208  249.889      6.26428  225.024     195.677     84.452      195.677     
1 1 1 1  17 25 o 146.46  1.96955 112.01       4.42822  122.433      4.45003  150.256     341.53      52.8417     341.53      
1 1 1 1  17 26 o 115.817 2.17779 71.5186      4.14672  75.283       3.57822  101.229     62.8081     8.28418     62.8081     
1 1 1 1  17 27 o 56.1717 2.84876 13.9419      2.38405  21.2769      2.43192  42.5066     19.574      0.429199    19.5739     
1 1 1 1  17 28 o 13.4913 3.90733 0.966311     1.28553  -0.798892    1.46639  18.3499     244.437     44.694      244.437     
1 1 1 1  17 29 o 80.077  2.24297 38.5258      2.65615  32.0443      2.82715  58.9264     69.5218     14.6407     249.522     
1 1 1 1  17 30 o 77.1686 2.67943 32.8761      3.04542  32.8739      3.29767  45.2967     15.8464     37.9669     195.846     
1 1 1 1  17 31 f 55.7278 2.70895 19.3068      2.20034  15.2476      2.36856  43.7907     55.0339     0           0           
1 1 1 1  17 32 o 124.753 2.08165 83.4779      4.10159  87.5921      3.8863   133.916     87.0858     57.2964     87.0858     
1 1 1 1  17 33 f 23.6195 4.25769 3.81047      1.65236  2.79304      1.46472  24.7426     45.4576     0           0           
1 1 1 1  17 34 o 96.2058 2.47561 48.7051      3.64157  53.9198      3.67549  75.8886     309.243     9.80992     129.243     
1 1 1 1  17 35 o 75.5124 2.43792 31.5108      2.61157  31.8021      3.0282   58.9516     303.168     7.8687      123.168     
1 1 1 1  17 36 o 39.8725 3.18556 7.96468      1.81633  10.1855      2.02343  25.5376     193.074     12.5205     13.0737     
1 1 1 1  17 37 o 35.6076 3.62731 7.16643      1.92132  7.52328      1.94137  23.9633     289.343     7.96144     109.343     
1 1 1 1  17 38 o 29.7752 4.00643 5.58959      1.87003  4.94896      1.67118  16.3003     172.469     13.9063     352.469     
1 1 1 1  17 39 o 94.6635 2.19957 50.2718      3.20444  49.4454      3.19941  90.1431     282.235     22.4099     282.235     
1 1 1 1  17 40 o 65.9212 2.44487 24.2907      2.47962  24.5277      2.46652  57.4297     231.573     6.19211     231.573     
1 1 1 1  17 41 o 29.794  3.96019 4.57695      1.75001  6.21391      1.73803  24.1491     257.564     4.56747     257.564     
1 1 1 1  17 42 o 21.5408 4.55314 3.17527      1.63719  2.60972      1.62577  1.27641     302.423     29.3467     122.423     
1 1 1 1  17 43 o 55.421  2.72286 17.8757      2.30022  17.2573      2.31734  50.0883     136.073     10.6251     136.073     
1 1 1 1  17 44 o 17.5044 4.64606 0.382919     1.7995   2.6379       1.79217  6.15376     297.595     7.78609     117.595     
1 1 1 1  17 45 o 43.4073 3.51191 9.82646      2.21764  13.0676      2.36778  41.3988     321.536     14.0678     321.536     
1 1 1 1  17 46 o 18.299  4.60295 3.16029      1.71267  0.672961     1.82379  8.08721     315.121     9.39399     135.121     
1 1 1 1  17 47 o 14.7139 4.55701 0.222403     1.93128  0.527308     2.00935  1.76073     102.791     0.108591    282.791     
1 1 1 1  17 48 o 50.4669 3.03299 15.7712      2.33826  14.8421      2.32936  44.3881     264.788     8.03958     264.788     
1 1 1 1  17 49 o 13.3813 4.18186 0.735309     1.71331  -0.489359    1.72293  3.39361     265.948     8.79324     85.9475     
1 1 1 1  17 50 o 13.3138 4.17559 0.875104     1.73894  -0.668201    1.73847  5.35392     143.97      2.44686     323.97      
1 1 1 1  17 51 o 45.0436 3.55356 12.7782      2.43545  13.3543      2.4075   40.7968     63.6277     10.2221     63.6277     
1 1 1 1  17 52 o 15.7184 4.67708 1.48349      1.95647  1.30637      1.89286  6.54389     63.7558     1.00346     63.7558     
1 1 1 1  17 53 o 16.5814 4.90844 2.10128      2.20311  1.53734      2.00074  7.57302     104.755     4.28052     284.755     
1 1 1 1  17 54 o 20.2958 5.40637 3.10782      2.29845  3.99422      2.32483  9.0067      34.2947     7.20005     214.295     
1 1 1 1  17 55 o 13.2355 4.34592 0.343376     1.89446  -0.82945     2.44842  0.309806    169.31      0.738886    349.31      
1 1 1 1  17 56 f 22.1471 5.30663 3.59351      2.38805  5.69274      2.16147  12.8592     76.7981     0           0           
1 1 1 1  17 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  18 0  o 81.7804 1.96242 36.5628      2.46487  36.5628      2.46487  46.6301     270         48.3208     90          
1 1 1 1  18 1  o 199.745 1.92189 215.753      6.10048  219.273      5.71259  164.965     277.59      11.5105     97.5899     
1 1 1 1  18 2  o 80.1223 1.95043 36.3151      2.40488  33.7879      2.39864  58.9833     139.671     1.51422     139.671     
1 1 1 1  18 3  o 38.3598 2.54171 8.00806      1.48355  8.19266      1.48408  14.8111     305.749     70.9778     305.749     
1 1 1 1  18 4  o 245.783 1.97687 328.853      7.48053  329.873      7.48354  208.637     182.639     5.7492      2.63863     
1 1 1 1  18 5  o 132.523 2.03995 94.3927      3.8649   97.1461      4.44818  131.918     212.129     46.4304     212.129     
1 1 1 1  18 6  o 191.264 2.06588 196.087      5.8491   202.909      6.3176   153.459     266.653     19.979      86.6528     
1 1 1 1  18 7  o 53.1828 2.3496  17.4872      1.90649  13.6167      1.89958  20.9944     163.934     7.67209     343.934     
1 1 1 1  18 8  o 32.3638 3.08981 4.5432       1.53469  7.27121      1.33247  7.83604     342.157     37.621      342.157     
1 1 1 1  18 9  o 72.6833 2.17577 28.5654      2.42898  29.1696      2.43025  58.3571     330.839     14.2779     330.839     
1 1 1 1  18 10 o 49.8313 2.32777 14.5095      1.77175  12.7341      1.77432  10.9573     92.07       47.9502     272.07      
1 1 1 1  18 11 o 194.71  1.99686 210.901      6.24009  202.626      5.73194  201.179     274.832     70.5616     274.832     
1 1 1 1  18 12 o 116.643 1.92962 70.1654      3.3631   78.3209      3.56916  94.1168     247.841     5.65282     67.8409     
1 1 1 1  18 13 f 22.4991 3.5844  4.23518      1.31204  1.6557       1.18498  22.5579     194.697     0           0           
1 1 1 1  18 14 o 233.275 2.14303 291.633      7.60184  302.124      7.79487  214.894     236.178     29.8938     236.178     
1 1 1 1  18 15 o 51.2493 2.43573 13.9917      1.74848  14.8188      2.0678   21.1388     159.831     25.1111     339.831     
1 1 1 1  18 16 o 180.328 2.11    178.115      5.64587  176.725      6.06323  200.97      128.92      98.0593     128.92      
1 1 1 1  18 17 o 214.793 2.43534 257.072      8.86719  246.861      7.18578  196.445     128.091     26.0992     128.092     
1 1 1 1  18 18 o 51.8147 2.43346 15.5339      2.07752  13.9418      1.78411  24.6132     136.016     23.8581     316.016     
1 1 1 1  18 19 o 67.9139 2.29061 22.1567      2.36255  28.5336      2.38815  50.5137     190.206     4.09887     10.2062     
1 1 1 1  18 20 o 134.668 1.89809 93.0024      3.92895  105.112      3.93244  124.056     275.672     21.2672     275.672     
1 1 1 1  18 21 o 47.9136 2.36653 12.4352      1.73805  12.7835      1.73175  32.9178     195.258     0.696309    195.258     
1 1 1 1  18 22 f 162.554 2.07066 149.393      5.59024  139.389      4.76702  122.513     89.3141     0           0           
1 1 1 1  18 23 o 81.5524 2.16755 37.7574      2.81853  35.0891      2.61678  69.2052     147.524     6.45684     147.523     
1 1 1 1  18 24 o 137.98  2.12926 105.263      4.19564  102.986      4.82311  124.056     1.25097     16.1786     1.25097     
1 1 1 1  18 25 o 70.3729 2.44196 26.883       2.52908  27.5335      2.745    61.4549     290.802     11.9935     290.802     
1 1 1 1  18 26 o 16.0789 3.88996 -0.821448    1.42021  2.44403      1.34844  11.5308     326.644     32.1501     326.644     
1 1 1 1  18 27 o 51.4747 2.63945 16.3048      2.12761  13.0706      2.01872  20.7853     265.579     40.4904     85.5785     
1 1 1 1  18 28 o 91.7068 2.14274 46.6721      2.92245  45.6894      3.11551  71.1549     101.178     10.4127     281.178     
1 1 1 1  18 29 o 36.0882 3.49928 6.83736      1.87738  7.93874      1.90143  25.5957     235.591     0.18762     235.592     
1 1 1 1  18 30 o 10.1358 3.24687 -1.91737     1.12774  0.0625382    1.17226  0.453348    63.5785     1.23166     63.5785     
1 1 1 1  18 31 o 26.4075 3.90453 3.97929      1.53345  4.15901      1.53982  11.6944     29.7294     13.9368     209.729     
1 1 1 1  18 32 o 23.2018 4.15757 3.11696      1.48432  3.23711      1.48999  3.06123     25.4687     27.0372     205.469     
1 1 1 1  18 33 o 43.3712 2.83307 9.66269      1.88732  11.4985      1.83519  22.996      155.162     23.9334     335.162     
1 1 1 1  18 34 o 61.5877 2.47265 21.6076      2.43953  20.632       2.23021  57.3699     32.4552     14.3026     32.4552     
1 1 1 1  18 35 o 50.5809 2.99145 14.4005      2.3164   14.4814      2.30086  46.4791     236.183     11.9115     236.183     
1 1 1 1  18 36 o 41.8267 3.18201 9.8946       1.85951  10.0628      2.16244  25.6938     198.565     16.0792     18.5648     
1 1 1 1  18 37 o 50.2621 2.84436 14.6418      2.07625  13.9373      2.27711  44.0896     26.4019     6.29813     26.4019     
1 1 1 1  18 38 o 19.536  4.72816 2.05111      1.70381  2.35724      1.7225   6.13017     139.335     15.2227     319.335     
1 1 1 1  18 39 o 18.506  4.1428  -0.519741    1.70284  3.57116      1.54181  6.95599     155.334     8.8052      335.334     
1 1 1 1  18 40 o 88.4033 2.34324 44.6284      3.28481  43.1782      3.08296  83.5498     78.6035     21.7612     78.6035     
1 1 1 1  18 41 o 24.9785 4.41325 4.06655      1.69247  3.75715      1.6942   8.27588     197.184     20.6725     17.184      
1 1 1 1  18 42 o 55.8058 2.90862 17.1341      2.47636  18.8408      2.48277  57.2917     37.1951     25.434      37.195      
1 1 1 1  18 43 o 54.5382 3.12963 18.5481      2.61206  16.4401      2.59181  49.2931     101.358     10.9596     101.358     
1 1 1 1  18 44 o 31.572  4.41969 6.1458       2.01128  6.78222      2.135    19.666      328.244     9.74352     148.244     
1 1 1 1  18 45 o 53.8819 2.97386 15.1922      2.34275  19.3152      2.54475  47.8874     341.034     8.83188     341.034     
1 1 1 1  18 46 o 34.9021 4.61158 8.53431      2.40479  7.78231      2.36915  26.072      10.3378     2.21607     190.338     
1 1 1 1  18 47 o 22.1383 4.53074 1.43358      1.81705  5.27448      1.83917  16.5914     350.231     7.32988     350.231     
1 1 1 1  18 48 o 32.9194 4.17078 7.3022       2.06004  7.16595      2.01317  26.2661     191.349     1.3873      191.349     
1 1 1 1  18 49 f 13.623  4.247   0.303403     1.74162  0.42442      1.73341  6.53565     43.8601     0           0           
1 1 1 1  18 50 o 16.2317 4.68831 1.42235      1.88542  1.77805      1.83331  7.13909     139.712     6.41277     319.712     
1 1 1 1  18 51 o 14.9767 4.54226 1.4211       1.89288  0.694802     1.87475  6.36183     182.567     1.24865     2.56716     
1 1 1 1  18 52 o 13.5465 4.31147 0.622099     1.90919  -0.0221356   1.87627  2.37044     106.951     1.89334     286.951     
1 1 1 1  18 53 o 17.1348 4.88951 2.75859      2.0354   1.43092      1.99915  5.1833      73.5615     4.81808     253.561     
1 1 1 1  18 54 o 16.215  4.89347 2.19251      2.27946  1.48297      2.03135  5.13279     282.954     3.12805     102.954     
1 1 1 1  18 55 o 14.6579 4.61684 -0.294186    1.99009  2.48475      2.29016  0.801955    30.8228     0.0879499   30.8227     
1 1 1 1  18 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  19 0  o 21.0704 4.22161 2.93714      1.1862   2.93714      1.1862   24.848      90          64.1931     90          
1 1 1 1  19 1  o 174.531 1.87831 161.851      5.04187  170.363      5.05209  171.353     60.7848     47.8157     60.7848     
1 1 1 1  19 2  o 102.375 2.06995 55.5302      3.25722  58.9102      3.26042  69.6631     108.212     28.8702     288.212     
1 1 1 1  19 3  o 165.484 2.01278 155.332      5.12914  143.471      5.12322  164.526     29.943      50.4608     29.943      
1 1 1 1  19 4  o 80.6718 2.08135 37.5367      2.48973  33.6014      2.65464  41.9808     139.652     45.4064     319.652     
1 1 1 1  19 5  o 113.105 2.12852 68.8423      3.55785  70.8193      3.84783  108.119     207.147     32.2899     207.147     
1 1 1 1  19 6  o 252.469 2.0711  341.498      8.33904  353.844      7.74101  255.449     93.6902     79.5653     93.6902     
1 1 1 1  19 7  o 101.163 2.11325 53.8736      3.50489  57.9025      3.03422  70.1721     75.7986     25.271      255.799     
1 1 1 1  19 8  o 207.607 1.96173 236.865      6.27353  233.228      6.26919  200.232     311.632     47.6625     311.632     
1 1 1 1  19 9  o 146.413 1.94447 114.841      4.23236  118.985      4.53473  102.507     209.72      41.6963     29.7204     
1 1 1 1  19 10 o 153.49  2.00288 123.79       4.3727   133.297      5.08963  110.35      257.965     38.2626     77.9654     
1 1 1 1  19 11 o 149.194 1.87405 117.669      4.15697  125.159      4.45494  143.063     253.091     37.039      253.091     
1 1 1 1  19 12 o 221.44  2.25738 257.324      7.93681  278.151      7.42048  218.138     267.551     60.2053     267.551     
1 1 1 1  19 13 o 195.511 2.43035 210.665      8.02752  206.821      6.54329  194.055     206.782     57.3551     206.782     
1 1 1 1  19 14 o 121.839 2.06904 76.3771      3.87555  85.8196      3.87487  77.2421     203.547     49.3371     23.5467     
1 1 1 1  19 15 o 130.347 2.18806 91.0934      4.47221  94.4231      4.30585  116.911     187.879     16.3977     187.879     
1 1 1 1  19 16 o 59.5508 2.54115 21.314       2.25456  17.6783      2.35669  42.7079     162.438     3.04792     342.438     
1 1 1 1  19 17 o 115.986 2.21608 67.0475      3.87468  80.321       4.02168  101.236     172.323     9.14841     172.323     
1 1 1 1  19 18 o 101.799 2.189   60.7957      3.62069  52.6856      3.23783  70.1988     112.434     29.0349     292.434     
1 1 1 1  19 19 o 32.9938 3.39253 5.90061      1.81168  6.30508      1.50439  7.94673     162.979     15.4848     342.979     
1 1 1 1  19 20 o 145.154 2.13074 114.675      4.48426  115.662      5.02759  139.515     107.034     35.7196     107.034     
1 1 1 1  19 21 o 104.166 2.20376 57.4877      3.0904   61.3558      3.94369  102.957     152.305     35.5973     152.305     
1 1 1 1  19 22 o 180.616 1.9083  179.952      5.49178  176.67       5.11978  170.184     226.173     35.9627     226.173     
1 1 1 1  19 23 o 59.9461 2.16915 20.7004      1.99375  18.7736      1.99386  42.4669     243.318     8.46144     63.3176     
1 1 1 1  19 24 o 44.6671 2.43584 10.2415      1.65234  11.8089      1.66659  21.8396     209.765     23.4619     29.7646     
1 1 1 1  19 25 f 45.4131 2.76692 11.404       1.91092  11.4726      1.92125  52.9013     319.853     0           0           
1 1 1 1  19 26 o 39.9343 2.88133 7.2532       1.71485  10.697       1.71862  16.9988     203.249     27.1951     23.2488     
1 1 1 1  19 27 o 77.1305 2.16789 32.3156      2.48494  33.1526      2.6535   63.4307     279.526     0.213346    99.5263     
1 1 1 1  19 28 o 47.719  2.97126 13.3106      2.23519  12.1542      2.08778  31.9396     74.0945     12.8309     254.094     
1 1 1 1  19 29 o 66.5169 2.27964 23.9648      2.23601  24.9281      2.41931  63.9148     224.335     19.337      224.335     
1 1 1 1  19 30 o 41.9505 2.73358 10.0574      1.74966  9.6352       1.74183  36.309      130.205     7.79398     130.205     
1 1 1 1  19 31 o 28.0761 3.659   3.85461      1.50812  5.3611       1.52798  13.8164     130.361     13.3075     310.361     
1 1 1 1  19 32 f 24.4582 4.0891  3.69839      1.5045   3.41332      1.52803  27.4413     60.9123     0           0           
1 1 1 1  19 33 o 89.1717 2.26144 43.1435      3.09687  45.0361      3.10263  83.5064     41.065      19.8165     41.065      
1 1 1 1  19 34 o 23.0704 4.1452  3.68225      1.4927   2.70369      1.47625  12.6924     322.113     5.46161     142.113     
1 1 1 1  19 35 o 10.6223 3.44501 -1.71813     1.38093  -0.271594    1.2514   1.41329     252.417     8.18869     252.417     
1 1 1 1  19 36 o 45.6775 3.27141 13.8272      2.24747  10.2972      2.243    32.0039     336.667     9.89906     156.667     
1 1 1 1  19 37 o 33.6246 3.85593 5.33886      1.7951   8.28551      2.04278  23.0184     319.167     6.2006      139.167     
1 1 1 1  19 38 o 39.9087 3.32809 9.23059      1.88939  9.35556      2.11486  24.4922     206.118     14.3135     26.118      
1 1 1 1  19 39 o 20.6891 4.82443 2.05023      1.76454  3.18417      1.84023  5.96746     205.328     16.3898     25.3281     
1 1 1 1  19 40 f 24.5335 4.59496 3.39457      1.8775   4.25151      1.68032  8.66365     28.5133     0           0           
1 1 1 1  19 41 o 16.791  4.36021 2.54318      1.56439  -0.0435661   1.70176  4.55559     164.909     9.93096     344.909     
1 1 1 1  19 42 o 16.445  4.42501 -0.796485    1.7601   2.75193      1.76128  5.89984     230.462     4.53016     50.462      
1 1 1 1  19 43 f 14.8497 4.35222 -0.947541    1.773    1.82444      1.74391  12.4918     11.4367     0           0           
1 1 1 1  19 44 o 37.1522 3.98163 8.41473      2.02324  9.11111      2.38185  34.8984     88.6525     12.2151     88.6525     
1 1 1 1  19 45 o 25.5588 5.4299  4.99194      2.39247  4.70115      2.22545  10.3343     39.5109     17.7628     219.511     
1 1 1 1  19 46 o 14.4979 4.29029 1.68007      1.67643  -0.51839     1.71449  4.21232     259.542     7.95754     79.5415     
1 1 1 1  19 47 o 15.3298 4.49982 0.605981     1.75465  1.60464      1.77326  5.39843     185.794     1.89934     185.794     
1 1 1 1  19 48 o 18.2863 4.76306 0.642452     2.04857  3.58321      1.85678  10.0735     258.697     4.83574     78.6968     
1 1 1 1  19 49 o 17.1192 4.87197 1.99248      2.08339  1.94794      1.86067  7.5864      353.886     7.32439     173.886     
1 1 1 1  19 50 o 26.4433 4.91126 7.06574      2.08367  3.91131      2.16219  24.2203     177.458     11.8475     177.458     
1 1 1 1  19 51 o 14.1761 4.41278 0.594437     1.86126  0.851716     1.87794  3.28456     39.1861     4.46526     219.186     
1 1 1 1  19 52 o 14.7437 4.46672 -0.702958    1.90289  2.273        1.94439  1.23936     251.56      2.9665      71.5597     
1 1 1 1  19 53 o 13.838  4.42271 1.01482      1.96607  0.0201739    2.09764  2.37938     101.377     4.76251     281.377     
1 1 1 1  19 54 o 16.2819 4.83675 1.64293      2.08966  2.54565      2.04967  8.43997     68.4951     0.464958    248.495     
1 1 1 1  20 0  o 139.28  1.91087 105.826      4.09487  105.826      4.09487  165.292     90          91.84       90          
1 1 1 1  20 1  o 88.4932 2.14    40.5831      2.89946  45.0322      2.91927  59.1885     179.671     22.7155     359.671     
1 1 1 1  20 2  o 161.477 2.11043 138.179      5.428    146.415      5.04606  148.407     130.635     27.0049     130.635     
1 1 1 1  20 3  o 119.056 1.99554 71.4392      3.52132  83.4351      3.79527  111.012     299.001     28.3376     299.001     
1 1 1 1  20 4  f 173.423 2.10904 166.104      5.41472  162.116      5.83607  131.579     15.8768     0           0           
1 1 1 1  20 5  o 42.5721 3.1327  11.5881      1.88418  8.57151      2.07966  10.267      299.931     10.0828     119.931     
1 1 1 1  20 6  o 88.9399 2.35972 41.3085      3.21795  45.2345      3.22963  73.8434     45.4045     7.59057     45.4044     
1 1 1 1  20 7  o 105.76  2.21727 59.9143      3.73319  62.3081      3.46964  85.3105     182.954     1.64267     2.95357     
1 1 1 1  20 8  o 48.6971 2.60433 14.6054      1.99161  11.5462      1.87595  1.04871     52.1767     70.4234     232.177     
1 1 1 1  20 9  o 145.118 1.94875 112.954      4.47652  116.849      4.22413  128.621     312.371     15.0566     312.371     
1 1 1 1  20 10 o 150.216 1.86719 128.341      4.32443  117.96       4.30867  134.393     213.725     17.4813     213.725     
1 1 1 1  20 11 o 70.1592 2.16614 29.2207      2.33379  24.7253      2.32363  64.0274     88.7213     24.1495     88.7213     
1 1 1 1  20 12 o 197.525 2.47305 197.021      7.05368  230.138      8.00042  192.81      335.982     52.2877     335.982     
1 1 1 1  20 13 o 228.179 2.38592 260.32       7.50872  309.906      9.27097  211.396     296.265     36.3575     296.265     
1 1 1 1  20 14 o 81.3693 2.40914 37.0919      3.01952  35.4416      3.00355  44.7617     259.411     43.5559     79.4109     
1 1 1 1  20 15 o 97.5505 2.46364 46.8748      3.80161  57.6416      3.52268  81.1372     300.966     2.47564     300.966     
1 1 1 1  20 16 o 48.8912 3.42587 12.3752      2.40112  14.1926      2.69228  34.3891     82.9339     9.91819     82.9339     
1 1 1 1  20 17 f 104.129 2.5559  52.983       3.64006  66.312       4.55691  39.1818     104.357     0           0           
1 1 1 1  20 18 o 101.482 2.31734 56.6672      3.61485  56.1952      3.61825  90.9771     250.152     16.434      250.152     
1 1 1 1  20 19 o 68.7856 2.68387 25.8959      2.97053  26.188       2.68343  48.1283     238.491     12.4989     58.4905     
1 1 1 1  20 20 o 81.8206 2.32535 36.8372      2.82364  36.6492      3.02006  74.3561     283.671     17.7136     283.671     
1 1 1 1  20 21 o 39.6016 2.87582 9.02307      1.9093   8.41942      1.5372   14.9491     268.789     27.2862     88.7888     
1 1 1 1  20 22 o 36.6897 2.63573 6.92002      1.53189  8.0558       1.37808  19.1266     357.422     11.2142     177.422     
1 1 1 1  20 23 o 46.2614 2.34788 11.8036      1.58763  11.8266      1.7319   32.8039     263.172     4.28428     83.172      
1 1 1 1  20 24 o 39.7038 2.81151 9.50908      1.78946  8.09916      1.60377  28.5601     134.197     0.891848    314.197     
1 1 1 1  20 25 o 20.7969 3.84244 2.34826      1.24461  2.67974      1.24616  3.24668     6.37574     34.0161     6.37574     
1 1 1 1  20 26 o 13.1594 3.7173  0.681421     1.1456   0.33972      1.13729  2.59343     143.661     10.8615     143.661     
1 1 1 1  20 27 o 77.6504 2.556   33.3604      2.9237   33.4872      3.16723  77.6468     266.573     28.3492     266.573     
1 1 1 1  20 28 f 48.0992 2.66545 13.0848      1.82273  12.7342      2.07989  38.1035     337.801     0           0           
1 1 1 1  20 29 o 37.9954 2.92519 6.86284      1.69079  9.52948      1.61597  29.2836     65.4574     0.561449    65.4573     
1 1 1 1  20 30 o 42.8767 2.74595 9.84617      1.74745  10.8187      1.83941  39.9715     53.9478     14.1762     53.9478     
1 1 1 1  20 31 o 26.0034 3.79441 3.59271      1.47235  4.38897      1.46582  13.3233     11.203      10.0358     191.203     
1 1 1 1  20 32 o 46.9819 2.86036 11.5814      2.09718  13.3503      1.97977  42.6359     25.9881     10.8806     25.9881     
1 1 1 1  20 33 o 21.1397 4.26306 1.91122      1.48446  3.42519      1.49876  11.602      93.1961     4.91821     273.196     
1 1 1 1  20 34 o 23.0262 4.23303 2.32199      1.54665  4.13788      1.55418  7.46423     252.271     19.6877     72.2711     
1 1 1 1  20 35 o 59.2883 2.45326 18.9388      2.23628  20.596       2.21956  58.9945     13.4409     22.5815     13.4409     
1 1 1 1  20 36 o 38.1114 3.29988 9.17463      1.99026  7.78808      1.80319  24.3439     184.208     11.0846     4.20776     
1 1 1 1  20 37 o 28.8177 4.38408 5.59632      1.9197   4.72692      1.85833  13.5284     282.997     16.3925     102.997     
1 1 1 1  20 38 o 29.6426 4.34337 5.71609      1.80129  5.20494      2.02916  20.6239     113.918     2.02164     293.918     
1 1 1 1  20 39 o 34.896  3.60196 5.8922       1.82491  8.86454      1.86973  23.4369     0.420958    6.8257      180.421     
1 1 1 1  20 40 o 20.0912 4.75144 3.84879      1.87277  1.05016      1.85069  9.37526     113.681     7.19607     293.681     
1 1 1 1  20 41 f 15.6435 4.5946  1.39505      1.91229  0.447222     1.74779  24.2983     152.552     0           0           
1 1 1 1  20 42 o 15.2342 4.48234 1.47413      1.7836   0.17713      1.75164  2.39803     203.324     15.7704     23.3244     
1 1 1 1  20 43 o 23.786  4.82921 3.39338      1.79799  4.50513      1.94209  16.6734     108.18      0.31631     288.18      
1 1 1 1  20 44 o 28.7779 4.8343  3.37671      2.23534  8.54964      2.25811  26.7211     357.011     14.7133     357.011     
1 1 1 1  20 45 o 11.7924 3.84038 -0.182289    1.6182   -1.06364     1.62417  1.723       151.494     2.94599     331.494     
1 1 1 1  20 46 o 37.2088 3.92272 11.222       2.13026  7.10232      2.11492  38.3338     3.5279      19.6651     3.5279      
1 1 1 1  20 47 o 17.2216 4.40276 3.81662      1.81338  -0.851272    1.81919  8.06994     148.04      3.50143     148.04      
1 1 1 1  20 48 o 18.103  4.82572 1.65409      1.86298  3.07571      1.88101  10.6992     207.497     0.93208     27.4972     
1 1 1 1  20 49 o 13.3522 4.22786 -0.26453     1.7886   0.794185     1.81939  3.8125      105.733     2.51556     285.733     
1 1 1 1  20 50 o 15.2724 4.53297 2.33836      1.89702  -0.0737594   1.88373  3.83907     253.569     4.4037      73.5688     
1 1 1 1  20 51 o 23.2436 5.23188 5.15039      2.10267  3.99364      2.16715  13.8391     88.0923     5.17017     88.0923     
1 1 1 1  20 52 o 16.1249 4.75225 1.65221      1.96901  2.25056      1.96131  4.86657     38.464      0.511876    218.464     
1 1 1 1  20 53 o 14.9114 4.55538 2.54139      1.99969  -0.209802    2.03768  6.11044     138.519     5.8979      318.519     
1 1 1 1  21 0  o 11.5744 4.9612  0.688148     1.63668  0.688148     1.63668  29.9486     270         66.0005     270         
1 1 1 1  21 1  o 42.3684 3.08557 8.28279      1.80329  11.7376      2.16497  0.137196    118.552     62.1005     298.553     
1 1 1 1  21 2  o 209.95  1.95765 241.064      6.11532  240.08       6.53491  215.171     300.527     77.7379     300.527     
1 1 1 1  21 3  o 144.494 2.23764 113.258      4.99533  114.825      4.96189  157.054     283.661     75.3032     283.661     
1 1 1 1  21 4  o 179.33  2.34718 185.063      7.35488  166.637      5.56386  149.262     12.0783     2.50888     192.078     
1 1 1 1  21 5  o 82.6935 2.26408 33.8168      3.03711  41.1907      2.64264  66.2747     303.061     0.155955    123.06      
1 1 1 1  21 6  f 180.27  2.02957 187.824      5.64059  167.331      5.61473  153.188     326.648     0           0           
1 1 1 1  21 7  f 51.5675 2.51264 17.3486      1.87528  12.109       2.01014  36.8064     50.1406     0           0           
1 1 1 1  21 8  o 134.522 1.9866  98.9754      4.2477   98.6443      3.97873  109.862     338.538     4.02955     158.538     
1 1 1 1  21 9  o 15.5938 3.88388 1.68179      1.21705  0.555155     1.17113  21.9213     120.719     54.3711     120.719     
1 1 1 1  21 10 o 36.8499 3.18814 6.28995      1.85124  8.95258      1.56294  4.64884     255.26      62.2901     255.26      
1 1 1 1  21 11 o 126.174 2.02173 94.9105      4.24534  79.3904      3.61827  115.193     128.229     22.1806     128.229     
1 1 1 1  21 12 o 88.2625 2.13132 44.3617      2.81979  40.9457      2.95453  42.9909     92.1907     58.3575     272.191     
1 1 1 1  21 13 o 108.295 2.384   66.9454      3.79422  61.6317      4.12121  91.111      173.194     5.04774     173.194     
1 1 1 1  21 14 o 26.0462 4.00123 4.06497      1.69323  3.72768      1.42475  1.26826     156.395     16.9168     156.395     
1 1 1 1  21 15 o 79.8249 2.40467 38.8189      2.94863  31.3327      2.92564  82.6656     47.947      42.7493     47.947      
1 1 1 1  21 16 o 75.3907 2.4409  29.4839      2.81258  33.0204      2.83391  56.8998     202.716     6.35661     22.716      
1 1 1 1  21 17 o 71.9033 2.48618 28.7949      2.73869  28.0777      2.74967  58.5527     71.3492     3.32284     71.3492     
1 1 1 1  21 18 o 33.9656 3.50011 8.04273      1.7387   5.1427       1.74081  12.7062     126.638     18.0331     306.638     
1 1 1 1  21 19 o 44.4534 2.91635 9.74128      1.95166  12.3086      1.97409  35.9279     203.735     14.1922     203.735     
1 1 1 1  21 20 o 27.6418 3.97027 6.02338      1.63375  2.96886      1.63782  4.65803     326.02      48.5675     326.02      
1 1 1 1  21 21 o 19.7315 4.22476 0.469527     1.65071  3.45329      1.48955  0.310753    119.715     12.5589     299.715     
1 1 1 1  21 22 o 38.2071 3.35085 8.4563       1.98136  8.03307      1.8774   33.3854     124.607     15.8006     124.607     
1 1 1 1  21 23 o 100.487 2.79599 58.3449      4.32829  53.7328      4.30303  86.5533     162.978     7.23604     162.978     
1 1 1 1  21 24 o 15.5132 4.33407 0.70641      1.52774  0.953854     1.53586  1.42863     104.114     13.8028     104.114     
1 1 1 1  21 25 o 39.5329 3.36916 10.4529      1.70421  7.40596      2.13276  16.9198     262.452     28.3996     82.4524     
1 1 1 1  21 26 o 39.1007 3.16481 6.41718      1.70404  11.2316      1.97994  27.5956     35.1565     4.91407     215.157     
1 1 1 1  21 27 o 48.4809 2.42195 11.2901      1.73822  15.0158      1.83824  41.2018     218.44      6.09604     218.44      
1 1 1 1  21 28 o 16.0952 3.8179  0.527999     1.18981  2.08571      1.18027  1.15814     233.579     5.32132     53.5788     
1 1 1 1  21 29 o 76.0352 2.12222 35.0688      2.48626  29.0842      2.45905  62.1779     289.945     0.502873    289.945     
1 1 1 1  21 30 o 36.5926 2.94374 8.76818      1.61951  6.52684      1.60587  24.8222     94.0897     7.29497     274.09      
1 1 1 1  21 31 o 37.7534 2.96627 7.00791      1.67471  9.30812      1.68317  23.346      64.332      13.0946     244.332     
1 1 1 1  21 32 o 36.8849 3.08582 9.30489      1.70908  6.44134      1.67668  26.0112     294.076     6.00178     114.076     
1 1 1 1  21 33 o 8.868   2.99245 -1.56166     1.14283  -1.25279     1.13863  4.16185     74.233      12.9505     74.233      
1 1 1 1  21 34 o 55.2396 2.68059 16.5017      2.26554  18.1546      2.26249  45.4216     99.8056     2.65791     99.8056     
1 1 1 1  21 35 o 31.4355 3.71097 5.78564      1.7328   6.03679      1.73284  21.6937     6.7681      3.51216     186.768     
1 1 1 1  21 36 o 11.9901 3.74805 0.020351     1.38532  -0.471818    1.3458   1.50149     270.946     9.55884     270.946     
1 1 1 1  21 37 f 36.2333 3.62352 9.77162      2.05586  6.16329      1.83173  36.0866     293.706     0           0           
1 1 1 1  21 38 o 37.7743 4.07969 7.82082      2.37011  9.9022       2.15378  23.9024     41.1968     10.7999     221.197     
1 1 1 1  21 39 o 16.4271 4.39997 2.47389      1.58575  -0.419922    1.86193  4.1423      24.2952     12.164      204.295     
1 1 1 1  21 40 o 41.0904 3.741   10.3227      2.16756  10.6181      2.44679  30.207      155.787     4.10573     335.787     
1 1 1 1  21 41 o 33.5846 4.74106 8.06093      2.20294  7.13669      2.51391  26.6815     334.366     2.20083     334.366     
1 1 1 1  21 42 o 17.5676 4.72683 -0.807236    1.96332  3.62256      2.0795   6.12822     50.5853     1.24531     50.5853     
1 1 1 1  21 43 o 64.5915 3.09563 24.1412      3.04476  26.3698      3.07257  58.5469     44.9599     14.7543     44.9599     
1 1 1 1  21 44 o 30.994  4.50057 6.3642       1.98845  6.93443      2.16411  30.521      29.8015     15.2275     29.8015     
1 1 1 1  21 45 o 29.9447 4.60586 7.63817      2.13069  5.20823      2.01634  23.5898     7.7668      2.14901     7.76678     
1 1 1 1  21 46 o 13.8981 4.24053 -0.786491    1.72136  1.62875      1.75424  4.5302      52.1024     2.08789     232.102     
1 1 1 1  21 47 o 18.7796 4.90585 3.26956      1.90035  2.10611      1.90734  11.974      9.19617     3.16324     9.19618     
1 1 1 1  21 48 o 16.8494 4.69641 0.785367     1.85061  2.99795      1.89921  6.84532     258.284     6.68194     78.2842     
1 1 1 1  21 49 o 14.5419 4.49688 1.17535      1.9691   0.589144     1.85722  1.04093     168.833     1.9769      348.833     
1 1 1 1  21 50 o 15.2377 4.63588 0.606074     1.9521   1.93558      2.02052  2.41768     176.809     2.28008     356.809     
1 1 1 1  21 51 o 15.6358 4.68413 2.46257      2.00466  1.00002      1.95708  5.566       263.636     6.3388      83.6355     
1 1 1 1  21 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  22 0  o 207.089 2.40829 234.29       7.67521  234.29       7.67521  233.342     90          118.374     90          
1 1 1 1  22 1  o 108.966 2.45444 62.7626      3.54233  67.4087      4.6437   89.866      259.083     2.16387     259.083     
1 1 1 1  22 2  o 124.391 2.30426 90.9818      4.01005  78.6121      4.71258  105.857     43.7794     7.58721     43.7795     
1 1 1 1  22 3  o 69.8113 2.59975 24.5162      2.88502  29.1274      2.64049  43.2714     73.6079     23.1469     253.608     
1 1 1 1  22 4  o 65.1441 2.53551 22.7514      2.80174  23.8828      2.21254  32.2703     68.6491     37.6528     248.649     
1 1 1 1  22 5  o 104.637 2.53543 58.0173      4.58331  62.1133      3.44929  72.2734     100.703     26.2207     280.703     
1 1 1 1  22 6  o 24.442  4.27677 2.98768      1.7443   3.85879      1.48174  14.0433     227.356     53.7011     227.356     
1 1 1 1  22 7  o 14.1413 3.83363 0.45861      1.18062  1.00355      1.17742  14.0993     158.789     33.5637     158.789     
1 1 1 1  22 8  o 28.574  3.56849 3.90678      1.40462  5.42103      1.62277  6.76019     173.272     47.0915     173.272     
1 1 1 1  22 9  o 102.336 1.96136 50.9896      3.0606   63.9447      3.09045  75.024      58.7859     16.6101     238.786     
1 1 1 1  22 10 o 86.81   2.06325 40.2746      2.6471   42.2924      2.86109  60.216      133.839     19.5729     313.839     
1 1 1 1  22 11 o 10.0958 3.17151 -0.302597    0.953056 -0.403281    1.02118  18.8415     190.45      41.4648     190.45      
1 1 1 1  22 12 o 136.266 2.1949  103.014      4.58911  100.42       4.62116  102.194     338.706     20.6364     158.706     
1 1 1 1  22 13 o 66.1495 1.97971 18.4021      1.79244  30.3222      2.22134  40.5581     346.337     23.8024     166.337     
1 1 1 1  22 14 o 39.9386 2.99428 9.47561      1.72873  8.32526      1.87547  23.3593     166.305     9.96067     166.305     
1 1 1 1  22 15 o 82.2247 2.33118 36.5992      2.94522  37.7633      2.94559  68.2781     337.892     4.02063     337.892     
1 1 1 1  22 16 o 94.6073 2.27023 51.423       3.30153  47.0369      3.29867  82.6338     260.988     11.2451     260.988     
1 1 1 1  22 17 o 111.401 2.26326 67.643       3.87123  68.859       3.88567  101.743     179.003     20.7342     179.003     
1 1 1 1  22 18 o 81.6505 2.36066 36.1766      2.95657  37.3351      2.96674  79.1895     203.595     26.3811     203.595     
1 1 1 1  22 19 o 128.702 2.22207 91.7079      4.40523  90.55        4.40237  124.807     158.09      37.4399     158.09      
1 1 1 1  22 20 o 116.498 2.24868 71.0286      4.02016  78.6701      4.03274  95.4068     121.136     1.10015     301.136     
1 1 1 1  22 21 o 159.152 2.26117 142.568      5.78452  136.719      5.29602  142.32      251.031     21.7707     251.031     
1 1 1 1  22 22 o 53.508  3.12446 14.3848      2.42413  17.8761      2.67671  46.9934     26.6931     9.66954     26.6931     
1 1 1 1  22 23 o 32.7621 4.45501 6.42533      2.42909  6.2546       1.88711  19.2529     294.498     12.7963     294.498     
1 1 1 1  22 24 o 26.0656 4.3201  3.79674      1.61784  4.3117       1.79074  0.452011    144.289     39.8225     144.289     
1 1 1 1  22 25 o 63.915  3.40613 22.523       3.49965  23.8477      3.12769  48.3342     336.883     6.17258     156.883     
1 1 1 1  22 26 o 40.9687 3.22368 10.1761      1.74037  8.95185      2.17968  29.3193     318.101     4.72524     138.101     
1 1 1 1  22 27 o 31.2125 3.52505 9.3663       1.96999  2.84961      1.27704  19.1804     69.4905     8.30931     249.491     
1 1 1 1  22 28 o 41.1072 2.89436 11.4517      1.83655  7.86579      1.73923  18.8888     347.726     27.563      167.726     
1 1 1 1  22 29 o 80.8511 2.17123 32.977       2.56449  39.8505      2.83265  69.3098     88.2474     7.2618      88.2474     
1 1 1 1  22 30 o 39.0708 2.71859 8.25804      1.61067  9.08538      1.61496  30.3816     110.555     0.292917    290.554     
1 1 1 1  22 31 o 26.0678 3.76993 3.35884      1.46028  4.8484       1.46504  12.5822     99.9478     13.279      279.948     
1 1 1 1  22 32 o 32.5192 3.37115 7.538        1.62112  5.00194      1.59874  24.533      339.093     0.753249    339.093     
1 1 1 1  22 33 o 32.8397 3.39572 7.96228      1.64747  4.907        1.61     23.6722     238.727     1.64514     58.7271     
1 1 1 1  22 34 o 79.6298 2.23562 31.9732      2.7123   39.3826      2.73821  78.5294     358.868     29.8141     358.868     
1 1 1 1  22 35 o 76.8071 2.32256 33.5785      2.67868  33.0455      2.79982  76.9747     168.405     31.5567     168.405     
1 1 1 1  22 36 o 38.0037 3.34949 9.01679      1.91771  8.21046      1.91329  34.5913     0.613082    11.9752     0.613082    
1 1 1 1  22 37 f 21.6545 4.44795 4.16965      1.66536  1.94597      1.61809  19.9304     29.7416     0           0           
1 1 1 1  22 38 o 33.5948 4.05056 7.84607      2.2025   6.51943      1.84145  35.3963     8.60185     22.7964     8.60185     
1 1 1 1  22 39 o 11.934  3.93067 -1.40085     1.80155  -0.647142    1.73611  1.43834     202.107     6.71794     22.1067     
1 1 1 1  22 40 o 27.2505 4.95196 6.18524      1.97395  4.25483      2.31625  21.6304     100.261     4.70917     100.261     
1 1 1 1  22 41 o 23.1015 4.74799 5.1886       1.87416  2.33161      1.94889  13.9402     128.107     4.50945     308.107     
1 1 1 1  22 42 o 16.7229 4.94297 1.66852      1.95329  1.26427      2.33747  8.82198     168.85      1.16892     168.85      
1 1 1 1  22 43 o 21.2565 4.82631 5.53112      2.06416  0.488012     2.27261  12.8984     171.417     4.44342     351.417     
1 1 1 1  22 44 o 20.0447 4.89484 1.77348      2.10474  4.05823      1.84846  14.097      286.496     3.35162     286.496     
1 1 1 1  22 45 o 12.8007 3.99996 -2.07299     1.70094  1.43508      1.68814  2.08391     113.795     1.28972     293.795     
1 1 1 1  22 46 o 11.5193 3.81431 -0.200019    1.70727  -1.37776     1.7077   0.500418    313.199     0.830383    133.199     
1 1 1 1  22 47 o 14.9046 4.33853 -1.28168     1.81962  2.70909      1.8203   3.47653     353.365     4.88671     173.365     
1 1 1 1  22 48 o 18.4177 4.86852 4.08466      1.97317  0.610884     2.23785  5.48812     215.215     0.984067    35.2148     
1 1 1 1  22 49 o 13.9875 4.39246 0.92461      1.88828  0.697331     1.89618  2.41881     24.4716     4.22465     204.472     
1 1 1 1  22 50 o 14.0037 4.41951 0.208323     1.94545  1.50527      1.97196  4.17438     320.916     0.99077     140.916     
1 1 1 1  22 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  23 0  o 8.30015 3.90266 -0.378242    1.33587  -0.378242    1.33587  3.63295     270         7.78305     270         
1 1 1 1  23 1  o 74.0215 3.06506 32.1151      3.51321  28.525       3.43805  36.4045     95.7541     45.6605     275.754     
1 1 1 1  23 2  o 31.0033 4.1207  6.1327       1.88357  4.9194       1.89966  8.35367     283.796     7.82749     103.796     
1 1 1 1  23 3  o 169.544 2.12584 154.382      5.33438  160.52       5.7642   138.674     210.076     2.20057     30.0756     
1 1 1 1  23 4  o 36.4109 3.29213 5.43363      1.6685   9.75461      1.85593  10.837      270.487     28.321      90.4871     
1 1 1 1  23 5  o 102     2.06331 61.5622      3.12049  52.6528      3.32016  76.4919     254.275     12.6893     74.2755     
1 1 1 1  23 6  o 49.3093 2.51009 13.1439      1.83854  13.7048      1.94788  37.9309     302.449     5.48265     302.449     
1 1 1 1  23 7  o 115.329 2.10424 76.509       3.45316  69.3999      3.96574  98.4339     330.599     8.84672     330.599     
1 1 1 1  23 8  o 65.11   2.24637 24.4163      2.16745  22.2318      2.31013  51.1367     16.5327     0.489587    16.533      
1 1 1 1  23 9  o 26.5066 3.52847 3.95816      1.43094  4.08401      1.34222  0.761459    46.5501     31.2818     226.55      
1 1 1 1  23 10 f 191.768 2.20164 168.649      6.1341   237.954      6.82489  138.284     296.699     0           0           
1 1 1 1  23 11 f 43.2771 2.47621 9.57648      1.67104  11.1969      1.58346  9.90682     65.4041     0           0           
1 1 1 1  23 12 o 51.0123 2.49434 14.3879      2.08581  14.4047      1.79656  44.5875     174.639     12.3599     174.639     
1 1 1 1  23 13 o 50.4645 2.65375 14.0176      1.95244  14.242       2.13915  20.1436     39.6349     39.6599     219.635     
1 1 1 1  23 14 o 132.136 2.19445 91.1495      4.45231  100.982      4.46991  111.79      199.871     6.63894     199.871     
1 1 1 1  23 15 o 54.0295 2.68022 16.3054      2.21341  16.1332      2.21808  48.333      241.029     12.1114     241.029     
1 1 1 1  23 16 o 26.316  3.97414 5.3908       1.56952  2.80935      1.58082  13.8574     142.036     4.9954      322.036     
1 1 1 1  23 17 o 12.265  3.66461 -0.725956    1.21472  0.656692     1.25277  4.59277     254.49      15.6037     254.49      
1 1 1 1  23 18 o 74.1215 2.56531 33.2615      3.088    27.8323      2.75309  56.9879     176.371     5.69361     356.371     
1 1 1 1  23 19 o 77.6696 2.35188 29.234       2.77275  37.8314      2.8077   46.7412     24.0502     32.4932     204.05      
1 1 1 1  23 20 o 53.2747 2.8825  15.1441      2.3446   16.6943      2.34403  37.8429     140.136     8.64358     320.136     
1 1 1 1  23 21 o 17.7774 4.38497 2.3674       1.48496  0.717639     1.61393  1.33876     181.759     23.5911     181.759     
1 1 1 1  23 22 o 48.0408 3.04018 12.1551      2.21433  13.9407      2.22771  46.7114     55.0233     20.1125     55.0233     
1 1 1 1  23 23 o 40.346  3.28264 9.59867      1.90881  8.98355      2.0807   19.3095     60.8786     24.28       240.879     
1 1 1 1  23 24 o 34.0088 4.27553 5.37505      2.11729  8.50325      2.15529  12.654      180.209     27.0516     0.208965    
1 1 1 1  23 25 o 119.316 2.37428 83.2936      4.15801  75.2344      4.52111  109.199     99.1371     24.6007     99.1371     
1 1 1 1  23 26 f 21.0888 4.45134 3.08242      1.55795  2.24162      1.57985  3.34338     173.545     0           0           
1 1 1 1  23 27 o 46.1525 2.98759 11.8293      2.0927   12.4639      2.10583  35.6189     264.336     1.62361     84.3363     
1 1 1 1  23 28 o 55.3505 2.92502 17.3221      2.36036  17.584       2.58518  41.9692     239.8       4.02998     59.7999     
1 1 1 1  23 29 o 50.6428 2.65193 13.484       1.8554   15.6462      2.25237  33.4359     148.032     13.1498     328.032     
1 1 1 1  23 30 o 18.1415 4.41588 1.95905      1.67748  1.84079      1.31784  5.97654     45.0034     4.00695     225.003     
1 1 1 1  23 31 o 67.7178 2.45961 24.6638      2.57318  27.1286      2.53202  64.335      95.22       21.5797     95.22       
1 1 1 1  23 32 o 39.187  3.06758 8.38253      1.71106  9.4839       1.93079  33.4618     216.746     7.9971      216.746     
1 1 1 1  23 33 f 81.474  2.18165 33.8759      2.70984  40.9823      2.73708  41.1343     77.7001     0           0           
1 1 1 1  23 34 o 42.3505 2.89915 11.33        1.8552   9.61871      1.86514  37.3398     244.76      9.93008     244.76      
1 1 1 1  23 35 o 38.8467 3.18445 10.5641      1.8477   7.52577      1.83539  28.0679     136.998     3.65155     316.998     
1 1 1 1  23 36 o 13.4903 3.98721 1.00526      1.39952  -0.0510011   1.42497  2.48946     116.134     9.28678     296.134     
1 1 1 1  23 37 o 38.6583 3.37999 8.36592      1.94017  9.89155      1.98785  27.6344     342.126     4.4822      162.126     
1 1 1 1  23 38 o 21.3632 4.80255 3.63132      1.81667  2.70094      1.76013  12.2668     218.076     4.15389     38.0759     
1 1 1 1  23 39 o 17.5579 4.79897 2.11939      1.997    1.74447      1.68745  4.77103     306.423     13.4601     126.423     
1 1 1 1  23 40 o 15.7202 4.59194 2.24651      1.87653  -0.425659    1.99038  7.04226     267.79      3.58871     87.7901     
1 1 1 1  23 41 o 19.3603 5.17395 0.936912     1.96814  4.51077      2.45093  13.7914     48.9427     4.71379     48.9427     
1 1 1 1  23 42 o 11.7518 3.87857 -0.890517    1.61114  -0.56836     1.83289  1.29368     236.017     1.51039     56.0168     
1 1 1 1  23 43 o 11.2431 3.72923 -1.12363     1.63588  -0.594946    1.63295  0.746218    112.417     13.5261     112.417     
1 1 1 1  23 44 o 15.7593 4.71976 1.67197      1.85604  1.10184      2.14795  4.26254     64.9144     0.869304    64.9144     
1 1 1 1  23 45 o 13.984  4.44588 1.1533       2.016    -0.511593    2.0612   2.93876     305.028     4.84267     125.028     
1 1 1 1  23 46 f 30.0206 5.06082 5.16447      2.79278  9.30943      2.15697  15.2349     48.7744     0           0           
1 1 1 1  23 47 o 23.3489 5.16407 4.49449      2.06911  4.73895      2.05695  14.6226     98.1458     0.29451     98.1458     
1 1 1 1  23 48 o 13.0479 4.24268 0.975686     1.88875  -0.966135    2.15727  1.41199     34.7181     10.6032     214.718     
1 1 1 1  23 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  24 0  f 195.536 2.20979 209.291      6.64995  209.291      6.64995  103.62      270         0           0           
1 1 1 1  24 1  o 27.444  4.21353 4.90016      1.82693  3.90892      1.63676  2.93324     338.62      31.9991     158.62      
1 1 1 1  24 2  o 102.924 2.36789 56.6219      4.03173  60.1133      3.41545  91.6312     340.127     16.6829     340.127     
1 1 1 1  24 3  o 64.6072 2.7468  20.5013      2.7938   25.9274      2.58462  27.1931     32.9928     49.152      212.993     
1 1 1 1  24 4  o 105.473 2.12009 62.0592      3.44173  60.2519      3.43754  89.8963     15.4007     8.69351     15.4007     
1 1 1 1  24 5  o 30.9035 3.59865 4.79923      1.58661  6.16902      1.71517  11.8666     142.286     20.2094     322.286     
1 1 1 1  24 6  o 85.4685 2.2218  40.3512      2.69077  40.1028      3.12872  93.13       323.193     50.046      323.193     
1 1 1 1  24 7  o 103.935 1.95587 60.0847      3.12838  58.5791      3.12637  85.3509     90.1385     1.84246     90.1385     
1 1 1 1  24 8  o 102.8   1.94105 61.4723      3.07347  54.7234      3.05927  80.046      105.478     6.99944     285.478     
1 1 1 1  24 9  o 16.7018 3.9093  2.05271      1.21399  0.866045     1.20398  0.728455    63.0253     14.8185     63.0253     
1 1 1 1  24 10 o 35.3326 2.92734 6.54276      1.60453  7.5156       1.50151  16.7704     19.3734     19.7095     199.373     
1 1 1 1  24 11 o 9.42444 2.99871 0.131002     0.941293 -1.89822     1.05262  9.92495     289.424     25.0192     289.424     
1 1 1 1  24 12 o 73.1393 2.14716 34.3134      2.52188  25.0599      2.28967  63.8321     17.5601     10.7362     17.5601     
1 1 1 1  24 13 o 14.8828 4.04046 1.59535      1.37259  -0.236943    1.39782  4.7865      182.861     23.3024     182.861     
1 1 1 1  24 14 o 12.6445 3.83651 -0.243862    1.27994  0.241132     1.40297  7.9663      131.274     26.5132     131.274     
1 1 1 1  24 15 o 26.5651 4.37339 2.82549      1.95551  5.55218      1.64979  10.701      237.135     4.419       237.135     
1 1 1 1  24 16 o 88.0593 2.44131 43.0123      3.44886  43.0419      3.15181  71.2181     329.86      0.585531    329.861     
1 1 1 1  24 17 o 34.966  3.54232 6.37334      1.89319  7.73193      1.78047  21.6616     43.7496     8.6279      223.75      
1 1 1 1  24 18 o 49.9353 2.81337 14.2165      2.22412  13.7913      2.06562  34.2417     171.64      9.71548     351.64      
1 1 1 1  24 19 o 55.0878 2.84571 16.5975      2.38733  17.5072      2.4064   49.0804     277.282     12.1592     277.282     
1 1 1 1  24 20 o 35.1615 3.72945 6.64576      1.87989  7.74865      2.03444  0.25938     143.994     55.3416     143.995     
1 1 1 1  24 21 o 67.0168 2.6138  25.6449      2.6765   24.6201      2.696    57.4694     73.8793     8.26158     73.8793     
1 1 1 1  24 22 o 32.6114 3.79789 6.93216      1.81941  5.58773      1.84502  24.6601     155.201     0.832699    155.201     
1 1 1 1  24 23 o 19.3928 4.55094 2.98058      1.67632  1.25654      1.60374  10.494      276.465     0.071799    276.465     
1 1 1 1  24 24 o 36.5031 3.45591 7.82634      1.79563  7.68178      1.98255  19.6391     245.401     17.3973     65.4011     
1 1 1 1  24 25 o 95.9229 2.25202 49.7555      3.30947  53.0162      3.33232  80.4939     346.91      7.12929     346.91      
1 1 1 1  24 26 f 33.9615 3.53561 6.59086      1.76456  7.00198      1.82296  12.3573     28.8542     0           0           
1 1 1 1  24 27 o 40.9055 3.20629 9.94714      1.98526  9.49008      1.98509  34.6705     28.5905     7.44701     28.5905     
1 1 1 1  24 28 o 23.4002 4.34771 1.27376      1.8451   5.37296      1.72245  12.6681     197.854     4.82035     197.854     
1 1 1 1  24 29 o 47.7443 3.04404 11.7669      2.19411  14.6411      2.21062  42.6676     23.8783     12.2562     23.8783     
1 1 1 1  24 30 o 50.7468 2.95888 13.9049      2.27861  15.904       2.29641  50.8081     167.437     24.1629     167.437     
1 1 1 1  24 31 o 16.4135 4.47799 1.96277      1.64552  0.57853      1.6451   2.88881     106.843     1.78479     286.843     
1 1 1 1  24 32 o 17.6165 4.65842 1.24464      1.70087  2.25079      1.74128  5.12909     64.6645     0.417183    244.665     
1 1 1 1  24 33 o 26.7701 3.84989 6.45523      1.47854  2.77188      1.60522  18.5631     143.153     1.3704      323.153     
1 1 1 1  24 34 o 13.8913 4.02159 1.34965      1.53005  0.108075     1.23684  3.96107     280.467     5.32156     100.467     
1 1 1 1  24 35 o 22.063  4.60381 3.61772      1.51784  2.93456      1.89407  10.9199     144.914     9.41444     324.914     
1 1 1 1  24 36 o 11.1246 3.49936 -1.64927     1.29682  0.60273      1.28109  0.110558    358.499     2.44617     178.499     
1 1 1 1  24 37 o 12.903  3.98956 0.420072     1.48896  -0.0137887   1.52975  1.08864     131.257     10.3878     311.257     
1 1 1 1  24 38 o 17.196  4.57841 1.19277      1.67076  2.5283       1.70089  6.36841     357.545     10.1118     177.545     
1 1 1 1  24 39 o 21.7123 5.14978 2.44955      1.74358  4.92438      2.35297  11.7433     287.933     7.44245     107.933     
1 1 1 1  24 40 o 15.2577 4.5723  1.30767      1.90554  0.903103     1.81756  3.84632     87.4548     11.915      267.455     
1 1 1 1  24 41 o 25.0688 4.91969 3.20566      2.17154  6.4852       2.04042  17.1043     94.6945     1.26887     274.694     
1 1 1 1  24 42 o 25.5039 4.98851 2.31651      2.15986  8.31875      2.42502  18.359      127.13      0.858011    127.13      
1 1 1 1  24 43 o 20.6718 5.09851 3.22945      1.85684  3.78251      2.13122  13.1736     159.432     2.20844     159.432     
1 1 1 1  24 44 o 16.8632 4.76674 2.44008      1.89593  1.56114      1.8758   4.7761      83.886      5.71491     263.886     
1 1 1 1  24 45 o 27.9984 4.90763 4.93383      2.13252  7.49383      2.15509  20.4419     130.199     3.84583     130.199     
1 1 1 1  24 46 o 18.6441 5.12013 3.70893      2.02082  2.44251      2.34414  8.98621     90.1593     3.05815     270.159     
1 1 1 1  24 47 o 13.8367 4.47725 -0.356467    2.1388   1.37936      2.19188  4.33277     56.1013     6.41688     236.101     
1 1 1 1  25 0  o 103.873 2.82513 59.6006      4.50366  59.6006      4.50366  93.8354     90          18.4514     90          
1 1 1 1  25 1  o 41.8997 3.33928 9.73475      2.40132  10.1497      1.74468  24.3577     220.327     15.3376     40.3272     
1 1 1 1  25 2  o 46.4021 2.82389 12.7292      2.1698   11.3829      1.82558  35.0236     70.1399     0.974598    250.14      
1 1 1 1  25 3  o 26.0145 4.38996 4.84217      1.75387  3.2113       1.74473  8.72178     55.8475     17.9883     235.847     
1 1 1 1  25 4  o 14.86   4.16502 0.497933     1.42557  0.967611     1.42146  2.29826     159.485     14.5525     159.485     
1 1 1 1  25 5  o 138.524 2.01498 105.656      4.43634  105.556      4.15538  128.007     287.508     32.1273     287.508     
1 1 1 1  25 6  o 18.3216 3.96323 0.570334     1.36154  2.97468      1.33236  5.86142     262.517     35.1785     262.517     
1 1 1 1  25 7  o 30.9538 3.60556 4.98007      1.75047  6.09906      1.52683  22.6631     229.569     5.94582     229.569     
1 1 1 1  25 8  o 21.0786 3.85269 0.584918     1.54595  4.29538      1.36306  6.46517     349.265     3.9621      169.265     
1 1 1 1  25 9  o 108.775 2.01898 59.1005      3.45048  71.6124      3.26362  98.5793     108.942     22.3279     108.942     
1 1 1 1  25 10 o 21.3728 3.93645 1.50755      1.36995  3.86877      1.38683  2.87191     135.549     35.2355     135.549     
1 1 1 1  25 11 f 52.6511 2.87247 19.05        2.22287  12.4152      2.29024  47.677      18.207      0           0           
1 1 1 1  25 12 o 50.0279 2.57582 11.2126      1.73733  17.0626      2.20925  35.4239     117.031     6.87914     297.031     
1 1 1 1  25 13 f 19.0897 4.41568 2.3496       1.49734  1.76628      1.50866  21.7714     211.579     0           0           
1 1 1 1  25 14 o 10.0895 3.29296 -1.57461     1.21801  -0.411518    1.21152  10.0645     88.5924     27.6568     88.5924     
1 1 1 1  25 15 o 12.7177 3.82913 0.32476      1.3131   -0.144857    1.3299   2.81964     217.971     13.3516     217.971     
1 1 1 1  25 16 o 33.7057 3.54926 7.00028      1.78332  6.17322      1.7825   24.8796     336.951     0.569865    336.951     
1 1 1 1  25 17 o 57.2898 2.75449 19.1115      2.30051  17.798       2.51369  39.5746     159.158     11.2526     339.158     
1 1 1 1  25 18 o 43.6499 3.44364 12.1682      2.13913  9.81483      2.34732  20.7766     185.608     26.7865     5.6083      
1 1 1 1  25 19 o 44.3238 3.63632 13.5296      2.10308  9.40758      2.54894  24.7471     159.536     19.9905     339.536     
1 1 1 1  25 20 o 71.1056 2.68063 29.8205      2.77061  27.1449      3.05044  56.3412     43.8022     0.308795    223.804     
1 1 1 1  25 21 o 21.4906 4.68336 2.66454      1.7041   2.97197      1.70496  8.31563     222.508     12.6943     42.5083     
1 1 1 1  25 22 o 15.1173 4.19573 0.664643     1.46703  1.16858      1.4025   0.60174     242.761     18.5612     242.761     
1 1 1 1  25 23 o 12.7101 3.80183 -0.360921    1.25804  0.695737     1.35063  0.168952    64.8063     3.43035     64.8062     
1 1 1 1  25 24 o 62.8178 2.54348 20.5652      2.50409  24.1296      2.36816  49.362      70.5635     0.266403    70.5633     
1 1 1 1  25 25 o 36.4669 3.44585 8.92029      1.91931  6.80493      1.83242  26.532      326.664     1.18518     146.664     
1 1 1 1  25 26 o 40.4342 3.41335 11.8611      2.23929  7.58855      1.9018   31.1198     44.3707     1.47754     44.3706     
1 1 1 1  25 27 o 13.8539 4.0268  0.927058     1.37594  0.152941     1.41722  0.196581    146.926     11.2595     146.926     
1 1 1 1  25 28 o 24.3604 4.38083 4.16165      1.64273  3.41908      1.6619   15.2164     17.9176     1.26444     197.918     
1 1 1 1  25 29 o 33.4064 3.79948 6.46513      1.86932  7.25674      1.9042   14.1257     272.662     22.2022     92.6619     
1 1 1 1  25 30 o 33.2618 4.26149 10.9138      2.30121  3.93542      1.8786   22.1428     152.086     5.2558      332.086     
1 1 1 1  25 31 o 14.9908 4.38958 1.21365      1.71062  0.466883     1.61559  0.787268    335.741     17.433      155.741     
1 1 1 1  25 32 o 24.7538 4.71846 4.1033       1.83456  4.26498      1.84418  20.9385     255.302     9.72876     255.302     
1 1 1 1  25 33 o 25.5483 4.75748 3.91195      1.88843  5.10969      1.92871  17.3077     277.719     1.34191     97.7191     
1 1 1 1  25 34 o 19.3733 4.71481 3.75606      1.83201  1.07123      1.83861  8.11264     255.806     8.75323     75.8063     
1 1 1 1  25 35 o 30.1468 4.87301 7.26122      2.27275  5.60843      2.16604  26.1487     331.757     9.81422     331.757     
1 1 1 1  25 36 o 20.1736 4.99191 2.75846      1.58014  3.20632      2.2876   12.4811     108.541     1.78454     288.541     
1 1 1 1  25 37 o 28.3479 4.35774 6.77171      2.01011  4.46304      1.7038   18.5969     37.3329     4.71303     217.333     
1 1 1 1  25 38 o 14.2599 4.21179 -1.19216     1.44805  2.43889      1.8756   0.63622     44.924      0.0528224   44.9241     
1 1 1 1  25 39 o 19.6642 4.60943 1.38088      1.83548  4.12689      1.73341  6.86759     0.728837    13.527      180.729     
1 1 1 1  25 40 o 12.5353 3.93672 -1.36262     1.5644   1.19148      1.63303  1.93146     234.218     8.71878     54.2181     
1 1 1 1  25 41 o 16.3408 4.60159 2.25429      1.76719  1.32483      1.74142  5.54885     206.883     0.173129    206.883     
1 1 1 1  25 42 o 37.5473 3.92413 7.82914      2.16158  11.4507      2.14044  30.2335     204.448     6.2627      204.448     
1 1 1 1  25 43 o 56.0481 3.22009 19.1063      2.87251  21.0924      2.59442  58.1452     242.123     33.6208     242.123     
1 1 1 1  25 44 o 14.9405 4.81491 1.36161      2.17866  0.379263     2.83025  2.70972     255.345     2.10654     75.3448     
1 1 1 1  25 45 o 13.7982 4.57404 0.0954469    2.17765  0.467584     2.70305  3.94719     354.928     5.64093     174.928     
1 1 1 1  25 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  26 0  o 11.7642 4.93826 0.905175     1.55619  0.905175     1.55619  2.58775     270         9.42852     270         
1 1 1 1  26 1  o 56.0738 2.9265  16.5387      2.60088  18.8621      2.3861   47.7739     168.1       8.914       168.1       
1 1 1 1  26 2  o 116.07  2.2231  75.2995      4.10214  73.8753      3.83502  100.132     0.0343968   14.9791     0.0343968   
1 1 1 1  26 3  o 31.2497 3.74202 6.68372      1.7712   4.77326      1.68519  21.5723     22.699      0.096667    22.6985     
1 1 1 1  26 4  o 27.0788 4.21127 5.02751      1.7131   3.73997      1.71168  11.8873     209.069     13.6541     29.0694     
1 1 1 1  26 5  o 27.0548 4.15749 3.0897       1.52668  5.79615      1.87417  14.0801     91.6072     8.28807     271.607     
1 1 1 1  26 6  o 39.2079 3.00269 8.17257      1.81603  9.27132      1.73722  29.8405     336.319     1.62799     336.319     
1 1 1 1  26 7  o 12.3565 3.71126 -0.632124    1.26223  0.606965     1.27171  10.8695     29.6397     34.739      29.6397     
1 1 1 1  26 8  o 96.2671 2.07916 55.0176      3.2094   47.6338      2.94895  78.2711     63.0506     3.46542     63.0505     
1 1 1 1  26 9  f 77.1402 2.19162 32.035       2.49074  33.9753      2.70549  74.2117     126.223     0           0           
1 1 1 1  26 10 o 31.4818 3.22921 6.15377      1.50731  5.26307      1.52223  6.96644     65.3521     33.702      245.352     
1 1 1 1  26 11 o 17.1571 3.99402 2.24179      1.26887  0.965291     1.26042  0.288715    105.999     20.8048     285.999     
1 1 1 1  26 12 o 43.9117 3.27477 10.7703      1.55453  0            0        27.5505     48.8626     12.7897     228.863     
1 1 1 1  26 13 o 65.3423 2.7267  22.3532      2.83229  25.7188      2.5943   67.8249     45.5309     33.5899     45.5309     
1 1 1 1  26 14 o 41.0724 4.20239 8.14402      2.78028  11.9721      2.06061  25.6645     101.938     12.0928     281.938     
1 1 1 1  26 15 o 14.6653 4.07022 1.72999      1.48819  -0.640111    1.42429  2.7034      146.55      8.30377     326.55      
1 1 1 1  26 16 o 14.084  4.05784 0.0668642    1.38805  1.00832      1.42406  1.75139     67.6425     19.7858     67.6425     
1 1 1 1  26 17 o 82.3176 2.96005 44.2908      3.82631  33.1701      3.61815  54.822      217.707     20.5374     37.7074     
1 1 1 1  26 18 o 12.6222 3.85366 -1.07514     1.32162  0.781341     1.51076  0.51806     76.9656     7.60932     76.9656     
1 1 1 1  26 19 o 15.7463 4.50758 0.461359     1.90675  1.18352      1.53827  2.24553     186.244     6.95253     6.24405     
1 1 1 1  26 20 o 50.5374 2.85437 13.8664      2.18356  15.3675      2.21888  34.3836     37.5246     9.20769     217.525     
1 1 1 1  26 21 o 31.9402 4.87179 4.53175      2.92357  8.30248      1.744    22.5391     59.445      0.28746     239.445     
1 1 1 1  26 22 o 14.6872 4.16644 0.198975     1.58679  1.20377      1.36058  0.876971    40.9123     7.85403     220.912     
1 1 1 1  26 23 o 19.6791 4.32193 3.23014      1.39468  1.18628      1.75731  5.35476     82.8377     13.5394     262.838     
1 1 1 1  26 24 o 24.0591 4.13611 3.64773      1.46125  3.59986      1.57436  9.81257     34.4015     13.5472     214.401     
1 1 1 1  26 25 o 41.8433 3.53801 9.58604      2.11634  11.4209      2.35416  21.2178     199.229     21.3931     19.2288     
1 1 1 1  26 26 o 15.8337 4.44737 0.562415     1.57987  1.68843      1.69964  0.964375    15.2972     16.604      195.297     
1 1 1 1  26 27 o 30.9289 3.695   5.44979      1.63748  6.37043      1.75705  16.6674     281.869     12.4958     101.869     
1 1 1 1  26 28 o 56.9118 2.90848 20.6025      2.62863  17.5299      2.43413  47.0924     351.874     6.35272     351.874     
1 1 1 1  26 29 o 13.1847 4.26383 -1.85712     2.68965  0.18441      1.36771  2.61562     274.679     7.93485     94.6791     
1 1 1 1  26 30 o 19.4943 4.7337  2.76254      1.63879  2.26622      1.82295  7.65198     242.258     10.8913     62.258      
1 1 1 1  26 31 o 26.1106 5.11521 5.05907      2.17802  4.72033      2.0773   19.3147     56.8125     3.41164     56.8124     
1 1 1 1  26 32 o 19.2962 4.83934 2.82044      1.74558  2.2702       1.88596  5.98507     99.7749     13.7023     279.775     
1 1 1 1  26 33 f 18.7856 5.01801 2.69394      2.03915  2.15228      1.93487  16.022      201.326     0           0           
1 1 1 1  26 34 o 27.1866 4.90023 4.29036      2.00874  6.59089      2.16021  13.7616     283.657     12.5829     103.657     
1 1 1 1  26 35 o 12.3974 3.96173 1.09185      1.74187  -2.87945     1.79121  2.40022     221.281     1.65362     41.2815     
1 1 1 1  26 36 o 41.6453 4.20496 14.3307      2.53329  9.40922      2.55748  40.9659     237.043     20.4094     237.043     
1 1 1 1  26 37 o 16.9306 4.79382 2.68066      1.89966  0.89947      2.04617  6.67163     161.768     7.62792     341.768     
1 1 1 1  26 38 f 30.2162 5.64695 7.88779      2.7846   7.4668       2.55111  26.2369     338.294     0           0           
1 1 1 1  26 39 o 25.7015 7.48608 98.9419      28.6092  6.82063      2.73876  10.1511     330.455     15.3254     150.455     
1 1 1 1  26 40 o 16.6467 4.52453 2.48002      1.65364  1.36232      1.66939  4.32787     280.393     5.61857     100.393     
1 1 1 1  26 41 o 17.396  4.97939 2.24793      1.9884   2.36037      2.15456  4.90892     255.613     5.5687      75.6131     
1 1 1 1  26 42 o 15.0627 4.72099 1.46342      2.10789  1.05014      2.25592  3.56038     24.6094     5.07755     204.609     
1 1 1 1  26 43 o 20.5101 5.52004 3.8702       2.37924  4.70529      2.45739  13.4232     43.316      3.75384     43.316      
1 1 1 1  26 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  27 0  o 32.8973 3.71836 6.4661       1.73957  6.4661       1.73957  10.8502     90          30.6453     270         
1 1 1 1  27 1  o 51.3947 3.16069 13.6597      2.41009  16.5269      2.53476  30.5601     48.7317     18.8716     228.732     
1 1 1 1  27 2  o 47.9667 3.29603 14.6202      2.28772  11.8123      2.46469  25.7668     333.406     22.9798     153.406     
1 1 1 1  27 3  o 24.1338 4.25048 2.6561       1.63053  4.41244      1.57455  6.91093     153.25      21.2192     333.25      
1 1 1 1  27 4  o 37.7391 3.47535 7.78836      1.99765  8.73231      1.93309  30.9121     276.469     5.14028     276.469     
1 1 1 1  27 5  o 42.6186 3.21245 10.6618      2.07125  10.1752      2.07894  29.5412     288.386     6.37684     108.386     
1 1 1 1  27 6  o 15.778  4.46323 1.04336      1.41535  0.708521     1.89481  1.81856     126.691     15.2788     306.691     
1 1 1 1  27 7  o 66.1109 2.43107 20.4001      2.48348  28.894       2.36383  45.8235     179.024     11.9606     359.024     
1 1 1 1  27 8  o 19.9103 4.21251 1.35231      1.4614   3.30417      1.46477  4.1251      188.655     19.0163     8.65478     
1 1 1 1  27 9  o 29.0718 3.84798 6.30788      1.59763  3.88747      1.68448  10.888      221.655     21.3849     41.655      
1 1 1 1  27 10 o 21.2444 4.18586 2.54041      1.4184   2.9547       1.42699  7.32139     267.893     13.9999     87.8932     
1 1 1 1  27 11 o 30.6829 3.62012 3.69778      1.51789  7.78043      1.71901  2.42481     78.026      41.5051     258.026     
1 1 1 1  27 12 o 45.1242 3.42521 10.5748      2.15473  13.1946      2.53609  46.3998     277.007     26.6268     277.007     
1 1 1 1  27 13 o 42.786  3.38183 8.28832      2.1231   13.3004      2.13495  36.4593     280.768     9.1305      280.768     
1 1 1 1  27 14 o 41.2813 3.28559 9.81342      2.05343  10.0192      2.05105  36.1635     171.761     11.4995     171.761     
1 1 1 1  27 15 o 14.8616 4.25795 1.29826      1.58612  0.108722     1.49878  1.12886     285.937     6.44985     105.937     
1 1 1 1  27 16 o 39.8247 3.97709 7.96845      2.33524  11.1952      2.33854  22.9016     193.779     14.0155     13.779      
1 1 1 1  27 17 o 30.7076 4.3005  5.63643      1.88377  6.00005      2.03962  25.2748     120.761     11.2655     120.761     
1 1 1 1  27 18 o 14.1142 4.02279 -0.693981    1.37231  1.58739      1.50895  0.270209    341.301     7.24897     161.301     
1 1 1 1  27 19 o 28.0236 4.6542  5.43747      2.19526  4.58577      1.75515  6.26069     168.296     28.1667     348.296     
1 1 1 1  27 20 o 31.4387 4.14695 1.40428      1.71547  12.6225      2.51259  4.37365     208.277     38.1384     28.277      
1 1 1 1  27 21 o 12.4452 3.82938 -0.750549    1.73467  0.44801      1.11699  6.3293      227.226     26.1679     227.226     
1 1 1 1  27 22 o 15.4133 4.8543  2.00128      3.16207  -0.204679    1.08238  2.55875     32.3143     7.19103     212.314     
1 1 1 1  27 23 f 20.4716 5.06099 3.6676       2.40718  1.97277      1.51993  19.059      349.917     0           0           
1 1 1 1  27 24 o 33.9782 4.9625  6.21904      1.89387  9.53005      3.13578  27.9559     11.7209     6.9544      11.7209     
1 1 1 1  27 25 o 19.1059 5.35307 3.95146      2.42132  -2.95683     3.4682   4.70968     257.795     2.04696     257.795     
1 1 1 1  27 26 o 22.5267 5.99338 2.17041      2.52267  5.41195      3.20328  15.8357     141.639     6.51315     141.639     
1 1 1 1  27 27 o 20.2782 5.37289 1.19783      2.53299  3.95252      2.2972   11.1546     30.5263     4.07958     30.5263     
1 1 1 1  27 28 o 20.8525 5.56972 4.59031      2.59345  1.19808      2.60976  8.7166      41.2267     9.92066     221.227     
1 1 1 1  27 29 o 22.7002 5.69551 5.62939      2.65377  2.08169      2.67297  9.38278     17.9329     12.1616     197.933     
1 1 1 1  27 30 o 41.4389 4.45077 10.9474      2.88525  12.1441      2.55971  36.4739     117.75      11.5175     117.75      
1 1 1 1  27 31 o 37.2116 5.23367 10.0045      3.10647  10.3356      2.66288  32.8385     283.207     11.0058     283.207     
1 1 1 1  27 32 o 16.2433 4.64861 0.663517     1.86373  2.23766      1.84266  8.45627     152.027     0.17922     152.027     
1 1 1 1  27 33 o 14.2891 4.38593 1.3465       1.85884  -0.127256    1.77598  5.01361     41.2557     2.84162     221.256     
1 1 1 1  27 34 o 19.4717 6.172   2.5709       2.87224  3.6415       5.01137  10.8413     344.086     2.42459     344.086     
1 1 1 1  27 35 o 15.8286 4.73808 2.3352       1.90222  -0.599402    2.509    4.71045     227.559     9.70172     47.5594     
1 1 1 1  27 36 o 14.2113 4.33095 -1.6829      1.9419   2.15808      1.87188  4.30856     71.1817     5.38938     251.182     
1 1 1 1  27 37 o 11.8389 3.96368 -0.896305    1.988    -1.02254     1.85288  1.22809     245.086     12.1415     245.086     
1 1 1 1  27 38 o 28.5398 5.52967 7.30013      2.60507  6.47322      2.39932  16.3151     31.0548     5.74885     211.055     
1 1 1 1  27 39 o 14.7464 4.771   -1.83245     3.41809  1.385        2.01239  0.259141    58.4582     13.9951     238.458     
1 1 1 1  27 40 o 14.9796 4.76441 -0.283554    2.90075  1.85325      2.04041  3.12834     181.88      2.40059     1.87998     
1 1 1 1  27 41 o 21.0518 5.76429 5.67697      3.05279  4.05888      2.28693  13.8855     123.354     6.04748     123.354     
1 1 1 1  27 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  28 0  o 11.6769 4.95899 0.896499     1.60454  0.896499     1.60454  3.00236     270         14.1843     270         
1 1 1 1  28 1  o 74.8663 2.57119 32.1389      2.83054  31.1732      3.06976  59.7221     327.504     3.65577     327.504     
1 1 1 1  28 2  o 27.5725 4.66405 3.38911      2.00294  6.23969      1.99349  15.9729     279.445     5.72601     99.4449     
1 1 1 1  28 3  o 27.7195 4.2114  5.10625      1.77826  4.34658      1.71195  17.4977     281.95      2.51379     101.95      
1 1 1 1  28 4  o 13.9291 4.11271 -0.0489304   1.49175  0.833447     1.48564  0.27253     57.0683     4.78738     237.068     
1 1 1 1  28 5  o 17.9039 4.80487 1.70802      1.76823  1.55162      1.88563  3.60392     273.929     2.07818     93.9293     
1 1 1 1  28 6  o 12.1652 3.87758 -1.13332     1.45676  -0.00706931  1.62866  0.507663    66.873      3.4508      66.8729     
1 1 1 1  28 7  o 15.9552 4.34268 1.17965      1.50249  1.19367      1.50656  2.17133     283.556     8.08747     103.556     
1 1 1 1  28 8  o 52.168  2.71272 16.3085      2.22528  14.7036      2.10285  32.0475     299.466     15.4916     119.466     
1 1 1 1  28 9  o 34.6867 3.39143 6.77694      1.75709  7.38046      1.76622  21.776      73.6766     6.916       253.677     
1 1 1 1  28 10 o 13.0162 4.00959 0.293488     1.40046  -0.444682    1.64905  0.507748    1.19184     6.04001     1.19184     
1 1 1 1  28 11 o 45.9877 3.04799 10.2633      1.98564  14.3313      2.27154  32.7845     110.27      3.41701     290.27      
1 1 1 1  28 12 o 58.6996 2.88252 22.4088      2.57874  17.249       2.56288  43.297      201.714     2.91674     21.7136     
1 1 1 1  28 13 o 19.7174 4.73344 2.66254      1.73055  2.04755      1.71343  5.63981     342.568     11.7934     162.568     
1 1 1 1  28 14 o 28.4955 4.39116 5.88619      1.8828   4.366        1.87111  19.2928     238.914     0.372758    238.913     
1 1 1 1  28 15 o 18.5885 4.77167 2.02347      1.77093  1.99714      1.75482  4.63477     13.9321     12.0841     193.932     
1 1 1 1  28 16 o 10.819  3.55874 -1.46464     1.40826  -0.61071     1.47411  4.00669     39.2806     15.5237     39.2805     
1 1 1 1  28 17 o 17.0458 4.59796 1.49153      1.60383  1.62466      1.7488   4.46859     183.893     3.13656     3.89299     
1 1 1 1  28 18 o 24.5801 5.56712 4.21771      1.98293  4.16675      2.89099  6.1137      334.035     22.3075     154.035     
1 1 1 1  28 19 f 40.0673 5.55733 12.3001      4.11016  10.0134      2.4075   27.3525     53.6359     0           0           
1 1 1 1  28 20 o 45.3149 5.32348 10.4428      3.61922  17.8108      3.23292  44.4835     295.578     22.5752     295.578     
1 1 1 1  28 21 o 19.6858 5.42069 3.90823      2.53667  0.446598     2.49935  7.89804     25.6418     9.85461     205.642     
1 1 1 1  28 22 o 29.2109 5.8583  6.98376      2.7709   5.84647      2.76276  21.8295     101.311     2.52663     101.311     
1 1 1 1  28 23 o 22.1211 5.7653  4.0219       2.58246  3.06884      2.62672  14.3073     9.02456     6.00188     9.02456     
1 1 1 1  28 24 o 37.6809 5.76615 8.18921      3.52111  12.9641      3.04309  26.3946     127.971     2.43296     307.971     
1 1 1 1  28 25 f 29.0405 6.00382 6.39396      2.84366  6.89447      2.86716  21.3991     191.136     0           0           
1 1 1 1  28 26 o 15.6638 4.96709 1.40601      2.51864  -1.11485     2.5717   4.23419     149.061     7.96556     329.061     
1 1 1 1  28 27 o 16.2822 5.05674 2.40824      2.58594  -1.46758     2.56656  6.27952     86.2919     0.222698    266.292     
1 1 1 1  28 28 o 15.0226 4.97116 0.000393637  2.89227  -1.23751     2.86339  5.96318     42.9435     0.466562    222.943     
1 1 1 1  28 29 o 24.0473 6.31664 10.0711      4.01783  0.873985     2.79068  14.9706     59.9346     2.87918     239.935     
1 1 1 1  28 30 o 28.6376 6.6516  6.9874       4.38097  8.94685      3.09032  15.4199     226.068     9.96302     46.0681     
1 1 1 1  28 31 o 16.5138 5.34071 0.106206     3.09767  1.52716      3.02673  6.42488     297.413     5.65239     117.413     
1 1 1 1  28 32 o 13.9706 4.72265 -0.253894    3.02713  -2.07777     2.65649  1.46748     1.23114     13.2201     181.231     
1 1 1 1  28 33 o 24.7853 7.14898 7.73808      4.25619  7.82874      4.35829  17.0734     318.004     2.68679     318.004     
1 1 1 1  28 34 o 22.4128 6.38597 5.95471      3.40298  4.72559      3.4071   13.5105     91.9812     4.77961     91.9812     
1 1 1 1  28 35 o 35.4959 5.96538 -1.45402     4.57227  26.9221      5.22491  32.5118     258.86      21.0133     258.86      
1 1 1 1  28 36 o 17.4688 5.82062 -1.61572     4.02475  4.13638      4.21516  3.584       284.651     3.99623     104.651     
1 1 1 1  28 37 o 18.8014 5.77699 4.4502       2.99172  1.92884      3.54548  6.41902     174.904     0.43778     354.904     
1 1 1 1  28 38 o 11.8299 4.13138 -1.46464     2.70014  -4.43857     2.81351  0.391489    291.852     1.85021     111.852     
1 1 1 1  28 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  29 0  o 37.7405 4.09456 8.63905      2.21335  8.63905      2.21335  29.1618     89.9999     0.19875     270         
1 1 1 1  29 1  f 44.4278 3.28659 13.3046      2.13673  9.95002      2.22565  34.9621     106.233     0           0           
1 1 1 1  29 2  o 15.231  4.47095 -0.772695    1.81249  1.62342      1.82395  1.201       157.501     18.2489     157.501     
1 1 1 1  29 3  o 19.386  4.8979  2.16603      1.96372  2.29053      1.74262  1.50943     332.628     28.5555     332.628     
1 1 1 1  29 4  o 47.8834 3.05336 12.4452      2.25619  14.2299      2.18099  33.1972     317.17      5.16553     137.17      
1 1 1 1  29 5  o 14.4337 4.34373 0.700461     1.79205  0.121148     1.59157  2.57785     344.846     20.2566     344.846     
1 1 1 1  29 6  o 13.8122 4.32317 -0.510812    1.75636  0.235259     1.88535  0.122438    169.911     9.50598     169.911     
1 1 1 1  29 7  o 11.8284 3.83397 -1.65211     1.46359  -0.0253887   1.71353  2.48592     51.0543     12.6936     51.0543     
1 1 1 1  29 8  o 31.7148 3.91126 7.77255      1.82181  4.74332      1.80681  12.8951     124.376     20.2236     304.376     
1 1 1 1  29 9  f 26.6329 4.41482 4.30405      1.79334  4.78745      1.76713  23.4204     170.771     0           0           
1 1 1 1  29 10 f 43.177  3.57549 7.40891      1.91241  15.8117      2.72302  30.9034     275.483     0           0           
1 1 1 1  29 11 o 30.9555 4.03735 5.29737      1.65797  6.74057      2.05488  16.3944     230.911     11.6166     50.9108     
1 1 1 1  29 12 o 14.7014 4.30875 1.7303       1.71605  -1.04061     1.73637  1.04596     111.416     1.48429     291.416     
1 1 1 1  29 13 o 16.8211 4.71709 1.06879      1.7792   1.76603      1.8715   4.76829     324.978     1.82322     144.978     
1 1 1 1  29 14 o 22.8803 5.08497 3.46002      2.01593  3.72272      1.98109  14.5777     317.23      6.14928     317.23      
1 1 1 1  29 15 o 33.3278 4.65411 9.83628      2.20696  5.09913      2.37255  16.5476     112.936     15.8131     292.936     
1 1 1 1  29 16 o 21.1172 5.07631 4.17351      1.8442   0.938567     2.76712  10.7395     308.495     6.20023     128.495     
1 1 1 1  29 17 o 10.6674 3.46228 0.269763     1.16265  -4.81753     2.02111  0.0551132   144.855     6.13454     324.855     
1 1 1 1  29 18 o 21.6055 5.50891 4.80832      2.91556  2.15298      1.76531  13.019      178.321     1.00637     358.321     
1 1 1 1  29 19 o 31.5789 5.11254 12.3235      2.89138  2.51711      2.6992   18.0589     35.0675     9.45428     215.067     
1 1 1 1  29 20 o 25.2029 6.01492 4.54553      2.78357  5.45801      2.77617  17.5507     342.48      3.42161     342.48      
1 1 1 1  29 21 o 16.1632 5.09564 0.517922     2.58712  0.552284     2.55504  1.27794     81.7459     16.6779     261.746     
1 1 1 1  29 22 o 18.1774 5.38188 2.92565      2.58623  0.520058     2.62279  7.73037     267.944     4.55339     87.9444     
1 1 1 1  29 23 o 20.2154 5.50236 5.17722      2.72512  -0.206381    2.73456  10.5392     0.640534    4.29131     180.641     
1 1 1 1  29 24 o 38.0114 5.62438 11.1043      3.19414  10.9465      3.1784   34.5142     91.2551     14.3607     91.2551     
1 1 1 1  29 25 o 23.4921 5.94719 6.2377       2.85957  3.08921      2.83446  13.6733     248.043     4.80919     68.0428     
1 1 1 1  29 26 o 26.0801 6.22301 6.26898      2.97426  5.95388      2.95448  13.33       59.6936     9.938       239.694     
1 1 1 1  29 27 o 16.0727 5.03289 2.93786      2.66009  -2.54002     2.73851  5.87414     165.803     6.61498     345.803     
1 1 1 1  29 28 o 25.4196 6.43994 5.57497      3.61185  7.04552      3.02743  16.9235     354.989     0.171014    354.989     
1 1 1 1  29 29 o 26.1668 6.58029 7.66479      3.6027   6.32475      3.06667  18.0544     27.1446     1.45566     27.1445     
1 1 1 1  29 30 o 16.2003 5.15192 -0.646574    2.79952  2.50277      2.75429  6.32759     60.567      0.879466    240.567     
1 1 1 1  29 31 o 29.6851 6.88905 8.02266      3.76724  10.9561      3.69413  17.4481     24.9162     5.93839     204.916     
1 1 1 1  29 32 o 14.8089 5.07514 1.69015      3.67707  -6.55335     3.67764  1.35029     110.259     9.76929     290.259     
1 1 1 1  29 33 o 17.7072 5.74522 3.00552      3.29228  0.531662     4.11857  3.5389      148.589     4.13541     328.589     
1 1 1 1  29 34 o 19.784  6.27599 5.31765      4.39605  3.42116      3.51842  7.44773     262.497     5.44886     82.4966     
1 1 1 1  29 35 o 19.9466 6.45846 4.96548      4.42544  6.47985      4.51922  6.92147     258.191     10.3007     78.1909     
1 1 1 1  29 36 o 15.3922 5.0907  1.29801      3.0202   1.03526      2.9869   5.44343     354.269     4.19846     174.269     
1 1 1 1  29 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  30 0  o 24.3918 6.18645 4.72812      2.12409  4.72812      2.12409  16.4878     270         3.67911     89.9999     
1 1 1 1  30 1  o 26.0919 4.84943 4.90458      1.93615  4.31296      2.02193  13.8251     196.027     8.3282      16.0272     
1 1 1 1  30 2  o 25.7379 4.95609 4.70088      1.92583  4.3481       2.12068  16.8661     43.4061     0.461544    223.406     
1 1 1 1  30 3  o 22.8366 5.27256 3.51857      2.33614  3.71362      1.95805  13.4876     251.263     1.76767     71.2629     
1 1 1 1  30 4  o 16.0344 4.48901 -1.02571     1.99621  2.3966       1.73633  2.78174     225         13.2534     45.0002     
1 1 1 1  30 5  o 16.8081 4.69645 0.489216     2.02027  2.11208      1.73294  5.54368     71.9745     7.4677      251.974     
1 1 1 1  30 6  o 15.6575 4.60479 -0.671717    1.96438  1.96121      1.92481  4.6355      214.808     2.38792     34.8076     
1 1 1 1  30 7  o 15.1978 4.56402 0.262667     1.67124  1.23395      2.04451  2.91426     46.2087     11.3315     226.209     
1 1 1 1  30 8  o 13.9562 4.20835 -0.178409    1.62499  0.993186     1.6159   1.98658     119.16      1.22667     299.16      
1 1 1 1  30 9  o 23.6469 4.64655 3.52574      1.74973  4.0644       1.76206  15.3448     291.367     0.958065    111.367     
1 1 1 1  30 10 o 18.5438 4.44225 3.66584      1.76746  0.56717      1.53461  8.56855     284.25      5.90313     104.25      
1 1 1 1  30 11 o 11.1452 3.72602 -0.811714    1.72184  -2.07167     1.66972  1.98423     266.129     14.6581     266.129     
1 1 1 1  30 12 o 24.7215 4.94618 5.71098      2.06755  2.8702       2.04655  12.2353     198.378     9.626       18.3778     
1 1 1 1  30 13 o 30.6818 5.00376 7.32943      2.3533   5.82075      2.29103  18.0946     112.337     7.41314     292.337     
1 1 1 1  30 14 o 13.0799 4.17572 -0.0183283   1.79907  -0.487235    1.78044  1.35767     23.1872     5.22456     203.187     
1 1 1 1  30 15 o 20.6151 5.34439 3.70038      1.96088  1.71917      2.90809  10.3125     247.822     3.65435     67.8216     
1 1 1 1  30 16 o 15.0584 4.31469 2.08449      1.68454  -0.489574    1.6637   3.24863     228.794     7.38595     48.7936     
1 1 1 1  30 17 o 21.3931 6.09564 6.72981      3.72912  0.140619     2.76443  11.3454     321.629     3.14347     141.629     
1 1 1 1  30 18 f 19.561  5.57782 4.67209      2.76993  -1.24184     3.23747  21.2991     327.278     0           0           
1 1 1 1  30 19 o 28.1435 6.07034 4.68577      2.96166  8.68613      3.04859  20.1035     229.954     1.58934     229.954     
1 1 1 1  30 20 o 15.5593 4.99651 -0.717752    2.63519  1.14534      2.63242  6.95663     14.2979     1.0753      194.298     
1 1 1 1  30 21 o 21.2125 5.90879 3.49309      2.82059  3.96445      2.85712  8.79035     311.107     11.0682     131.107     
1 1 1 1  30 22 o 20.0872 5.60992 0.0545529    2.83682  5.44667      2.86817  9.95986     59.1605     5.9577      239.16      
1 1 1 1  30 23 o 25.9969 5.777   9.15637      3.0025   2.41101      2.9786   10.4388     340.347     15.5828     160.347     
1 1 1 1  30 24 o 29.2136 6.25978 9.50182      3.15445  6.15563      3.1737   18.2441     173.418     4.02371     353.418     
1 1 1 1  30 25 o 18.5387 5.55336 0.625008     2.88341  4.02998      2.85218  9.08526     230.196     3.01332     50.1957     
1 1 1 1  30 26 o 18.4582 5.61027 2.19109      2.85702  3.07015      2.9019   4.48107     73.8488     14.8409     253.849     
1 1 1 1  30 27 o 13.8086 4.61558 1.48565      2.71623  -5.04628     2.78223  3.15693     137.908     3.43812     317.908     
1 1 1 1  30 28 o 18.9569 5.66071 0.956546     2.90156  4.78493      3.01361  7.43194     296.415     6.13399     116.415     
1 1 1 1  30 29 o 15.0193 4.97693 -0.736919    2.88702  0.748935     2.92072  1.1677      335.456     10.0198     155.456     
1 1 1 1  30 30 o 14.3457 4.89911 -0.897249    3.34236  -1.56896     3.18706  0.178756    66.5833     1.38629     246.583     
1 1 1 1  30 31 o 17.4195 5.83306 0.35371      4.29361  3.01732      4.12218  4.20401     196.024     8.12408     16.0244     
1 1 1 1  30 32 o 16.0133 5.29272 -2.96563     3.29748  4.30383      3.46814  2.49871     167.433     0.862752    347.433     
1 1 1 1  30 33 o 18.4166 5.99859 3.71426      4.46806  4.33682      3.5828   8.15217     258.128     4.56486     78.1284     
1 1 1 1  30 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  31 0  o 29.3017 5.74254 6.21939      2.24104  6.21939      2.24104  24.1863     90          4.39994     90          
1 1 1 1  31 1  o 11.7332 3.90343 -0.979766    1.77899  -1.5055      1.85095  0.089513    118.204     3.57041     298.204     
1 1 1 1  31 2  o 32.6035 4.65012 4.04128      2.15867  11.0474      2.44317  14.5824     319.78      17.5328     139.78      
1 1 1 1  31 3  o 18.1247 5.12418 1.68336      2.15363  2.23209      2.18249  5.75924     145.22      9.59819     325.22      
1 1 1 1  31 4  o 16.3388 4.72358 0.62911      1.92646  1.91087      1.90753  2.44977     253.194     14.0453     73.1943     
1 1 1 1  31 5  o 29.5712 4.67553 3.49824      2.2662   8.80859      2.10572  19.4828     81.3919     1.60045     261.392     
1 1 1 1  31 6  o 17.6143 5.08978 1.54669      2.26959  1.90966      2.11873  5.75527     105.554     7.19788     285.554     
1 1 1 1  31 7  o 19.6357 5.13086 2.65247      1.87855  2.67304      2.2431   6.83081     312.958     10.48       132.958     
1 1 1 1  31 8  o 31.7746 4.38495 6.86281      2.01016  6.67558      2.12471  20.6679     10.6891     3.21765     190.689     
1 1 1 1  31 9  o 12.6832 3.9722  0.935332     1.61805  -1.51957     1.62419  0.946959    61.8141     7.3295      241.814     
1 1 1 1  31 10 o 12.2322 3.88494 -2.58854     1.18183  1.66292      1.92529  0.1674      221.357     11.5115     221.357     
1 1 1 1  31 11 o 13.9205 4.41982 0.634644     2.04764  -0.601154    1.91542  2.8031      188.893     2.59877     8.89291     
1 1 1 1  31 12 o 15.836  4.81072 1.57857      2.13997  0.367739     2.12127  6.02638     301.185     1.51962     121.185     
1 1 1 1  31 13 o 17.3316 5.0695  1.65534      2.31879  1.87236      2.10272  7.71283     207.396     2.07558     207.396     
1 1 1 1  31 14 o 20.5385 5.37112 2.75043      2.29914  3.65426      2.23743  8.3734      225.051     10.8695     45.0513     
1 1 1 1  31 15 o 14.1032 4.56611 0.316562     2.67429  -0.204518    1.71064  4.3988      117.059     6.0688      297.059     
1 1 1 1  31 16 o 15.8805 5.25146 -2.30265     3.58864  1.06307      3.03792  4.46652     22.4312     0.760691    22.4312     
1 1 1 1  31 17 o 15.4238 5.16694 0.122659     2.74274  -2.13736     4.02499  5.48882     186.515     1.18173     6.51495     
1 1 1 1  31 18 o 23.195  6.21352 5.32149      3.05551  4.67397      3.05177  13.9141     107.01      1.98881     287.01      
1 1 1 1  31 19 o 24.6195 6.03044 3.01119      3.01501  7.94889      3.06027  17.473      38.4386     4.2012      38.4386     
1 1 1 1  31 20 o 19.0487 5.65798 4.46838      2.95412  0.662215     2.95367  9.53294     17.0183     2.50568     17.0183     
1 1 1 1  31 21 o 39.3194 5.71284 7.20952      3.49374  19.5233      3.55312  35.2484     112.555     15.5326     112.555     
1 1 1 1  31 22 o 21.2828 5.87689 6.47442      3.04067  1.48829      3.04848  13.1511     128.233     4.78917     128.233     
1 1 1 1  31 23 o 16.02   5.11685 3.06034      2.86368  -2.28073     2.8783   5.14677     60.9984     0.949412    240.998     
1 1 1 1  31 24 o 20.1042 5.95221 3.20682      3.08849  4.4106       3.12437  9.48086     113.003     1.69552     293.003     
1 1 1 1  31 25 o 59.0713 4.56006 26.4045      4.06894  24.2156      4.07884  54.5426     290.519     24.5705     290.519     
1 1 1 1  31 26 o 17.1372 5.44736 2.3797       2.98253  1.21373      3.05818  0.455274    225.187     0.458729    45.1867     
1 1 1 1  31 27 o 19.6398 5.7476  0.639618     3.05548  5.90048      3.09699  4.33106     22.5386     0.0649657   22.5385     
1 1 1 1  31 28 o 20.5185 5.98891 6.17837      3.18924  2.79362      3.17425  9.31603     72.8886     2.08947     252.889     
1 1 1 1  31 29 o 16.231  5.42515 2.07833      3.57221  1.13435      3.58288  4.79978     20.5571     2.78781     200.557     
1 1 1 1  31 30 o 15.5998 5.37321 -1.46445     3.41609  3.12416      4.58287  4.81955     26.9978     0.570757    206.998     
1 1 1 1  31 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  32 0  o 9.86742 4.75152 -0.591598    2.21506  -0.591598    2.21506  0.265564    270         2.25931     89.9995     
1 1 1 1  32 1  o 18.4233 5.2472  2.53916      2.15973  2.0388       2.45124  7.12489     206.854     9.37603     26.8538     
1 1 1 1  32 2  o 12.9937 4.32446 -1.52435     1.92643  -0.263901    2.45165  1.03455     278.385     12.827      98.385      
1 1 1 1  32 3  o 29.1212 5.25426 2.62312      2.46061  11.1275      2.93778  18.3138     318.851     4.0289      138.851     
1 1 1 1  32 4  f 19.6356 5.07916 1.32841      2.13891  4.11467      2.12616  17.8116     317.448     0           0           
1 1 1 1  32 5  o 17.4282 4.94675 2.28453      2.05976  1.62941      2.00022  7.72832     261.593     5.57936     81.5932     
1 1 1 1  32 6  o 19.9961 5.2439  1.83311      2.60628  3.83445      2.01974  11.3051     79.0739     2.19391     259.074     
1 1 1 1  32 7  o 14.2203 4.49232 0.692225     1.88568  -0.169015    2.17863  4.28705     184.343     1.51035     4.34307     
1 1 1 1  32 8  o 19.8927 4.9286  1.89337      1.94059  3.91481      1.9392   12.084      256.754     0.519701    256.754     
1 1 1 1  32 9  o 12.7187 4.10433 0.884593     1.93562  -1.80574     1.71934  0.164563    49.261      0.119267    229.261     
1 1 1 1  32 10 o 26.8911 5.43677 7.04026      2.42777  4.61198      2.41674  11.3876     182.931     14.5498     2.93111     
1 1 1 1  32 11 o 19.6919 5.45255 3.96044      2.46788  2.06435      2.43899  11.1905     199.282     0.478624    199.282     
1 1 1 1  32 12 o 13.0785 4.33206 -0.229858    2.22428  -1.23275     2.16137  2.29224     171.143     3.82841     351.143     
1 1 1 1  32 13 o 13.9157 4.31496 1.79485      1.8657   -2.22641     2.08778  0.730327    53.4188     17.9795     53.4188     
1 1 1 1  32 14 o 16.5117 5.26987 1.31182      3.00917  0.977384     2.67474  5.73351     137.002     6.48216     317.002     
1 1 1 1  32 15 o 15.4297 5.17821 0.0501611    3.63479  -0.661662    2.96023  4.91783     285.441     2.79231     105.441     
1 1 1 1  32 16 o 20.5809 6.27661 2.32731      3.70253  5.75352      3.71603  8.04632     139.875     9.85396     319.875     
1 1 1 1  32 17 o 25.1818 6.45958 5.26442      3.28645  7.862        3.31517  12.6982     263.629     7.9898      83.6294     
1 1 1 1  32 18 o 18.859  5.67805 0.0222899    3.10652  5.03712      3.10458  5.87656     71.5739     11.3171     251.574     
1 1 1 1  32 19 o 15.5581 5.13678 0.924363     3.05065  -0.201215    3.0356   3.44678     210.82      4.16917     30.8197     
1 1 1 1  32 20 o 22.7347 5.95431 8.30866      3.22328  1.07015      3.242    11.7201     74.0787     2.84558     74.0787     
1 1 1 1  32 21 o 13.7951 4.6955  -1.54927     2.91529  -1.13149     2.97078  0.118844    282.31      7.65411     282.31      
1 1 1 1  32 22 o 16.3587 5.28503 -1.21409     3.07795  2.97933      3.07657  1.27091     198.237     2.23649     18.2368     
1 1 1 1  32 23 o 14.8374 4.9582  -1.94869     3.06053  1.31589      3.00799  0.171018    112.493     12.6945     292.493     
1 1 1 1  32 24 o 18.1385 5.70244 3.52843      3.19443  2.6089       3.21601  6.00558     128.976     4.08808     308.976     
1 1 1 1  32 25 o 17.1069 5.33209 5.62745      3.10388  -3.00947     3.18912  4.86384     18.5598     0.46819     198.56      
1 1 1 1  32 26 o 17.3841 5.56066 2.57758      3.14867  3.22443      3.22748  7.09403     81.6274     0.345535    81.6274     
1 1 1 1  32 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  32 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  33 0  o 11.7554 5.32383 0.882219     2.17076  0.882219     2.17076  1.04798     270         7.47661     90.0003     
1 1 1 1  33 1  o 15.6552 4.84158 1.28568      2.20856  0.976939     2.22863  2.93213     125.612     12.2328     305.612     
1 1 1 1  33 2  o 25.8535 5.459   6.35303      2.34274  4.75858      2.40993  12.9249     42.4174     8.8251      222.417     
1 1 1 1  33 3  o 13.3676 4.42617 -0.00818191  2.28238  -1.24345     2.30498  2.36152     60.4023     6.56381     240.402     
1 1 1 1  33 4  o 13.7756 4.41132 1.2474       2.07555  -1.4092      2.09406  0.54426     137.56      16.9259     137.56      
1 1 1 1  33 5  o 25.4641 5.34716 6.67273      2.34751  4.09254      2.28577  19.6917     120.45      10.5165     120.45      
1 1 1 1  33 6  o 19.4691 5.13237 5.37691      2.45565  0.204145     2.19749  10.3476     22.4081     1.25816     202.408     
1 1 1 1  33 7  o 17.6943 4.82604 -1.5138      2.06465  4.86522      2.36053  7.9531      222.217     3.32311     42.2171     
1 1 1 1  33 8  o 17.0309 4.87396 1.94064      1.99298  2.13361      1.97586  7.14822     95.5378     3.28762     275.538     
1 1 1 1  33 9  o 25.7208 4.86975 3.0053       2.59694  7.28646      1.97496  17.2873     291.648     12.2785     291.648     
1 1 1 1  33 10 o 21.4967 5.86339 5.54685      2.79956  2.94907      2.90838  11.2157     251.018     3.47644     71.018      
1 1 1 1  33 11 o 21.4838 5.7671  3.59766      2.66487  4.87714      2.64548  8.36322     287.116     10.0869     107.116     
1 1 1 1  33 12 o 13.684  4.49728 -0.113002    2.2315   -0.247932    2.34143  0.157982    74.4051     13.2453     74.4051     
1 1 1 1  33 13 f 16.3756 5.2095  1.04088      3.29728  1.55543      2.3278   8.13731     205.124     0           0           
1 1 1 1  33 14 o 19.06   4.1078  6.10824      2.05325  -1.57107     1.49575  4.29887     292.49      13.5664     112.49      
1 1 1 1  33 15 o 21.6207 6.68483 6.02258      3.82025  4.89391      4.99531  7.0164      238.068     0.202712    238.068     
1 1 1 1  33 16 o 19.7617 6.12027 3.97226      3.32353  3.6523       3.84375  5.59652     181.525     6.40263     1.52502     
1 1 1 1  33 17 o 27.0061 6.67994 6.08406      3.55285  10.1441      3.5964   16.304      309.446     6.12955     309.446     
1 1 1 1  33 18 o 18.1486 5.70554 4.56034      3.33574  0.586065     3.26485  4.81542     340.474     2.73713     160.474     
1 1 1 1  33 19 o 17.5919 5.60479 4.35706      3.30454  0.548649     3.28244  5.14389     171.427     5.59985     351.427     
1 1 1 1  33 20 o 22.9444 6.44735 5.39184      3.48682  8.09206      3.47832  11.157      22.0241     5.3488      202.024     
1 1 1 1  33 21 o 18.9033 5.8575  2.16227      3.36424  5.74392      3.35757  8.8076      28.4018     1.73063     208.402     
1 1 1 1  33 22 o 18.6066 5.70276 -0.822231    3.29607  6.93936      3.40192  7.34304     154.606     3.01592     154.606     
1 1 1 1  33 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  34 0  o 13.4198 5.82158 1.7635       2.31373  1.7635       2.31373  0.654638    89.9998     9.59696     89.9998     
1 1 1 1  34 1  o 12.5784 4.20001 0.800944     2.23169  -3.86403     2.23691  0.61126     186.742     4.65425     186.742     
1 1 1 1  34 2  o 12.5636 4.21866 -0.509389    2.17402  -1.59728     2.26789  0.259483    206.36      2.00986     206.36      
1 1 1 1  34 3  o 14.7417 4.79126 0.970109     2.52853  -0.274825    2.47019  0.0464293   271.823     9.54901     91.8229     
1 1 1 1  34 4  o 13.6525 4.46733 0.584074     2.22202  -0.910422    2.25702  0.879257    214.246     9.19219     214.246     
1 1 1 1  34 5  f 13.5894 4.40743 -3.42336     2.48863  1.54055      2.14139  4.49839     234.196     0           0           
1 1 1 1  34 6  o 14.387  4.65392 0.472384     2.48252  0.317946     2.1383   0.0860039   37.7715     8.10632     37.7716     
1 1 1 1  34 7  o 17.0262 5.31545 2.14982      2.37006  1.55489      3.22568  1.07675     93.2678     1.18712     273.268     
1 1 1 1  34 8  o 17.667  5.33883 1.7897       2.60765  2.96245      2.57951  1.96886     17.0311     14.2502     197.031     
1 1 1 1  34 9  o 21.9266 6.39675 9.37609      4.07624  1.4413       3.33486  9.20377     169.403     3.82482     349.403     
1 1 1 1  34 10 o 21.3874 6.46983 9.16638      4.59343  2.6092       2.85515  8.95057     144.225     1.15109     324.225     
1 1 1 1  34 11 o 23.4307 5.93606 10.9512      3.59383  0.473387     2.86064  12.7963     45.8854     0.780993    45.8854     
1 1 1 1  34 12 o 22.3404 6.47197 10.7462      4.23002  2.37019      3.09231  11.0315     33.6355     2.09988     213.636     
1 1 1 1  34 13 o 17.2456 5.64852 1.30463      4.25757  3.35577      3.21513  5.29103     249.627     3.18201     69.6266     
1 1 1 1  34 14 o 16.3685 5.4879  -1.65822     3.74544  4.24051      3.83682  4.36464     90.0052     1.62703     270.005     
1 1 1 1  34 15 o 21.7811 6.6711  7.75113      4.07214  6.786        4.21389  8.14073     317.754     10.7611     137.755     
1 1 1 1  34 16 o 13.9528 4.79558 0.43723      3.27107  -2.46091     3.28952  3.59914     283.21      4.59549     103.21      
1 1 1 1  34 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  34 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  35 0  o 11.7386 5.51182 0.869044     2.64937  0.869044     2.64937  0.975868    90.0001     5.25853     270         
1 1 1 1  35 1  o 14.1458 4.70182 0.353818     2.49062  0.337414     2.746    3.20598     30.8917     3.87669     210.892     
1 1 1 1  35 2  o 15.3113 4.94615 1.62066      2.45069  1.00309      2.79318  4.17295     243.498     1.30342     63.4976     
1 1 1 1  35 3  o 16.5773 5.36381 3.07215      3.27569  1.42238      2.85083  6.24821     114.542     1.56787     294.542     
1 1 1 1  35 4  o 16.2779 5.18729 3.92246      2.89876  -0.685151    2.86589  2.17261     287.83      14.939      107.83      
1 1 1 1  35 5  o 17.8609 5.49199 4.3634       2.89487  1.69093      2.8711   6.91665     214.957     6.55253     34.9573     
1 1 1 1  35 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  35 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  35 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  35 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 1  35 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  0  0  o 47.4697 3.07374 12.5757      2.20125  12.5757      2.20125  73.0784     180         175.563     180         
1 1 1 2  0  1  o 64.0332 1.9434  22.449       1.90822  22.449       1.90822  1.47193     89.9999     39.136      270         
1 1 1 2  0  2  o 496.174 2.14215 1340.68      16.3658  1340.68      16.3658  386.295     360         159.645     180         
1 1 1 2  0  3  o 27.9054 2.10256 4.38264      0.877684 4.38264      0.877684 122.678     270         272.614     270         
1 1 1 2  0  4  o 302.515 1.81273 498.402      8.44304  498.402      8.44304  472.33      180         376.93      180         
1 1 1 2  0  5  o 6.17589 2.46717 0.272944     0.359522 0.272944     0.359522 72.9951     270         146.694     270         
1 1 1 2  0  6  f 307.45  1.81791 514.792      8.60534  514.792      8.60534  249.872     360         0           0           
1 1 1 2  0  7  o 6.71267 2.71484 0.312014     0.442742 0.312014     0.442742 39.3506     90.0001     79.1346     90.0001     
1 1 1 2  0  8  o 271.743 2.10821 402.245      8.8195   402.245      8.8195   261.04      360         12.4242     360         
1 1 1 2  0  9  o 171.657 1.94431 160.573      5.13648  160.573      5.13648  169.351     90          134.136     90          
1 1 1 2  0  10 o 39.5546 2.01319 8.65145      1.21134  8.65145      1.21134  15.1065     7.02322e-05 38.5578     7.02322e-05 
1 1 1 2  0  11 o 122.661 1.95634 82.0584      3.69098  82.0584      3.69098  96.8881     90          43.592      90          
1 1 1 2  0  12 o 143.32  1.83782 111.965      4.053    111.965      4.053    78.9924     180         109.227     9.77392e-06 
1 1 1 2  0  13 o 207.186 1.82673 233.863      5.82605  233.863      5.82605  218.126     270         49.1208     270         
1 1 1 2  0  14 o 287.379 1.83857 449.819      8.13475  449.819      8.13475  266.314     0           4.24939     180         
1 1 1 2  0  15 f 174.95  1.84904 166.773      4.97886  166.773      4.97886  5.97261     270         0           0           
1 1 1 2  0  16 o 218.347 1.97076 259.723      6.62387  259.723      6.62387  210.149     180         13.1406     180         
1 1 1 2  0  17 o 332.795 1.85462 603.146      9.50297  603.146      9.50297  257.336     270         105.339     90          
1 1 1 2  0  18 o 492.106 1.88842 1318.7       14.3093  1318.7       14.3093  397.855     180         120.154     8.6113e-06  
1 1 1 2  0  19 o 277.808 1.86049 420.337      7.95747  420.337      7.95747  289.334     90          62.2014     90          
1 1 1 2  0  20 o 160.775 2.15661 140.901      5.3349   140.901      5.3349   139.559     180         18.6601     1.05823e-05 
1 1 1 2  0  21 o 380.102 2.64592 787.006      15.4836  787.006      15.4836  394.743     90          84.5214     90          
1 1 1 2  0  22 o 760.261 2.29196 3147.62      26.8314  3147.62      26.8314  679.161     180         49.9169     360         
1 1 1 2  0  23 o 11.3599 4.76915 0.760988     1.45177  0.760988     1.45177  97.2296     90          196.698     90          
1 1 1 2  0  24 o 138.77  2.79229 105.141      5.95595  105.141      5.95595  82.1702     180         88.6137     8.87322e-06 
1 1 1 2  0  25 o 101.519 2.33995 56.3081      3.64918  56.3081      3.64918  67.2322     270         9.56548     90          
1 1 1 2  0  26 o 47.312  2.50922 12.3969      1.8039   12.3969      1.8039   34.9766     360         123.459     360         
1 1 1 2  0  27 o 159.907 1.91727 139.38       4.71802  139.38       4.71802  192.315     270         91.1182     270         
1 1 1 2  0  28 f 218.148 1.90168 259.308      6.38602  259.308      6.38602  120.435     180         0           0           
1 1 1 2  0  29 o 229.89  1.9002  287.979      6.72477  287.979      6.72477  171.599     270         78.1487     90          
1 1 1 2  0  30 o 145.749 2.08226 115.864      4.66907  115.864      4.66907  178.927     180         91.3193     180         
1 1 1 2  0  31 o 402.725 1.90874 883.624      11.8359  883.624      11.8359  374.533     90          13.5665     90          
1 1 1 2  0  32 o 72.6126 2.17464 28.8828      2.42164  28.8828      2.42164  17.9151     180         9.31879     180         
1 1 1 2  0  33 o 123.188 1.99015 82.8088      3.77079  82.8088      3.77079  113.58      270         3.04311     270         
1 1 1 2  0  34 o 72.8787 2.23272 29.1072      2.49494  29.1072      2.49494  61.0877     4.07845e-08 8.17323     180         
1 1 1 2  0  35 o 85.5114 2.18057 40.004       2.86286  40.004       2.86286  38.8567     270         77.2322     90          
1 1 1 2  0  36 o 235.078 1.93615 301.24       7.00662  301.24       7.00662  214.721     180         4.35962     180         
1 1 1 2  0  37 o 105.026 2.10972 60.267       3.40579  60.267       3.40579  114.32      90          39.1732     90          
1 1 1 2  0  38 f 84.9032 2.23678 39.4667      2.91518  39.4667      2.91518  72.2047     180         0           0           
1 1 1 2  0  39 o 29.9168 4.3771  5.47928      1.77971  5.47928      1.77971  1.63394     270         1.77576     90.0002     
1 1 1 2  0  40 o 114.44  2.36899 71.6586      4.16665  71.6586      4.16665  113.52      1.6537e-10  21.9595     1.6537e-10  
1 1 1 2  0  41 o 89.7199 2.95379 44.3117      4.0607   44.3117      4.0607   92.0262     90          23.659      90          
1 1 1 2  0  42 o 210.307 2.26703 241.757      7.33794  241.757      7.33794  209.365     360         43.6771     360         
1 1 1 2  0  43 f 269.623 2.26773 397.566      9.41239  397.566      9.41239  207.015     270         0           0           
1 1 1 2  0  44 o 11.2755 5.13948 0.0684918    2.06496  0.0684918    2.06496  9.66127     180         26.685      180         
1 1 1 2  0  45 o 8.72399 4.12732 -0.505273    1.53446  -0.505273    1.53446  5.59945     270         14.2292     270         
1 1 1 2  0  46 o 11.628  4.84893 0.894074     1.48272  0.894074     1.48272  14.0515     360         43.0496     360         
1 1 1 2  0  47 o 34.2595 3.69523 6.93757      1.81505  6.93757      1.81505  40.0855     270         24.8452     270         
1 1 1 2  0  48 o 8.26278 3.93224 -0.547995    1.43083  -0.547995    1.43083  17.3556     180         43.5038     180         
1 1 1 2  0  49 o 12.4834 5.05768 1.17675      1.54055  1.17675      1.54055  0.576876    270         7.70402     89.9999     
1 1 1 2  0  50 o 20.2742 6.04043 3.34959      1.90022  3.34959      1.90022  9.85032     180         15.0293     8.65185e-06 
1 1 1 2  0  51 o 54.3296 2.7282  16.6118      2.25551  16.6118      2.25551  50.0679     90          5.62073     90          
1 1 1 2  0  52 o 8.95465 4.20269 -0.284251    1.53738  -0.284251    1.53738  4.62923     8.65747e-06 14.6579     8.65747e-06 
1 1 1 2  0  53 o 13.704  5.40162 1.58752      1.69457  1.58752      1.69457  0.145634    270         16.9159     90          
1 1 1 2  0  54 o 6.85261 3.44216 -1.9189      1.54947  -1.9189      1.54947  1.44286     180         3.79007     180         
1 1 1 2  0  55 o 8.79644 4.20432 -0.543361    1.66985  -0.543361    1.66985  0.482491    270         2.52374     270         
1 1 1 2  0  56 o 28.9323 5.83324 6.09529      2.25166  6.09529      2.25166  34.4904     360         27.7607     360         
1 1 1 2  0  57 o 14.3254 5.99676 1.85733      2.28333  1.85733      2.28333  5.33101     90          3.51872     270         
1 1 1 2  0  58 o 13.5363 5.66692 1.66007      2.03936  1.66007      2.03936  1.364       180         0.100808    180         
1 1 1 2  0  59 o 10.9387 5.2493  -0.380873    2.65586  -0.380873    2.65586  0.787751    270         0.61237     90.0001     
1 1 1 2  0  60 o 16.1506 6.39247 2.83616      2.38528  2.83616      2.38528  9.06486     180         3.05362     180         
1 1 1 2  0  61 o 8.76882 4.27359 -0.81021     1.91692  -0.81021     1.91692  0.105198    270         2.03175     270         
1 1 1 2  0  62 o 17.3627 6.42684 3.31274      2.25822  3.31274      2.25822  9.61963     7.91002e-07 3.40834     180         
1 1 1 2  0  63 o 24.3805 6.24852 5.20615      2.15414  5.20615      2.15414  23.4019     90          10.4731     90          
1 1 1 2  0  64 o 15.7975 6.11154 2.93975      2.12421  2.93975      2.12421  8.21108     180         2.24345     180         
1 1 1 2  0  65 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  1  0  o 17.9952 2.3489  1.9332       0.585589 1.9332       0.585589 30.4925     6.45057e-05 63.8061     6.45057e-05 
1 1 1 2  1  1  o 183.707 1.8009  195.969      5.08975  171.975      5.08349  211.69      189.075     115.903     189.075     
1 1 1 2  1  2  o 410.036 1.984   925.986      11.5949  905.245      13.3746  284.819     231.208     193.442     51.2083     
1 1 1 2  1  3  o 648.483 2.32842 2304.83      19.0616  2275.84      26.7509  696.193     241.37      181.131     241.37      
1 1 1 2  1  4  o 438.05  1.99667 1058.59      12.4731  1031.44      14.3706  468.772     228.517     125.191     228.517     
1 1 1 2  1  5  o 392.428 1.90952 850.039      11.1419  827.287      11.9115  407.689     241.29      89.8992     241.29      
1 1 1 2  1  6  f 381.496 1.98858 797.456      10.8049  787.698      12.4879  265.99      277.984     0           0           
1 1 1 2  1  7  o 210.395 1.93132 222.191      6.23059  260.704      6.25591  262.658     339.924     175.714     339.924     
1 1 1 2  1  8  o 148.335 1.8111  122.081      4.13751  117.589      4.13527  92.717      10.0714     68.4422     190.071     
1 1 1 2  1  9  o 126.539 1.89129 85.031       3.55786  89.4042      3.813    30.2226     351.287     155.182     171.287     
1 1 1 2  1  10 o 366.622 1.84248 723.321      10.398   740.825      10.4047  379.09      66.8299     84.6902     66.8299     
1 1 1 2  1  11 o 167.036 1.973   152.778      5.42845  151.18       4.69876  131.385     120.602     23.2594     300.602     
1 1 1 2  1  12 o 295.982 1.98239 472.383      9.64235  482.046      8.36978  229.136     94.1327     82.4256     274.133     
1 1 1 2  1  13 o 168.333 1.89491 168.303      5.079    140.98       4.74006  156.24      187.316     33.2266     187.316     
1 1 1 2  1  14 o 386.776 1.85413 818.216      11.0446  811.263      11.0414  401.171     74.4207     93.5185     74.4207     
1 1 1 2  1  15 o 417.225 1.86457 932.676      11.9719  963.447      11.9849  343.226     101.865     82.4363     281.865     
1 1 1 2  1  16 o 730.217 1.95567 2854.03      21.9678  2953.9       22.0093  745.957     26.6425     136.936     26.6425     
1 1 1 2  1  17 o 212.283 1.84757 246.686      6.03963  244.105      6.03942  211.83      264.967     52.6441     264.967     
1 1 1 2  1  18 o 506.028 1.89049 1378.59      14.7229  1410.28      14.7382  522.244     105.754     111.669     105.754     
1 1 1 2  1  19 o 245.773 1.98361 327.14       7.50566  330.744      7.50866  239.99      111.624     40.5267     111.624     
1 1 1 2  1  20 o 375.74  2.3621  794.052      13.6818  744.18       13.6428  423.258     144.077     162.881     144.077     
1 1 1 2  1  21 o 159.548 2.18497 140.761      5.37159  136.528      5.36398  93.0602     229.269     86.2136     49.2689     
1 1 1 2  1  22 o 347.413 2.17103 651.199      11.6122  663.535      11.6162  306.27      76.6748     16.8385     256.675     
1 1 1 2  1  23 o 138.234 2.76104 107.581      5.88505  100.85       5.85411  100.329     248.066     7.78044     248.066     
1 1 1 2  1  24 o 21.8013 4.48978 2.46695      1.59374  2.81323      1.60693  6.40301     197.478     13.4683     197.478     
1 1 1 2  1  25 o 212.351 2.02811 239.361      6.62863  251.984      6.63186  212.786     133.62      56.9986     133.62      
1 1 1 2  1  26 o 125.507 2.02401 82.7618      4.03097  88.9206      3.77538  106.073     261.396     11.3494     261.396     
1 1 1 2  1  27 o 33.946  2.96047 6.36904      1.51821  6.38865      1.51131  37.0216     188.716     100.44      188.716     
1 1 1 2  1  28 o 90.1834 2.11829 44.4676      2.84104  44.2757      3.03069  72.3688     215.154     26.3513     215.154     
1 1 1 2  1  29 o 153.275 1.92657 128.834      4.54775  127.218      4.54658  147.292     247.51      26.3873     247.51      
1 1 1 2  1  30 o 111.43  1.98845 67.2399      3.40636  68.1982      3.41208  102.643     83.2668     19.1385     83.2668     
1 1 1 2  1  31 o 124.939 1.96561 87.1819      3.78791  83.0197      3.7741   131.032     261.65      52.784      261.65      
1 1 1 2  1  32 o 166.536 1.99771 150.746      4.96243  151.655      5.27968  132.69      349.243     29.4255     169.243     
1 1 1 2  1  33 o 127.703 1.98286 90.2716      3.9014   87.5679      3.8965   128.368     269.418     37.617      269.418     
1 1 1 2  1  34 o 160.166 1.95529 137.36       4.81525  142.412      4.82881  111.458     238.867     62.4604     58.8665     
1 1 1 2  1  35 o 129.532 2.01389 87.5148      4.0141   95.5754      4.01406  143.608     116.336     63.3404     116.336     
1 1 1 2  1  36 o 137.908 2.07143 101.571      4.25769  105.943      4.54017  130.232     46.2413     18.7922     46.2413     
1 1 1 2  1  37 o 67.0609 2.39595 22.1208      2.44929  27.2496      2.46357  60.698      148.593     26.5424     148.593     
1 1 1 2  1  38 o 104.292 2.12077 59.2223      3.41673  59.6282      3.38785  101.138     20.7788     22.351      20.7788     
1 1 1 2  1  39 o 162.616 1.99848 148.99       5.01068  139.851      4.99486  155.914     65.7168     23.4602     65.7168     
1 1 1 2  1  40 f 205.623 2.1779  231.537      6.63336  230.767      7.14807  134.31      343.812     0           0           
1 1 1 2  1  41 o 47.1756 3.19094 13.3337      2.27859  11.4179      2.28766  36.1784     60.5737     7.50446     60.5737     
1 1 1 2  1  42 o 189.843 2.29329 188.776      6.68697  206.514      6.71215  179.53      296.954     23.0361     296.954     
1 1 1 2  1  43 o 108.639 2.72807 65.9667      4.59336  64.2381      4.51992  81.1649     351.439     28.1409     171.439     
1 1 1 2  1  44 o 22.4053 4.95446 3.35951      1.70846  2.16766      2.20213  2.35362     355.126     25.4401     175.126     
1 1 1 2  1  45 o 15.2371 4.36884 0.715117     1.61475  0.54856      1.5801   0.191484    89.2542     9.16806     89.2542     
1 1 1 2  1  46 o 108.752 2.16788 68.8688      3.73966  61.7361      3.5147   117.941     97.8752     46.1659     97.8752     
1 1 1 2  1  47 o 13.664  4.09684 0.22477      1.50997  0.128517     1.48073  1.69784     63.1143     13.4293     63.1143     
1 1 1 2  1  48 o 61.3163 2.52135 22.4629      2.36533  19.5406      2.36589  61.3863     59.0726     18.3091     59.0726     
1 1 1 2  1  49 o 49.3809 2.83641 12.3582      2.10599  15.247       2.15519  44.5209     207.781     5.2394      207.781     
1 1 1 2  1  50 o 36.2738 3.57    7.48856      1.97149  7.89493      1.90413  39.5072     288.858     20.7745     288.858     
1 1 1 2  1  51 o 36.0916 3.58141 7.65568      1.94181  7.69407      1.92958  31.5094     290.562     4.28302     290.562     
1 1 1 2  1  52 o 18.8583 4.61478 2.68907      1.65772  1.36157      1.6873   8.41688     87.4539     0.729316    267.454     
1 1 1 2  1  53 o 41.7241 3.30224 8.73641      2.04263  11.807       2.08635  37.4937     91.3763     6.38083     91.3763     
1 1 1 2  1  54 o 16.9268 4.64516 1.91768      1.80519  1.00438      1.68136  5.81879     188.038     0.682575    8.03798     
1 1 1 2  1  55 o 13.2071 4.15478 -0.170459    1.63547  -0.0198812   1.76192  3.15019     278.658     5.63511     98.6582     
1 1 1 2  1  56 o 15.0062 4.47956 0.210535     1.79667  1.227        1.79136  6.80596     122.738     3.78115     302.738     
1 1 1 2  1  57 o 14.5962 4.49597 1.08925      1.93189  -0.301379    1.91365  3.34379     104.295     1.04131     284.295     
1 1 1 2  1  58 o 16.8774 5.03841 1.91274      2.1323   0.857608     2.43247  9.79055     89.1665     2.44848     269.167     
1 1 1 2  1  59 o 19.9306 5.43855 5.10039      2.75117  0.967465     2.19348  10.9554     343.324     8.15427     163.324     
1 1 1 2  1  60 o 13.1876 4.30479 0.425857     1.8127   -1.8431      2.48015  2.25923     71.4629     0.320417    251.463     
1 1 1 2  1  61 o 12.9298 4.19064 -1.17969     2.01892  0.578132     1.85064  2.48226     62.2454     0.587957    242.245     
1 1 1 2  1  62 o 12.5832 4.13558 -0.892965    1.93448  0.0146304    1.94544  0.695928    17.7964     2.44263     197.796     
1 1 1 2  1  63 o 32.343  4.71595 9.25404      2.27992  6.7026       2.26618  25.9806     24.6462     1.99233     24.6462     
1 1 1 2  1  64 o 23.1918 5.44168 4.8357       2.24018  5.48456      2.3007   16.0763     301.859     2.24539     121.859     
1 1 1 2  2  0  o 469.556 2.13324 1200.71      15.4233  1200.71      15.4233  598.96      180         316.389     180         
1 1 1 2  2  1  o 154.02  1.94401 128.677      4.92885  129.688      4.26594  18.6339     18.198      238.092     198.198     
1 1 1 2  2  2  o 721.901 1.92813 2851.13      21.4587  2824.81      21.4092  766.976     44.4929     184.808     44.4929     
1 1 1 2  2  3  o 654.622 1.96534 2342.35      20.4752  2324.95      19.1298  636.826     346.414     51.0011     346.414     
1 1 1 2  2  4  o 372.731 1.832   763.411      10.5129  749.698      10.5165  381.356     343.634     74.942      343.634     
1 1 1 2  2  5  o 520.766 1.86681 1496.72      14.9759  1457.06      14.9629  438.06      323.572     94.0601     143.572     
1 1 1 2  2  6  o 212.802 1.94217 236.507      5.90736  256.926      6.81819  223.799     329.76      73.612      329.76      
1 1 1 2  2  7  o 168.229 1.95072 147.489      4.69218  160.905      5.41313  173.511     328.73      70.3848     328.73      
1 1 1 2  2  8  o 353.953 1.8358  694.543      10.0091  670.115      10.0007  284.681     37.1061     83.5876     217.106     
1 1 1 2  2  9  o 345.19  1.83787 621.298      9.75338  677.192      9.77238  354.129     336.08      75.6444     336.08      
1 1 1 2  2  10 o 379.538 1.99115 776.383      10.7721  792.908      12.458   350.95      338.273     2.73396     338.273     
1 1 1 2  2  11 o 210.042 1.9481  232.248      6.2882   248.513      6.30905  127.639     259.716     121.4       79.7162     
1 1 1 2  2  12 o 180.27  1.83776 186.445      5.10212  167.808      5.09096  171.678     141.27      38.2364     141.27      
1 1 1 2  2  13 f 366.905 1.85036 720.5        10.4476  746.021      10.459   239.932     16.4353     0           0           
1 1 1 2  2  14 f 247.48  1.83532 333.208      6.9939   333.895      6.99457  195.729     283.224     0           0           
1 1 1 2  2  15 o 123.193 1.91229 92.9583      3.75167  72.9453      3.49074  79.8716     51.2811     32.7659     51.2811     
1 1 1 2  2  16 o 436.369 2.01958 1035.39      14.4944  1038.54      12.5762  429.154     315.978     55.7255     315.978     
1 1 1 2  2  17 o 219.085 1.91622 257.726      6.66605  265.047      6.24986  197.717     185.837     7.62243     185.837     
1 1 1 2  2  18 o 255.89  1.85745 357.856      7.32     355.277      7.31817  157.795     3.45563     148.574     183.456     
1 1 1 2  2  19 o 172.032 2.16493 167.194      5.73948  155.263      5.72543  111.235     105.154     78.9179     285.154     
1 1 1 2  2  20 o 553.38  2.04546 1659.39      17.4285  1675.99      17.4318  489.453     182.559     40.7508     2.55909     
1 1 1 2  2  21 o 565.307 2.12722 1696.61      17.7923  1784.8       19.2424  578.389     272.929     118.294     272.929     
1 1 1 2  2  22 o 324.186 2.3718  569.581      11.8407  575.309      11.8397  251.196     202.192     83.7435     22.1916     
1 1 1 2  2  23 o 152.553 2.22334 129.898      5.22781  123.662      5.21601  57.5363     13.3158     140.398     193.316     
1 1 1 2  2  24 o 201.291 2.02484 223.362      6.28046  218.044      6.27159  175.092     315.609     3.72676     315.609     
1 1 1 2  2  25 f 138.625 2.16424 106.918      4.4301   102.485      4.79339  149.93      288.604     0           0           
1 1 1 2  2  26 o 272.559 2.02227 407.757      8.48855  401.687      8.48649  299.152     38.9352     110.053     38.9352     
1 1 1 2  2  27 o 211.784 1.89618 250.437      6.18994  238.359      6.17541  242.709     230.508     112.437     230.508     
1 1 1 2  2  28 o 204.88  1.96764 230.766      6.01288  226.707      6.39306  196.769     35.9509     28.2627     35.9509     
1 1 1 2  2  29 o 51.9122 2.3865  15.3252      1.88726  14.1957      1.90454  10.7281     16.5573     36.459      196.557     
1 1 1 2  2  30 o 355.404 1.90244 681.555      10.4052  695.264      10.4176  352.486     211.689     60.1307     211.689     
1 1 1 2  2  31 o 43.2532 2.77491 11.1807      1.76285  9.44439      1.86985  2.14442     154.027     44.1331     154.027     
1 1 1 2  2  32 o 179.802 1.92787 173.502      5.33389  178.991      5.34081  161.433     184.657     4.12553     184.657     
1 1 1 2  2  33 o 100.455 2.10923 55.2958      3.16106  54.8635      3.35353  48.1612     341.485     77.0562     161.485     
1 1 1 2  2  34 o 107.415 2.03873 63.0421      3.36886  62.8887      3.36944  103.578     153.754     23.8688     153.754     
1 1 1 2  2  35 o 241.048 1.93102 322.567      7.1754   311.14       7.15852  173.145     349.162     86.8534     169.162     
1 1 1 2  2  36 o 227.8   1.93428 284.609      6.78989  281.412      6.78038  211.638     219.189     16.03       219.189     
1 1 1 2  2  37 o 112.123 2.09352 68.0883      3.61707  69.2092      3.60555  114.598     36.9401     36.9059     36.9401     
1 1 1 2  2  38 o 133.339 2.0402  93.3962      4.18145  100.76       4.19257  103.407     154.21      28.6003     334.21      
1 1 1 2  2  39 f 52.626  3.00064 14.3175      2.30892  16.2629      2.51454  57.439      238.055     0           0           
1 1 1 2  2  40 o 96.8705 2.45842 48.7924      3.64576  54.1418      3.6704   83.6089     121.535     0.246859    301.535     
1 1 1 2  2  41 o 126.288 2.12045 88.2189      4.00602  86.3074      4.23507  96.2359     213.191     29.3964     33.1914     
1 1 1 2  2  42 o 52.239  3.43738 16.0541      2.71783  14.3943      2.74     45.3402     288.033     8.70475     288.033     
1 1 1 2  2  43 o 63.1891 2.84852 21.2712      2.73617  22.9685      2.7766   61.8664     165.009     18.2557     165.009     
1 1 1 2  2  44 o 72.8803 2.50302 27.4673      2.79325  31.2875      2.79903  53.8863     6.52165     18.6017     186.522     
1 1 1 2  2  45 o 65.1447 2.733   22.0586      2.60607  25.1804      2.85435  55.1517     147.795     1.93981     327.795     
1 1 1 2  2  46 o 24.1252 4.5687  2.49122      1.7649   4.43062      1.77781  11.4525     118.07      11.2013     298.07      
1 1 1 2  2  47 o 78.3013 2.29787 31.8469      2.74607  36.2016      2.77612  79.5464     272.986     24.0105     272.986     
1 1 1 2  2  48 o 19.0714 4.50848 1.7089       1.56719  2.36412      1.56398  3.31006     18.7782     19.8438     198.778     
1 1 1 2  2  49 o 39.1476 3.24856 8.10363      1.90664  9.49928      1.9248   39.7685     62.6716     15.2578     62.6716     
1 1 1 2  2  50 o 15.2525 4.32247 1.31809      1.58696  0.22986      1.55045  1.98694     214.311     16.5197     34.3106     
1 1 1 2  2  51 o 52.8355 2.86407 16.3067      2.36295  15.5585      2.26228  54.0137     124.885     19.243      124.885     
1 1 1 2  2  52 o 17.0577 4.40715 -0.247795    1.67143  2.70923      1.67664  5.3004      88.2698     2.28995     268.27      
1 1 1 2  2  53 o 12.864  4.0342  -1.14103     1.62507  0.400662     1.62842  0.129325    46.7318     0.88673     226.732     
1 1 1 2  2  54 o 13.0538 4.09148 0.226775     1.62963  -0.57091     1.66024  1.46112     312.978     6.50516     132.978     
1 1 1 2  2  55 o 58.9532 2.9448  19.6096      2.6612   21.2888      2.64598  59.7989     290.485     20.2479     290.485     
1 1 1 2  2  56 o 50.7936 3.51852 18.4537      2.68132  13.3181      2.67386  51.5413     14.5123     18.2463     14.5123     
1 1 1 2  2  57 o 42.9512 3.62262 10.1254      2.23018  13.0333      2.45884  46.7789     108.476     23.8849     108.476     
1 1 1 2  2  58 o 16.2097 4.72406 -2.00356     2.3856   2.89859      2.06545  9.71155     149.025     0.369686    149.025     
1 1 1 2  2  59 o 21.1408 5.27239 4.00332      2.06977  2.93395      2.2877   16.9085     64.266      3.36675     64.2659     
1 1 1 2  2  60 o 20.5235 5.42509 2.85661      2.26738  4.04397      2.37464  13.515      183.684     2.73277     3.68391     
1 1 1 2  2  61 o 16.3901 4.89833 0.324938     2.26929  2.65033      2.16254  8.7843      324.788     2.00681     324.788     
1 1 1 2  2  62 o 31.0851 4.96487 7.81124      2.27282  7.07849      2.37229  27.5277     189.945     8.39948     189.945     
1 1 1 2  2  63 o 37.8525 4.49636 10.7191      2.44499  10.3947      2.6014   37.6195     87.3104     16.4648     87.3104     
1 1 1 2  2  64 o 12.2078 4.05823 -0.385785    1.99098  -0.320859    1.91134  3.14495     48.0607     5.70743     228.061     
1 1 1 2  3  0  o 195.045 1.80158 207.243      5.40893  207.243      5.40893  166.009     360         143.987     360         
1 1 1 2  3  1  o 405.923 1.83177 935.218      11.4461  860.127      11.439   455.406     156.728     161.821     156.728     
1 1 1 2  3  2  o 486.397 1.85143 1303.61      13.8757  1273.12      13.8574  368.123     140.144     169.099     320.144     
1 1 1 2  3  3  o 396.839 1.82499 872.707      11.156   842.556      11.1462  482.07      61.0023     234.846     61.0023     
1 1 1 2  3  4  o 523.159 2.00761 1516.96      17.3227  1464.27      14.9766  589.475     2.37679     207.915     2.37679     
1 1 1 2  3  5  o 358.481 1.98516 682.459      11.6895  717.44       10.1275  336.048     49.535      11.7643     49.535      
1 1 1 2  3  6  o 316.923 1.82621 560.739      8.9143   533.372      8.90646  339.656     11.9023     101.45      11.9023     
1 1 1 2  3  7  o 327.786 1.89035 601.13       9.86101  569.365      9.22359  278.28      124.744     45.4776     304.744     
1 1 1 2  3  8  o 277.703 1.82324 421.641      7.79776  418.359      7.79563  333.416     54.9795     171.219     54.9795     
1 1 1 2  3  9  o 258.395 1.95135 380.794      7.77168  346.938      7.74573  210.309     62.5581     47.4633     242.558     
1 1 1 2  3  10 o 216.677 1.9588  249.938      6.06315  261.593      6.99373  129.21      165.971     131.252     345.971     
1 1 1 2  3  11 o 289.999 1.9816  457.133      8.20092  459.072      9.45542  172.488     168.894     185.585     348.894     
1 1 1 2  3  12 o 159.2   1.83323 139.696      4.49402  136.397      4.49383  137.71      279.213     13.3981     279.213     
1 1 1 2  3  13 o 269.581 1.84056 400.966      7.64154  390.664      7.63873  154.123     232.601     182.298     52.6014     
1 1 1 2  3  14 o 162.007 1.98224 140.176      4.57852  145.732      5.29813  131.532     210.566     7.3708      30.566      
1 1 1 2  3  15 o 373.63  1.92321 772.613      10.6876  747.925      11.4167  352.572     211.099     21.1954     211.099     
1 1 1 2  3  16 o 392.067 1.86238 837.698      11.243   836.417      11.2448  384.832     300.403     51.4457     300.403     
1 1 1 2  3  17 o 332.506 1.85526 619.312      9.50607  585.024      9.48736  322.588     266.203     39.884      266.203     
1 1 1 2  3  18 o 379.393 2.15313 799.679      12.5849  768.219      12.5698  374.753     256.769     55.7228     256.769     
1 1 1 2  3  19 o 194.559 2.26547 200.026      7.07479  212.372      6.46316  190.824     45.5957     45.3546     45.5957     
1 1 1 2  3  20 o 347.988 2.01854 660.653      11.556   658.288      10.0257  314.437     313.081     3.68313     133.081     
1 1 1 2  3  21 o 316.204 2.36726 528.737      11.518   560.662      11.5282  353.863     331.427     143.315     331.427     
1 1 1 2  3  22 o 91.1731 2.72138 42.832       3.97797  47.9716      3.60587  75.5264     21.7358     296.061     21.7358     
1 1 1 2  3  23 o 216.114 2.0232  253.765      6.73178  255.004      6.73431  207.387     275.171     45.9209     275.171     
1 1 1 2  3  24 o 124.83  2.1847  82.2148      4.34843  87.6568      4.02657  93.8546     196.576     25.56       196.576     
1 1 1 2  3  25 f 199.493 2.02688 217.63       6.22458  215.968      6.22835  152.833     275.278     0           0           
1 1 1 2  3  26 o 71.0588 2.33383 32.7297      2.53032  22.8637      2.50461  25.1152     14.09       15.0009     194.09      
1 1 1 2  3  27 o 138.429 2.15913 110.828      4.79879  98.216       4.40897  120.15      63.4929     3.75357     63.493      
1 1 1 2  3  28 o 85.3356 2.04847 41.7835      2.68653  37.7311      2.68412  66.6618     209.688     24.504      209.688     
1 1 1 2  3  29 o 41.1529 2.64606 9.28005      1.6612   9.34652      1.65579  25.4352     298.186     104.88      298.186     
1 1 1 2  3  30 o 118.95  1.97167 74.9139      3.60504  79.3588      3.61601  116.328     85.5041     33.1715     85.5041     
1 1 1 2  3  31 o 113.215 1.99088 70.5174      3.47201  69.2751      3.46676  99.2222     206.978     8.28557     206.978     
1 1 1 2  3  32 o 124.135 1.9783  83.1745      3.78487  84.8504      3.77797  122.053     188.246     33.4272     188.246     
1 1 1 2  3  33 o 165.414 1.94412 149.404      4.95692  148.954      4.94717  149.601     236.015     6.39563     236.015     
1 1 1 2  3  34 o 104.835 2.16043 64.1368      3.3547   55.999       3.58162  87.2847     93.1428     6.05097     273.143     
1 1 1 2  3  35 o 104.252 2.0748  59.6455      3.32756  59.007       3.32734  59.892      228.904     61.6709     48.9039     
1 1 1 2  3  36 o 129.462 2.0293  91.3747      4.05442  91.4806      4.03666  129.488     107.026     34.3137     107.026     
1 1 1 2  3  37 o 68.3259 2.48891 27.7965      2.6981   23.4317      2.51936  63.1824     309.357     22.8827     309.357     
1 1 1 2  3  38 o 124.565 2.18598 85.7825      4.20231  83.7467      4.18028  137.09      3.55584     57.2815     3.55584     
1 1 1 2  3  39 o 42.6344 3.43339 10.6326      2.2002   9.60288      2.22074  17.5966     223.461     29.7937     43.4611     
1 1 1 2  3  40 o 53.085  2.83385 15.1302      2.28912  15.9631      2.30887  45.3615     10.2761     13.3576     10.2761     
1 1 1 2  3  41 o 38.1792 3.69646 8.04307      2.2112   8.36239      2.00927  15.97       224.779     22.967      44.7792     
1 1 1 2  3  42 o 40.4964 3.83558 8.59512      2.42853  9.94923      2.19311  21.5347     344.376     19.3501     164.376     
1 1 1 2  3  43 o 42.6059 3.36759 12.3315      2.13666  8.25177      2.12472  31.705      153.403     4.04383     333.403     
1 1 1 2  3  44 o 42.0267 3.3352  9.65798      2.20892  10.2485      2.01862  31.9799     0.313038    5.13589     180.313     
1 1 1 2  3  45 o 12.6875 3.96176 -0.185807    1.51769  -0.571774    1.52298  7.25753     338.987     26.4413     338.987     
1 1 1 2  3  46 o 14.9265 4.21933 1.63745      1.60212  -0.988248    1.59206  0.0284027   173.137     8.66612     353.137     
1 1 1 2  3  47 o 55.4967 2.74008 17.8103      2.41081  16.695       2.24357  52.3648     248.766     10.7505     248.766     
1 1 1 2  3  48 o 33.5915 3.6008  6.18667      1.79118  6.91263      1.81393  22.3738     246.842     9.96302     66.8422     
1 1 1 2  3  49 o 49.199  2.81764 13.8757      2.12154  13.4752      2.11107  49.0799     265.311     14.9485     265.311     
1 1 1 2  3  50 o 67.231  2.54396 24.8664      2.54366  25.9823      2.70462  59.4048     131.487     3.35025     131.487     
1 1 1 2  3  51 o 14.7499 4.29902 0.382582     1.57802  0.856706     1.58778  0.56108     165.111     16.35       345.111     
1 1 1 2  3  52 o 16.0034 4.47672 1.2299       1.63151  0.937322     1.64224  3.89834     201.647     8.83975     21.6475     
1 1 1 2  3  53 o 37.4999 3.55144 8.658        2.01018  8.1341       1.9872   32.3938     114.132     3.86718     114.132     
1 1 1 2  3  54 o 27.835  4.42261 7.29458      1.93892  2.95731      1.9038   22.5559     177.301     2.3259      177.301     
1 1 1 2  3  55 o 24.0028 5.0635  5.20784      2.07499  2.7645       2.11996  21.2554     12.1688     8.64906     12.1688     
1 1 1 2  3  56 o 25.45   4.95076 5.25582      2.02051  3.82086      2.02504  23.8836     312.75      11.0201     312.75      
1 1 1 2  3  57 o 19.819  5.257   2.88619      2.30019  2.61722      2.04127  12.5802     90.9586     1.30116     270.959     
1 1 1 2  3  58 o 18.4283 5.13297 3.01431      2.16954  1.47655      2.19771  13.5527     143.123     4.67862     143.123     
1 1 1 2  3  59 o 21.1714 5.19324 3.55317      2.07001  3.43495      2.06469  17.2611     307.994     4.46064     307.994     
1 1 1 2  3  60 o 23.862  5.15448 6.93294      2.39461  2.3166       2.11731  21.9505     103.212     10.6836     103.212     
1 1 1 2  3  61 o 14.6645 4.64486 0.865678     1.97636  0.390328     2.3825   6.13204     225.504     0.829712    45.5037     
1 1 1 2  3  62 o 22.7171 5.34315 4.38006      2.25874  4.41848      2.11851  15.4917     98.3701     4.79583     98.3701     
1 1 1 2  3  63 o 16.8881 4.91807 3.0864       2.16874  1.22531      2.03064  7.04165     322.847     1.04807     142.847     
1 1 1 2  3  64 o 13.376  4.43312 1.20748      2.51458  -0.947732    2.01641  4.08403     248.572     0.38881     68.5718     
1 1 1 2  4  0  o 212.434 1.80004 245.827      5.88649  245.827      5.88649  217.323     360         36.9546     360         
1 1 1 2  4  1  o 206.89  1.86725 247.169      5.73405  219.434      6.11877  107.486     233.597     158.315     53.5972     
1 1 1 2  4  2  o 77.2342 1.87629 31.7613      2.29999  33.2934      2.14926  32.587      18.4597     181.465     18.4597     
1 1 1 2  4  3  o 256.558 1.93475 362.014      7.64436  354.919      7.64233  218.877     325.595     27.1715     145.595     
1 1 1 2  4  4  o 481.31  1.97844 1313.24      14.6737  1211.04      14.6367  367.257     33.3149     159.09      213.315     
1 1 1 2  4  5  o 354.002 1.89741 672.484      10.6798  692.55       9.98291  330.55      0.188067    10.6826     0.188067    
1 1 1 2  4  6  o 223.082 1.81648 269.724      6.23887  272.33       6.24105  155.363     154.647     90.7198     334.647     
1 1 1 2  4  7  o 37.6126 2.02359 6.52795      1.10759  9.07818      1.20836  44.3639     279.113     108.455     279.113     
1 1 1 2  4  8  o 179.525 1.98259 165.062      5.82367  186.364      5.04837  200.032     247.457     138.59      247.457     
1 1 1 2  4  9  o 43.4209 2.11279 12.3419      1.51222  8.47838      1.29081  80.1118     359.029     203.344     359.029     
1 1 1 2  4  10 o 361.758 1.84469 686.362      10.2623  739.76       10.2798  271.858     327.182     121.301     147.182     
1 1 1 2  4  11 o 325.15  1.84038 585.032      9.21909  566.695      9.20875  245.445     93.0832     103.928     273.083     
1 1 1 2  4  12 o 319.751 1.84242 542.938      9.06419  570.893      9.07523  351.575     247.945     125.637     247.945     
1 1 1 2  4  13 o 494.989 1.87678 1335.95      14.3063  1332.73      14.3044  431.761     80.2208     49.9608     260.221     
1 1 1 2  4  14 o 57.8408 2.0922  16.6868      1.72364  19.9198      1.99416  23.1349     266.81      91.1138     266.81      
1 1 1 2  4  15 o 478.688 2.03046 1252.18      13.8679  1243.51      15.9838  416.625     155.387     48.771      335.387     
1 1 1 2  4  16 o 557.034 1.96547 1723.43      17.4363  1656.28      16.2804  605.338     141.023     184.372     141.023     
1 1 1 2  4  17 o 395.264 2.15473 847.802      13.116   853.848      13.114   345.817     195.191     32.8024     15.1907     
1 1 1 2  4  18 o 647.521 2.34014 2266.32      22.2379  2300.74      24.395   672.263     262.85      150.168     262.85      
1 1 1 2  4  19 o 165.882 1.95888 151.236      4.8348   148.47       5.16399  58.4365     120.728     173.95      300.728     
1 1 1 2  4  20 o 114.397 2.26003 72.5956      3.98122  70.076       3.97267  66.6351     172.954     24.815      352.954     
1 1 1 2  4  21 o 265.744 2.17174 376.34       8.87952  392.995      8.89187  244.145     39.3886     17.7329     39.3886     
1 1 1 2  4  22 o 296.861 2.00429 491.193      9.17092  468.872      9.15044  237.742     207.733     55.1745     27.7328     
1 1 1 2  4  23 o 174.228 2.11485 161.815      5.87672  168.917      5.45217  153.225     228.471     19.0351     228.471     
1 1 1 2  4  24 o 130.781 2.43705 91.7838      5.50606  94.6921      4.19187  63.875      256.329     89.02       76.3291     
1 1 1 2  4  25 o 91.7147 2.46576 45.9072      3.61136  45.9024      3.33516  35.7242     315.69      68.6325     135.69      
1 1 1 2  4  26 o 39.5821 2.89518 7.56677      1.71606  9.77364      1.73952  17.2135     277.337     58.57       277.337     
1 1 1 2  4  27 o 314.113 2.02572 537.627      9.79995  537.682      9.79683  332.519     192.992     97.3297     192.993     
1 1 1 2  4  28 f 188.453 2.04603 191.814      5.93627  195.305      5.93844  152.793     124.553     0           0           
1 1 1 2  4  29 o 154.976 1.926   135.617      4.60533  126.252      4.58362  150.371     14.1277     29.6159     14.1277     
1 1 1 2  4  30 o 103.419 2.07618 57.183       3.40484  59.5356      3.19238  86.4244     339.517     1.88818     339.517     
1 1 1 2  4  31 f 133.844 1.9624  96.6754      4.04066  98.6432      4.0483   112.753     275.536     0           0           
1 1 1 2  4  32 o 97.1961 2.05996 52.1701      3.07687  50.9501      3.08212  89.0463     93.2362     20.3235     93.2362     
1 1 1 2  4  33 f 126.038 1.99792 87.2715      3.87738  85.9711      3.87776  131.604     340.774     0           0           
1 1 1 2  4  34 o 153.323 1.97858 124.518      4.66255  131.921      4.67786  143.035     26.0522     15.3933     26.0522     
1 1 1 2  4  35 o 49.4461 2.65696 13.8327      2.00976  13.0299      2.00471  15.9384     209.948     40.286      29.9481     
1 1 1 2  4  36 o 53.4451 2.64378 16.0013      2.17194  15.363       2.1519   22.1864     199.624     8.49639     199.624     
1 1 1 2  4  37 o 93.1106 2.24067 52.0908      3.33231  42.9055      3.08039  48.4626     303.568     64.568      123.568     
1 1 1 2  4  38 o 27.1236 4.64782 4.9457       1.93335  3.51509      1.93173  9.34796     310.482     53.6714     310.482     
1 1 1 2  4  39 o 206.695 2.09256 233.855      6.66302  233.004      6.65771  183.506     330.536     0.261275    150.534     
1 1 1 2  4  40 o 37.4962 3.5926  6.93445      2.02004  8.90351      1.98683  16.0532     6.96055     92.0369     6.96055     
1 1 1 2  4  41 o 14.777  4.40555 -0.61154     1.75304  0.721415     1.73977  4.15866     59.4323     11.1067     59.4323     
1 1 1 2  4  42 o 108.73  2.09308 64.0758      3.49543  65.5774      3.50677  98.7149     330.779     7.88852     330.779     
1 1 1 2  4  43 o 66.2264 2.65499 23.2834      2.78368  25.2485      2.59375  59.8864     75.0288     7.19363     75.0288     
1 1 1 2  4  44 o 17.2978 4.54135 0.852526     1.72959  1.75651      1.54903  2.25348     217.14      25.83       217.14      
1 1 1 2  4  45 o 42.5139 3.58993 12.8607      2.22491  7.98749      2.24735  32.8209     176.792     4.77218     356.792     
1 1 1 2  4  46 o 30.2164 4.33456 5.29497      1.83599  5.51641      2.05878  22.3376     224.483     0.899759    44.483      
1 1 1 2  4  47 o 35.6033 3.73666 7.07794      1.97955  7.62109      1.99163  29.7038     16.3912     2.60175     16.3912     
1 1 1 2  4  48 o 24.1723 4.39608 3.60422      1.65882  3.44532      1.63252  17.7447     281.479     5.36395     281.479     
1 1 1 2  4  49 o 53.5857 2.7198  16.6842      2.21956  15.6905      2.23664  55.3894     152.711     19.6871     152.711     
1 1 1 2  4  50 o 35.0127 3.74368 5.53948      1.89955  9.15638      1.91467  21.1824     159.618     15.7591     339.618     
1 1 1 2  4  51 o 15.344  4.425   0.552947     1.67396  1.0069       1.63615  3.24949     30.2742     7.78648     210.274     
1 1 1 2  4  52 o 47.8047 3.00145 13.6062      2.18009  12.7483      2.19032  38.3114     120.781     3.34427     300.781     
1 1 1 2  4  53 o 46.5353 3.0954  12.283       2.18433  13.0116      2.19853  43.9441     190.527     10.7799     190.527     
1 1 1 2  4  54 o 34.277  4.14478 7.93286      2.0973   6.88424      2.1128   28.1295     79.6758     0.81776     79.6757     
1 1 1 2  4  55 o 34.831  4.24181 7.75135      2.15929  7.88163      2.22661  34.2758     5.96596     12.2856     5.96596     
1 1 1 2  4  56 o 28.2106 4.89582 7.35233      2.02989  3.76364      2.43037  23.9849     256.662     4.07245     256.662     
1 1 1 2  4  57 o 53.4012 3.93231 20.1897      3.04632  16.3934      3.24181  51.7118     161.09      14.6398     161.09      
1 1 1 2  4  58 o 23.7584 5.37614 3.52667      2.02044  5.3688       2.4445   15.6636     91.8971     5.8874      271.897     
1 1 1 2  4  59 o 22.0693 5.22652 3.69177      2.05572  4.01138      2.12634  12.4272     154.066     9.10274     334.066     
1 1 1 2  4  60 o 24.1613 5.24229 5.79205      2.22773  3.70239      2.13717  13.6371     106.228     10.3113     286.228     
1 1 1 2  4  61 o 12.8304 4.24325 -0.981246    2.08329  -0.134976    2.09936  2.08396     179.417     10.3839     359.417     
1 1 1 2  4  62 o 15.8398 4.99178 3.23914      2.82149  -0.941202    2.16159  3.00241     64.2134     2.61829     244.213     
1 1 1 2  4  63 o 13.4592 4.37902 0.817204     2.19424  -0.29101     1.97507  2.85906     127.909     4.79042     307.909     
1 1 1 2  4  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  5  0  o 21.5967 2.24294 2.69895      0.698858 2.69895      0.698858 71.4777     1.03618e-05 151.426     1.03618e-05 
1 1 1 2  5  1  o 403.48  1.82862 900.522      11.3673  872.755      11.3538  387.827     300.825     32.5301     300.825     
1 1 1 2  5  2  o 332.24  1.87769 604.467      9.92781  597.866      9.27754  295.106     167.206     18.2402     347.206     
1 1 1 2  5  3  o 105.812 1.94396 56.9227      3.15803  65.2199      3.16285  28.8953     134.251     109.194     314.251     
1 1 1 2  5  4  o 246.659 1.94052 327.407      7.07626  335.352      7.65965  202.702     196.541     39.0552     16.5412     
1 1 1 2  5  5  o 359.165 2.22732 675.867      12.8281  730.084      11.7285  353.302     159.167     48.8697     159.167     
1 1 1 2  5  6  o 159.925 1.9397  139.941      4.77723  138.679      4.77639  148.164     300.566     35.3578     300.566     
1 1 1 2  5  7  o 212.932 1.82641 218.827      5.94771  276.781      5.9705   215.212     186.806     59.463      186.806     
1 1 1 2  5  8  o 19.7407 2.47696 1.44869      0.708458 3.04801      0.710883 13.8021     303.36      28.8806     303.36      
1 1 1 2  5  9  o 31.6996 2.21626 3.85892      1.01432  7.5053       1.01985  16.3799     103.751     37.2462     103.751     
1 1 1 2  5  10 o 142.793 1.8323  121.685      4.02323  100.903      4.00948  124.078     85.6796     34.7636     85.6796     
1 1 1 2  5  11 f 394.185 1.91381 856.851      12.0171  835.727      11.2114  296.754     340.689     0           0           
1 1 1 2  5  12 o 330.843 1.91435 575.759      10.0488  616.789      9.41619  347.982     170.848     97.0484     170.848     
1 1 1 2  5  13 o 461.36  2.01853 1173.93      15.3521  1144.5       13.2785  335.007     317.534     179.975     137.534     
1 1 1 2  5  14 o 993.028 2.14157 5319.12      33.796   5421.5       31.6414  984.775     190.966     129.325     190.966     
1 1 1 2  5  15 o 283.289 1.90871 426.82       8.0459   447.328      8.60719  300.769     197.696     93.7708     197.696     
1 1 1 2  5  16 o 224.302 1.98362 270.105      6.84807  277.872      6.85382  206.732     155.461     16.4251     155.461     
1 1 1 2  5  17 o 511.248 2.28651 1437.57      18.8182  1409.45      17.1605  505.119     146.466     70.8847     146.466     
1 1 1 2  5  18 o 239.289 1.92774 316.714      6.86935  306.956      7.32172  163.369     39.2941     102.154     219.294     
1 1 1 2  5  19 o 176.84  2.29016 175.519      5.95114  165.199      6.48944  111.539     18.0553     82.2063     198.055     
1 1 1 2  5  20 o 253.253 2.16562 347.961      8.44397  350.665      8.44703  279.016     53.8604     119.122     53.8604     
1 1 1 2  5  21 o 201.271 1.96136 221.597      5.86791  219.653      6.28107  193.241     284.114     51.4766     284.114     
1 1 1 2  5  22 f 125.779 2.20396 84.7437      3.75575  87.6816      4.73588  123.491     225.702     0           0           
1 1 1 2  5  23 o 174.874 2.11588 171.509      5.47214  161.731      5.89917  181.736     128.007     82.5407     128.007     
1 1 1 2  5  24 o 203.858 1.95952 226.825      6.3386   225.941      5.95883  162.915     303.717     33.2516     123.717     
1 1 1 2  5  25 o 201.138 2.11497 218.016      6.79279  222.853      6.29294  175.882     40.7151     4.48155     220.715     
1 1 1 2  5  26 o 74.5752 2.44387 26.8812      2.77656  34.0938      2.79236  10.9105     231.851     94.1976     51.8512     
1 1 1 2  5  27 o 243.421 2.01964 319.383      7.5645   326.452      7.57585  238.536     357.151     40.4442     357.151     
1 1 1 2  5  28 o 94.0382 2.38705 50.6334      3.73886  45.9811      3.1607   56.3723     291.851     44.2716     111.851     
1 1 1 2  5  29 o 253.817 2.05538 344.958      8.57346  357.44       7.43029  286.461     24.0909     118.811     24.0909     
1 1 1 2  5  30 o 59.1533 2.38871 20.1828      2.26008  18.139       2.07486  18.5375     115.958     1.73035     295.958     
1 1 1 2  5  31 o 58.5021 2.33339 20.7414      2.09255  16.8177      2.07791  1.21716     185.364     87.1188     5.36376     
1 1 1 2  5  32 f 85.1821 2.11087 39.9203      2.76586  39.3174      2.76318  80.0585     263.542     0           0           
1 1 1 2  5  33 o 162.854 1.94979 150.591      4.89821  138.752      4.87581  152.354     332.539     16.6478     332.539     
1 1 1 2  5  34 o 120.551 2.03177 80.1701      3.77194  78.3477      3.77109  98.1298     50.5887     13.7106     230.589     
1 1 1 2  5  35 o 191.076 1.95619 194.972      5.74668  203.316      5.76338  196.725     228.444     55.1272     228.444     
1 1 1 2  5  36 o 228.277 1.93761 285.165      6.8185   283.354      6.8037   220.632     133.489     34.8612     133.489     
1 1 1 2  5  37 o 90.844  2.49883 41.9064      3.47371  48.5506      3.49083  98.1643     301.869     44.8334     301.869     
1 1 1 2  5  38 o 96.4609 2.46183 50.2329      3.64963  51.6649      3.6514   47.1109     136.398     74.4275     316.398     
1 1 1 2  5  39 o 31.093  3.82505 5.58513      1.75953  5.37506      1.76989  4.65993     247.638     4.70929     67.6379     
1 1 1 2  5  40 o 68.5898 2.82636 24.8184      2.97148  27.0427      2.96854  49.1785     48.6653     16.38       228.665     
1 1 1 2  5  41 o 52.1673 2.87101 14.267       2.27604  15.8752      2.2959   32.3134     122.128     20.3934     302.128     
1 1 1 2  5  42 o 19.3356 4.39508 1.4937       1.49851  2.56987      1.51867  3.29157     63.6251     22.7761     63.6251     
1 1 1 2  5  43 o 102.684 2.34608 58.3825      3.84505  57.7683      3.56025  97.5632     83.2039     16.1837     83.2039     
1 1 1 2  5  44 o 86.4389 2.33157 40.8532      3.10208  41.643       3.09315  93.8183     39.8934     38.1376     39.8934     
1 1 1 2  5  45 o 96.8046 2.30798 50.9117      3.44113  52.6816      3.42894  94.091      73.7719     19.9659     73.7719     
1 1 1 2  5  46 o 45.7018 3.2407  12.4724      2.31611  11.2275      2.18395  28.9063     82.0834     19.2076     262.083     
1 1 1 2  5  47 o 66.0154 2.69009 22.904       2.46762  25.8969      2.97726  52.6238     60.4136     8.01943     240.414     
1 1 1 2  5  48 o 29.628  4.38108 5.89452      1.95418  4.69417      1.91721  12.1649     60.4965     24.1124     240.496     
1 1 1 2  5  49 o 28.619  4.14149 3.4393       1.77557  6.59007      1.76147  24.7421     301.015     4.38996     301.015     
1 1 1 2  5  50 f 16.9133 4.51076 1.23321      1.5988   1.58153      1.6115   19.6873     73.5517     0           0           
1 1 1 2  5  51 o 26.0177 4.3511  2.43822      1.7782   6.11979      1.81277  14.5289     327.845     11.2086     147.845     
1 1 1 2  5  52 o 26.7004 4.46162 3.35557      1.82272  5.69302      1.84406  16.2163     1.40515     8.61826     181.405     
1 1 1 2  5  53 o 16.722  4.61991 0.703098     1.74994  1.93538      1.75764  6.24081     329.642     4.60162     149.642     
1 1 1 2  5  54 o 32.9964 4.66649 5.2884       2.21234  9.22836      2.37151  16.7297     328.768     20.6708     148.768     
1 1 1 2  5  55 o 15.8321 4.53759 0.378183     1.75636  1.80308      1.76656  8.44778     129.632     0.557737    129.632     
1 1 1 2  5  56 o 26.5225 5.23297 7.7979       2.40706  2.23088      2.73287  19.5122     264.305     1.9191      84.3047     
1 1 1 2  5  57 o 14.7867 4.44021 -1.17472     1.81379  2.04521      1.95276  6.09545     243.31      5.33384     63.3101     
1 1 1 2  5  58 o 32.1082 4.67716 6.66685      2.34763  7.91603      2.11601  24.5868     280.129     2.96278     100.129     
1 1 1 2  5  59 o 22.167  5.30289 3.70615      2.30244  4.20494      2.04533  16.4417     260.937     0.197419    260.937     
1 1 1 2  5  60 o 11.4456 3.88023 -1.78406     2.10174  -1.24553     1.83576  0.889282    173.206     11.3258     353.206     
1 1 1 2  5  61 o 16.7414 4.79097 4.04506      2.27734  -1.36853     2.11885  7.32421     317.034     5.89114     137.034     
1 1 1 2  5  62 o 16.632  5.00868 1.30094      2.03893  2.50993      2.45403  2.15626     307.258     0.487169    127.258     
1 1 1 2  5  63 o 17.4359 5.21428 0.760819     2.27515  4.51774      2.68927  9.27522     240.345     0.89156     60.3451     
1 1 1 2  5  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  6  0  o 500.066 1.84717 1361.84      14.2232  1361.84      14.2232  558.885     180         185.737     180         
1 1 1 2  6  1  o 283.804 1.80584 424.783      7.88892  452.828      7.88903  223.972     120.445     67.3748     300.445     
1 1 1 2  6  2  o 97.4503 1.79893 54.166       2.69725  49.3746      2.69484  38.0031     172.876     54.8251     352.876     
1 1 1 2  6  3  o 178.058 1.93049 165.999      5.28788  179.52       5.29264  191.424     102.156     96.3589     102.156     
1 1 1 2  6  4  o 35.0556 2.56145 10.2169      1.25299  4.04112      1.23506  96.4226     48.7043     222.94      48.7043     
1 1 1 2  6  5  o 143.804 2.09675 107.327      4.63509  118.108      4.64354  108.179     279.644     16.7823     99.6439     
1 1 1 2  6  6  o 262.241 2.10728 355.037      8.49206  394.737      8.51024  221.415     111.999     29.0665     291.999     
1 1 1 2  6  7  o 252.455 2.11058 359.488      8.20719  335.087      8.19551  260.597     4.35618     73.6259     4.35618     
1 1 1 2  6  8  o 449.949 1.85373 1085.41      12.8389  1120.04      12.8468  544.084     65.0948     266.019     65.0948     
1 1 1 2  6  9  o 268.745 1.82574 375.492      7.54218  411.607      7.55777  239.614     65.7181     3.06604     245.718     
1 1 1 2  6  10 f 191.442 1.83396 189.393      5.39515  210.061      5.40763  183.74      177.678     0           0           
1 1 1 2  6  11 o 367.735 1.84255 727.855      10.43    745.025      10.4367  338.579     162.566     6.46643     162.566     
1 1 1 2  6  12 o 764.955 2.03216 3188.4       23.1339  3184.86      24.7146  779.822     25.5369     146.144     25.5369     
1 1 1 2  6  13 o 345.674 1.85196 663.745      9.8623   637.745      9.85095  366.245     305.286     106.076     305.286     
1 1 1 2  6  14 o 786.1   1.97764 3356.75      23.9383  3373.49      23.9406  754.168     50.1516     56.8773     50.1517     
1 1 1 2  6  15 o 358.383 1.98879 696.724      10.9747  702.135      10.9763  339.068     168.767     25.82       168.767     
1 1 1 2  6  16 o 217.676 2.14022 261.397      7.18039  254.707      7.16677  162.677     216.099     62.1725     36.0995     
1 1 1 2  6  17 o 32.741  3.35286 7.5424       1.87638  4.56814      1.4121   16.3225     327.71      38.0388     327.71      
1 1 1 2  6  18 o 83.6054 2.25623 41.8645      2.78935  34.5598      2.96869  11.0491     25.4192     14.5257     205.419     
1 1 1 2  6  19 o 113.343 2.2769  67.3733      3.96527  72.7292      3.97044  48.144      62.5296     69.2097     242.53      
1 1 1 2  6  20 o 429.153 2.01832 1001.64      13.3386  1004.46      13.3375  505.506     118.878     238.806     118.878     
1 1 1 2  6  21 o 175.507 1.90649 157.545      5.13399  178.299      5.15767  87.7721     90.1164     124.787     270.116     
1 1 1 2  6  22 f 291.978 1.94464 466.284      8.45213  462.412      9.02277  284.597     165.2       0           0           
1 1 1 2  6  23 o 290.659 2.20289 474.185      9.00497  446.552      10.5956  283.378     253.822     46.7807     253.822     
1 1 1 2  6  24 o 478.633 2.11829 1244.24      15.0006  1252.1       16.2052  405.46      124.006     61.0029     304.006     
1 1 1 2  6  25 o 86.0027 2.03415 41.7059      2.69212  39.0091      2.68603  36.6359     341.21      61.2333     161.21      
1 1 1 2  6  26 o 215.396 2.29493 252.032      7.23951  253.756      7.96925  204.744     55.5187     25.908      55.5187     
1 1 1 2  6  27 o 87.0399 2.48368 42.4337      3.1538   40.335       3.47254  63.9035     245.735     8.94693     65.7353     
1 1 1 2  6  28 o 96.793  2.09182 50.6066      2.99897  51.6307      3.22726  65.4088     98.9274     29.9434     278.927     
1 1 1 2  6  29 o 21.2324 4.23749 1.92613      1.46492  3.11473      1.47074  18.199      136.025     42.7584     136.025     
1 1 1 2  6  30 o 18.0502 4.18688 2.41891      1.46318  0.924836     1.30665  7.39318     105.809     16.5048     105.809     
1 1 1 2  6  31 o 89.9494 2.15892 43.4986      3.08833  44.8564      2.87602  59.6225     74.0443     29.6277     254.044     
1 1 1 2  6  32 o 56.5274 2.54791 15.5115      2.25871  19.6324      2.10757  31.0194     214.334     15.1423     34.334      
1 1 1 2  6  33 o 106.996 2.22843 62.1743      3.9248   62.8439      3.38724  108.209     94.5735     35.376      94.5735     
1 1 1 2  6  34 o 158.812 1.97463 131.709      4.8135   143.508      4.83891  136.284     272.831     7.55359     92.8313     
1 1 1 2  6  35 o 99.8275 2.12163 51.8732      3.24839  57.0375      3.26213  67.7738     243.502     35.6974     63.5016     
1 1 1 2  6  36 o 176.396 2.10844 168.178      5.7251   171.468      5.72886  138.638     305.759     35.2446     125.759     
1 1 1 2  6  37 o 125.283 2.34986 85.3236      4.5253   86.3303      4.53338  141.497     117.518     65.5765     117.518     
1 1 1 2  6  38 o 38.0972 3.28319 7.18969      1.88667  9.03216      1.85763  16.4009     98.9884     18.7077     278.988     
1 1 1 2  6  39 o 72.4445 2.76677 25.8624      3.0786   32.0351      3.03879  33.3529     175.578     56.7333     355.578     
1 1 1 2  6  40 o 90.9801 2.44048 47.2819      3.55259  43.6414      3.27456  90.0141     50.5432     25.1348     50.5432     
1 1 1 2  6  41 o 54.0725 2.59007 15.3778      2.14211  16.9211      2.14163  42.3279     199.968     3.22809     19.9677     
1 1 1 2  6  42 o 30.2238 3.85142 7.14667      1.70741  3.59072      1.68767  14.9539     283.423     11.7201     103.423     
1 1 1 2  6  43 o 97.7406 2.2381  55.9936      3.49537  49.3304      3.23422  87.1529     153.873     4.043       153.873     
1 1 1 2  6  44 o 37.1173 3.37535 7.87951      1.88315  7.76851      1.88597  35.0232     64.7801     12.8229     64.7801     
1 1 1 2  6  45 o 55.9614 2.70566 14.8669      2.34227  20.2845      2.22346  45.9471     172.361     3.13675     352.361     
1 1 1 2  6  46 o 47.146  3.31981 12.2272      2.37617  13.0526      2.37777  25.8945     88.5496     27.9904     268.55      
1 1 1 2  6  47 f 17.9998 4.66705 1.9017       1.67997  1.3168       1.72375  33.4568     93.167      0           0           
1 1 1 2  6  48 o 16.3435 4.585   1.05447      1.71239  0.983158     1.72658  3.37335     209.394     0.36572     29.3937     
1 1 1 2  6  49 o 50.7984 2.99674 14.0944      2.39868  15.3589      2.23016  36.6108     106.133     13.119      286.133     
1 1 1 2  6  50 o 58.7823 2.65556 20.3778      2.39737  18.8008      2.38234  53.0457     141.406     6.62917     141.406     
1 1 1 2  6  51 o 35.3713 3.66051 7.07018      1.93069  7.82238      1.93424  26.0495     160.728     5.27557     340.728     
1 1 1 2  6  52 o 47.2172 3.12988 13.024       2.20174  12.9513      2.29486  37.8778     143.723     2.87307     323.723     
1 1 1 2  6  53 f 42.4618 3.97717 10.1597      2.36661  12.1138      2.71058  23.9045     227.881     0           0           
1 1 1 2  6  54 o 42.4816 3.69204 11.312       2.30479  10.8904      2.41715  34.3391     186.398     1.81739     6.39807     
1 1 1 2  6  55 o 17.459  4.95533 0.60287      2.30559  2.32824      1.93536  9.43246     313.219     2.86104     313.219     
1 1 1 2  6  56 o 36.2502 4.4478  11.5256      2.35057  6.26092      2.32289  28.5427     177.98      1.64244     357.98      
1 1 1 2  6  57 f 22.8949 5.3733  3.90597      2.40756  4.1436       2.05136  14.743      25.2951     0           0           
1 1 1 2  6  58 o 21.827  5.10714 2.87793      2.10033  4.40631      1.99915  13.9603     68.8438     5.43197     248.844     
1 1 1 2  6  59 o 11.7004 3.89262 -0.658227    1.79498  -1.22204     1.81407  0.750035    275.841     0.611143    95.8413     
1 1 1 2  6  60 o 18.0941 5.01897 2.05563      2.04739  2.91352      2.05714  12.1344     174.798     2.74926     174.798     
1 1 1 2  6  61 o 16.3591 4.94683 2.06         2.07069  1.12396      2.43891  3.1598      150.363     0.197827    330.363     
1 1 1 2  6  62 o 16.0787 4.92405 1.19954      2.25511  2.00085      2.25488  1.71883     302.891     0.312376    122.891     
1 1 1 2  6  63 o 19.0021 5.14145 4.4533       2.12577  2.05233      2.37007  11.0922     114.307     3.99454     294.307     
1 1 1 2  6  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  7  0  o 8.70561 3.04242 0.60734      0.489454 0.60734      0.489454 10.2271     180         20.6222     180         
1 1 1 2  7  1  f 128.104 1.86229 91.7727      3.79634  87.0281      3.55145  100.684     349.167     0           0           
1 1 1 2  7  2  o 224.579 1.80106 272.282      6.22748  277.13       6.22929  192.996     78.7918     10.875      258.792     
1 1 1 2  7  3  o 83.4867 1.86247 40.7224      2.47691  35.3738      2.30596  0.498729    182.379     109.623     2.37913     
1 1 1 2  7  4  o 165.945 2.09864 160.794      5.35769  139.586      5.3485   144.104     150.689     13.3801     150.689     
1 1 1 2  7  5  o 308.312 2.10984 517.666      10.0169  517.88       10.0167  320.427     222.27      86.1843     222.27      
1 1 1 2  7  6  o 478.263 2.14995 1250.18      15.8363  1241.62      15.8311  503.377     295.318     130.094     295.318     
1 1 1 2  7  7  o 164.269 2.11345 150.741      5.34787  143.25       5.34189  112.559     189.056     53.2267     9.05595     
1 1 1 2  7  8  o 184.233 2.11567 190.618      6.00287  179.186      5.99725  103.173     326.792     116.049     146.792     
1 1 1 2  7  9  o 248.975 1.82903 335.177      7.01062  339.969      7.01392  226.349     287.848     10.065      287.848     
1 1 1 2  7  10 o 521.823 1.94936 1451.36      16.1537  1514.68      15.1305  494.974     59.6453     31.546      59.6453     
1 1 1 2  7  11 o 361.992 1.84798 710.972      10.3007  716.158      10.3015  288.316     58.714      83.3973     238.714     
1 1 1 2  7  12 o 89.7014 1.90475 42.3415      2.62633  45.3967      2.62738  22.7072     118.719     76.4228     298.719     
1 1 1 2  7  13 o 589.191 1.90726 1887.73      17.305   1893.04      17.3037  553.907     192.859     25.0774     192.859     
1 1 1 2  7  14 o 403.234 1.99188 903.708      12.3763  867.379      12.3569  373.236     166.715     10.9326     166.715     
1 1 1 2  7  15 o 311.704 2.14455 533.934      10.2978  524.333      10.2889  268.644     190.558     26.3266     10.5583     
1 1 1 2  7  16 o 405.87  2.0023  889.878      12.5091  904.331      12.5189  357.667     278.779     23.2183     98.7791     
1 1 1 2  7  17 o 910.858 2.10961 4533.03      28.5809  4503.81      30.5589  882.046     209.625     91.0691     209.625     
1 1 1 2  7  18 o 186.111 2.18538 202.302      6.26738  175.472      6.23715  97.5282     156.92      126.825     336.92      
1 1 1 2  7  19 o 83.2321 2.27922 39.7027      3.02226  35.9241      2.81045  7.86431     289.545     112.071     289.545     
1 1 1 2  7  20 o 87.3283 2.19311 39.4992      2.9466   43.7399      2.93601  72.8804     237.063     282.064     237.063     
1 1 1 2  7  21 o 178.242 2.04108 184.293      6.02696  162.172      5.18247  165.05      251.472     34.3143     251.472     
1 1 1 2  7  22 o 367.303 1.94767 746.665      11.395   723.219      10.6342  389.956     154.183     118.712     154.183     
1 1 1 2  7  23 o 249.814 1.94715 334.766      7.24692  345.225      7.73222  177.292     219.238     93.4565     39.2377     
1 1 1 2  7  24 o 224.35  2.01343 280.993      6.96108  267.57       6.94784  199.435     117.84      0.540699    297.839     
1 1 1 2  7  25 f 52.2989 2.39069 13.7753      1.9497   16.2195      1.86124  13.8345     53.2261     0           0           
1 1 1 2  7  26 o 188.393 2.22319 201.503      6.99815  185.6        5.89062  191.832     123.272     51.4747     123.272     
1 1 1 2  7  27 o 70.9789 2.77049 27.8866      2.70885  27.2544      3.28736  20.7949     214.174     70.8235     34.1745     
1 1 1 2  7  28 o 211.343 2.05289 236.566      6.17405  250.51       7.17492  175.303     61.6096     26.0696     241.61      
1 1 1 2  7  29 o 99.1095 2.1283  57.9027      3.11667  49.478       3.33562  59.9364     287.435     45.8605     107.435     
1 1 1 2  7  30 o 105.661 2.27511 62.2225      3.54557  59.6917      3.83611  97.1452     344.586     20.3345     344.586     
1 1 1 2  7  31 o 138.341 2.0279  103.53       4.17325  105.189      4.46399  85.5916     35.8714     71.9774     215.871     
1 1 1 2  7  32 f 24.7439 4.15211 3.33203      1.52072  3.65262      1.59638  34.3857     6.38599     0           0           
1 1 1 2  7  33 o 156.69  1.96707 132.015      4.74707  135.772      4.74468  190.834     324.688     110.422     324.688     
1 1 1 2  7  34 o 127.019 2.01811 87.3749      3.94508  88.6386      3.94942  102.598     13.629      15.7112     193.629     
1 1 1 2  7  35 o 55.2857 2.68797 16.6452      2.34572  16.9192      2.19919  27.6991     63.2402     29.7675     243.24      
1 1 1 2  7  36 o 153.773 2.39218 131.499      5.93377  126.911      5.39051  95.5382     96.3096     80.6542     276.31      
1 1 1 2  7  37 o 71.8074 2.44086 30.4577      2.7788   26.145       2.60208  36.2335     103.899     49.9053     283.899     
1 1 1 2  7  38 o 138.117 2.47079 102.472      5.45418  106.467      5.0321   113.881     106.212     14.2871     286.212     
1 1 1 2  7  39 o 61.7453 2.91348 21.8489      2.74739  20.2414      2.75749  51.1582     305.935     3.01141     305.935     
1 1 1 2  7  40 o 54.7688 2.59398 15.0422      2.14763  18.1161      2.19124  28.3546     240.241     33.9133     60.2409     
1 1 1 2  7  41 o 44.2496 2.8814  10.3696      1.92083  11.4167      1.95975  36.6851     227.964     23.731      227.964     
1 1 1 2  7  42 o 68.0408 2.3551  27.086       2.47138  24.023       2.44339  66.205      326.24      16.9919     326.24      
1 1 1 2  7  43 f 100.889 2.20029 56.6846      3.50782  55.4794      3.31968  70.1025     26.1395     0           0           
1 1 1 2  7  44 o 50.5368 2.85108 13.8152      2.18039  14.7575      2.21951  52.0183     122.44      20.5975     122.44      
1 1 1 2  7  45 o 58.0343 2.88699 18.8826      2.56433  18.8792      2.56275  47.8333     92.5935     2.90786     272.594     
1 1 1 2  7  46 o 56.0586 2.73914 18.3735      2.36333  16.8628      2.33429  43.1084     262.23      8.94631     82.2302     
1 1 1 2  7  47 o 29.7855 4.49912 5.58868      2.00085  5.12278      2.00143  18.7337     294.04      9.99605     114.04      
1 1 1 2  7  48 o 92.2423 2.43945 46.0223      3.16026  49.1023      3.74732  86.8616     302.909     14.7265     302.909     
1 1 1 2  7  49 o 90.8298 2.54828 44.4063      3.43099  48.4674      3.68476  90.0227     336.025     24.3028     336.025     
1 1 1 2  7  50 o 34.2746 3.93855 6.70673      1.90044  7.44676      2.11554  27.9715     233.177     1.12828     233.177     
1 1 1 2  7  51 o 17.1838 4.59667 1.21448      1.66592  1.78077      1.68176  2.7591      241.849     17.1065     61.8491     
1 1 1 2  7  52 o 37.4036 4.06791 9.87029      2.26056  7.40891      2.23723  31.1054     246.476     1.69249     246.476     
1 1 1 2  7  53 o 26.4311 4.89586 4.88641      2.06968  4.51775      1.96299  22.3545     313.479     5.74099     313.479     
1 1 1 2  7  54 o 15.1498 4.56515 -0.130347    1.92929  1.30697      1.88956  6.55007     306.918     0.5219      126.918     
1 1 1 2  7  55 o 17.5094 5.23666 2.04428      2.74353  0.938048     2.09836  7.14412     324.827     2.20816     324.827     
1 1 1 2  7  56 o 59.919  2.93875 21.3682      2.61962  21.6178      2.76785  64.8072     297.986     30.1705     297.986     
1 1 1 2  7  57 o 12.7768 4.10465 -1.47561     1.79385  0.61317      1.81945  3.25879     174.208     0.0673791   174.208     
1 1 1 2  7  58 o 16.1681 4.82596 1.38422      1.99438  1.44344      2.12504  8.99369     164.502     2.1495      164.502     
1 1 1 2  7  59 o 15.8222 4.71353 1.50159      1.93028  1.29385      1.99048  2.42273     102.04      0.914228    102.04      
1 1 1 2  7  60 o 17.4131 5.01825 0.984948     2.00729  3.36183      2.31521  7.88279     283.498     2.8286      283.498     
1 1 1 2  7  61 o 13.1488 4.24484 0.0467262    1.90841  0.0428897    1.91421  0.715757    126.664     3.58482     306.664     
1 1 1 2  7  62 f 15.4451 4.80012 1.14278      2.34029  1.64555      2.09577  7.30257     315.422     0           0           
1 1 1 2  7  63 o 14.4134 4.66114 0.614704     2.05014  1.19612      2.56852  6.83865     93.7346     1.70976     273.735     
1 1 1 2  8  0  o 115.169 1.8128  72.3316      3.21138  72.3316      3.21138  68.1764     1.21652e-05 62.1641     180         
1 1 1 2  8  1  o 198.173 1.80312 223.798      5.50237  204.177      5.49426  125.78      142.919     96.059      322.919     
1 1 1 2  8  2  o 210.703 1.80577 244.774      5.85966  238.791      5.85767  130.501     346.142     111.562     166.142     
1 1 1 2  8  3  o 296.387 1.81401 492.799      8.28122  464.198      8.27194  225.927     127.193     83.3857     307.193     
1 1 1 2  8  4  o 227.08  2.02271 288.401      6.78412  273.361      7.33266  158.583     292.646     86.1052     112.646     
1 1 1 2  8  5  o 511.088 2.15907 1410.74      16.9896  1434.54      16.9941  445.643     114.329     46.3223     294.329     
1 1 1 2  8  6  o 117.723 2.1195  72.5137      3.83541  78.5494      3.84113  60.2542     110.196     60.2263     290.196     
1 1 1 2  8  7  o 682.562 2.225   2562.19      23.3991  2512.49      23.3721  671.316     96.6514     87.0307     96.6514     
1 1 1 2  8  8  o 562.285 2.18331 1750.72      18.9149  1693.14      18.8903  409.827     260.276     213.601     80.2756     
1 1 1 2  8  9  o 410.091 2.14393 932.158      13.5441  899.681      13.5306  395.53      99.7039     44.0681     99.7039     
1 1 1 2  8  10 o 60.1318 2.07395 14.8193      1.85393  25.3646      1.87537  27.8053     218.701     118.544     218.701     
1 1 1 2  8  11 o 447.548 1.86548 1085.78      12.854   1095.67      12.8587  423.082     204.828     29.2569     204.828     
1 1 1 2  8  12 o 240.462 1.84363 309.733      6.82194  320.042      6.83021  199.068     132.226     30.1447     312.226     
1 1 1 2  8  13 o 190.223 1.99081 199.425      5.83482  194.694      5.82772  186.295     220.821     47.3695     220.821     
1 1 1 2  8  14 o 284.665 2.14048 441.387      9.38185  441.234      9.38386  292.092     71.7043     77.465      71.7043     
1 1 1 2  8  15 o 152.332 2.02064 116.329      4.72124  136.832      4.73644  106.168     275.553     38.5757     95.5526     
1 1 1 2  8  16 o 420.376 1.94618 968.838      12.1717  955.933      13.0049  416.27      305.425     72.5122     305.425     
1 1 1 2  8  17 o 497.146 2.29572 1343.52      18.3398  1348.82      16.7719  461.408     359.952     20.5242     359.952     
1 1 1 2  8  18 o 353.371 2.00511 691.917      10.9166  668.372      10.9029  276.172     276.076     81.789      96.0764     
1 1 1 2  8  19 o 295.333 1.87036 476.104      8.50694  473.984      8.50515  245.346     189.477     34.6592     9.47729     
1 1 1 2  8  20 o 200.434 1.88485 213.213      5.81118  224.495      5.82121  199.232     252.718     59.0802     252.718     
1 1 1 2  8  21 o 111.419 1.97008 71.2216      3.38243  64.1647      3.36845  82.4034     151.369     10.6553     151.369     
1 1 1 2  8  22 o 551.64  1.92089 1659.23      16.3191  1656.3       16.3154  553.804     343.145     105.682     343.145     
1 1 1 2  8  23 o 44.4431 2.52801 12.4545      1.70028  9.33241      1.70063  45.4944     233.059     147.919     233.059     
1 1 1 2  8  24 o 28.0989 3.51978 4.78306      1.51103  4.10604      1.4235   27.7232     127.456     70.3742     127.456     
1 1 1 2  8  25 o 149.85  2.242   124.753      5.59643  120.083      4.72914  97.9886     24.1187     67.1081     204.119     
1 1 1 2  8  26 o 50.0825 2.5337  11.571       1.97613  16.1184      1.83456  8.94663     112.7       87.972      112.7       
1 1 1 2  8  27 o 145.262 2.24017 121.269      5.01642  109.006      4.99593  166.627     343.428     88.779      343.428     
1 1 1 2  8  28 o 324.957 2.19393 580.922      10.9782  570.736      10.978   371.727     334.01      162.206     334.01      
1 1 1 2  8  29 o 107.775 2.00613 63.4692      3.32977  63.2751      3.32325  101.464     352.062     26.2825     352.062     
1 1 1 2  8  30 o 82.3422 2.30997 40.8364      2.91836  33.4402      2.90669  60.4895     334.628     11.517      154.628     
1 1 1 2  8  31 o 166.448 2.17542 153.495      5.36367  148.767      5.77301  160.74      33.3988     28.5216     33.3988     
1 1 1 2  8  32 o 36.2395 3.32225 7.50444      1.74214  7.10098      1.86997  3.07975     64.2226     48.4758     64.2226     
1 1 1 2  8  33 o 22.7179 4.44744 2.71585      1.54776  3.13         1.67182  24.6358     216.156     68.0077     216.156     
1 1 1 2  8  34 o 144.406 2.06695 109.281      4.42798  118.37       4.76634  144.399     183.542     37.6685     183.542     
1 1 1 2  8  35 o 117.868 2.38589 76.5368      4.31918  75.3675      4.33256  93.4786     307.931     17.9452     127.931     
1 1 1 2  8  36 o 205.633 2.02662 227.337      6.20274  234.436      6.6302   190.507     226.725     17.312      226.725     
1 1 1 2  8  37 o 183.483 2.21953 181.569      6.51928  186.538      6.00441  162.658     235.674     2.06441     235.675     
1 1 1 2  8  38 o 22.0378 4.8466  3.76223      1.91241  1.46574      1.88799  7.52842     354.493     31.2017     354.493     
1 1 1 2  8  39 o 80.4764 2.34018 34.6344      3.00029  36.4823      2.77524  70.7664     275.382     5.60017     275.382     
1 1 1 2  8  40 o 43.08   3.04024 10.0633      2.05452  10.6148      1.91659  17.6185     27.0656     34.0087     207.066     
1 1 1 2  8  41 o 76.2069 2.42063 30.4839      2.9778   33.5703      2.65778  74.3199     99.7102     19.0157     99.7102     
1 1 1 2  8  42 o 75.3281 2.35535 30.6085      2.78975  32.0331      2.65484  56.0793     131.889     17.8902     311.889     
1 1 1 2  8  43 o 34.2001 3.45735 7.70896      1.7375   5.71103      1.76015  23.8887     328.115     6.3804      148.115     
1 1 1 2  8  44 o 34.4794 3.49539 7.90269      1.78202  5.80428      1.78407  31.9491     296.268     12.5243     296.268     
1 1 1 2  8  45 o 39.657  3.29846 7.75771      1.96499  10.2599      1.94302  42.7811     138.099     31.7913     138.099     
1 1 1 2  8  46 o 58.4575 2.78387 17.4406      2.31609  21.0202      2.67088  50.4067     89.4296     1.73397     89.4296     
1 1 1 2  8  47 o 31.1789 4.58781 3.98229      2.16898  8.02827      2.12162  18.7608     353.749     13.2294     173.749     
1 1 1 2  8  48 o 56.342  3.29054 19.461       2.53008  17.058       3.04409  55.6834     16.3047     16.2482     16.3047     
1 1 1 2  8  49 o 52.4624 2.94383 16.2899      2.26212  15.2143      2.4409   46.783      10.8573     5.66228     10.8573     
1 1 1 2  8  50 o 43.6567 3.60269 13.5568      2.4042   9.13233      2.28102  38.5627     199.584     5.46536     199.584     
1 1 1 2  8  51 o 17.2975 4.76711 1.74407      1.92614  1.1844       1.73641  5.69592     44.4226     8.31225     224.423     
1 1 1 2  8  52 o 15.6255 4.68363 0.0396303    2.12288  1.12264      1.84998  3.8297      271.629     10.3582     91.6294     
1 1 1 2  8  53 o 34.6535 4.09544 6.21708      2.11517  9.06728      2.03176  30.1895     345.071     4.54843     345.071     
1 1 1 2  8  54 o 30.9233 5.10623 5.50174      2.42409  7.92173      2.39444  22.4257     232.503     4.81846     52.5029     
1 1 1 2  8  55 o 38.8082 3.83267 8.21068      2.20801  10.9431      2.1912   30.4587     30.6972     2.36305     210.697     
1 1 1 2  8  56 o 57.0353 3.51639 20.0178      2.60893  20.6298      3.42531  56.2672     141.693     17.932      141.693     
1 1 1 2  8  57 o 16.8868 4.74869 1.11306      1.88025  2.37636      1.87906  11.1962     169.03      3.74008     169.03      
1 1 1 2  8  58 o 22.6245 5.12437 4.12205      2.00266  3.9535       2.03866  14.5058     184.192     5.16593     4.19156     
1 1 1 2  8  59 o 15.3045 4.57755 -0.237252    1.95457  2.30936      1.95519  4.11575     138.141     13.0624     318.141     
1 1 1 2  8  60 o 21.0695 5.21686 4.84573      2.24366  2.64541      2.02351  14.4698     65.9756     3.79726     65.9756     
1 1 1 2  8  61 o 23.5611 5.39533 5.40992      2.2456   4.24305      2.26885  15.5821     169.688     0.411614    349.688     
1 1 1 2  8  62 o 15.3841 4.74714 1.11206      2.13492  2.01008      2.12999  6.30243     305.107     3.60643     125.107     
1 1 1 2  8  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  9  0  o 430.359 1.83791 1008.55      12.179   1008.55      12.179   390.706     180         12.5717     8.48983e-06 
1 1 1 2  9  1  o 380.431 1.82926 802.558      10.7238  773.797      10.7063  311.512     133.451     68.6151     313.451     
1 1 1 2  9  2  o 537.613 1.86543 1575.29      15.4449  1572.51      15.4415  477.774     212.185     28.588      32.1847     
1 1 1 2  9  3  o 65.8737 1.88199 22.6921      1.90289  24.6655      1.9049   7.43553     295.589     66.7001     295.589     
1 1 1 2  9  4  o 182.004 1.80679 185.447      5.06374  175.387      5.06106  137.397     331.153     38.6045     151.153     
1 1 1 2  9  5  o 514.508 2.16215 1468.09      17.1409  1415.38      17.1161  441.008     179.423     59.0339     359.423     
1 1 1 2  9  6  o 256.436 2.11104 360.74       8.3376   355.485      8.33438  233.417     314.934     11.0375     314.934     
1 1 1 2  9  7  o 512.037 2.16509 1371.78      17.0414  1484.94      17.0828  570.425     39.0104     207.526     39.0104     
1 1 1 2  9  8  o 465.366 2.15711 1182.43      15.461   1176.33      15.4552  412.391     52.4157     24.0401     232.416     
1 1 1 2  9  9  o 133.09  2.1586  100.05       4.42234  92.9387      4.42099  116.554     164.868     54.2873     164.868     
1 1 1 2  9  10 o 235.735 2.0642  292.96       7.77168  312.454      7.17793  268.078     81.9785     127.04      81.9785     
1 1 1 2  9  11 o 633.615 2.05404 2169.59      20.0319  2203.11      20.0498  687.448     332.63      217.539     332.63      
1 1 1 2  9  12 o 473.736 2.00612 1225.01      14.64    1219.34      14.6293  434.449     48.501      7.40071     48.5012     
1 1 1 2  9  13 o 56.882  2.40213 22.9737      2.04351  13.0937      2.0224   9.04541     337.871     36.472      337.871     
1 1 1 2  9  14 o 396     1.99356 863.539      12.1589  844.541      12.1534  331.288     197.396     52.5408     17.3955     
1 1 1 2  9  15 o 103.664 2.15777 63.6074      3.16488  53.7217      3.64226  3.81783     188.38      148.363     8.38012     
1 1 1 2  9  16 o 255.915 2.18733 353.87       9.2899   359.571      7.88032  248.717     324.918     54.7776     324.918     
1 1 1 2  9  17 o 544.049 2.12426 1591.76      18.4529  1632.77      17.0948  530.936     98.1778     76.9185     98.1778     
1 1 1 2  9  18 o 197.646 1.95081 212.722      5.73741  212.822      6.13089  191.411     30.9942     51.7592     30.9942     
1 1 1 2  9  19 o 191.737 1.9413  201.091      5.92111  199.412      5.53747  193.546     335.895     64.534      335.895     
1 1 1 2  9  20 o 113.9   1.955   68.9553      3.42333  72.4095      3.43326  46.581      10.2087     93.7371     190.209     
1 1 1 2  9  21 o 383.604 1.88471 791.511      11.126   811.836      11.139   444.687     78.5394     199.965     78.5394     
1 1 1 2  9  22 f 188.328 1.8921  196.763      5.4914   189.739      5.48174  151.12      147.181     0           0           
1 1 1 2  9  23 o 177.826 1.89508 166.065      5.17653  178.657      5.19771  184.042     171.774     59.2515     171.774     
1 1 1 2  9  24 o 157.988 2.03495 138.266      4.96163  133.822      4.93915  132.415     335.398     11.2742     155.398     
1 1 1 2  9  25 o 23.632  3.7635  2.67985      1.33474  3.68482      1.34714  32.4349     312.056     79.1329     312.056     
1 1 1 2  9  26 o 17.177  3.88144 0.412161     1.31821  2.39041      1.21287  39.7485     322.4       87.3431     322.4       
1 1 1 2  9  27 o 143.812 2.00674 108.467      4.58449  117.115      4.28185  141.304     325.172     36.8308     325.172     
1 1 1 2  9  28 o 231.255 2.20481 292.873      7.85572  290.448      7.84714  215.493     117.182     20.7907     117.182     
1 1 1 2  9  29 o 147.304 2.25397 116.166      5.09624  120.574      5.12842  123.018     43.428      10.799      223.428     
1 1 1 2  9  30 o 87.7879 2.26423 43.4428      3.06148  40.777       3.04807  65.8938     259.83      14.4746     79.8296     
1 1 1 2  9  31 o 117.361 2.26814 76.8179      4.26891  73.6077      3.92008  109.67      251.714     18.3853     251.714     
1 1 1 2  9  32 o 60.4923 2.6262  19.8442      2.59221  20.2751      2.2608   31.5342     208.93      30.3571     28.9295     
1 1 1 2  9  33 o 83.3988 2.20781 40.4753      2.82956  35.629       2.82276  81.2722     63.4096     30.1116     63.4096     
1 1 1 2  9  34 o 59.856  2.82694 20.1435      2.58637  19.2218      2.59369  49.3055     34.9968     10.7667     34.9968     
1 1 1 2  9  35 o 124.332 2.34937 83.9089      4.49685  85.1619      4.49094  93.3321     302.959     30.5315     122.959     
1 1 1 2  9  36 o 103.457 2.36425 57.6844      3.62552  59.5127      3.89628  71.2176     73.5623     36.6657     253.562     
1 1 1 2  9  37 o 67.5021 2.80839 25.1347      2.8944   25.0276      2.91809  50.3318     87.2571     10.432      267.257     
1 1 1 2  9  38 f 123.809 2.13804 81.083       3.92571  86.7602      4.22781  123.02      89.9509     0           0           
1 1 1 2  9  39 o 49.1371 2.81849 14.4953      2.03662  12.296       2.16542  28.1542     125.811     23.0242     305.811     
1 1 1 2  9  40 f 33.5942 3.4923  5.80898      1.70026  7.00737      1.80095  2.26939     256.147     0           0           
1 1 1 2  9  41 o 27.7034 3.95703 3.55845      1.62928  5.41323      1.62904  14.8996     345.884     8.9076      165.884     
1 1 1 2  9  42 o 103.592 2.12009 59.1231      3.38088  59.0697      3.37598  77.4584     295.801     24.8683     115.801     
1 1 1 2  9  43 f 39.4705 3.25294 8.48641      2.01082  9.17975      1.85382  33.045      272.56      0           0           
1 1 1 2  9  44 o 58.9674 2.87797 22.1812      2.4946   16.9827      2.63667  59.899      195.223     20.9208     195.223     
1 1 1 2  9  45 o 60.3944 2.87295 19.997       2.58962  20.9963      2.7234   39.6463     312.003     23.4617     132.003     
1 1 1 2  9  46 o 16.4654 4.47123 1.52398      1.60439  0.799002     1.60555  4.77102     64.5554     8.42439     244.555     
1 1 1 2  9  47 o 15.4911 4.39416 0.617364     1.64784  1.04766      1.55828  4.09715     191.355     11.6705     11.3546     
1 1 1 2  9  48 o 15.1746 4.50676 0.221437     1.80397  0.751153     1.77197  2.32189     140.931     1.95552     320.931     
1 1 1 2  9  49 o 27.8145 4.58925 6.47608      1.99168  3.35477      1.95485  18.3249     222.432     6.09116     42.432      
1 1 1 2  9  50 o 18.1685 4.84318 2.54479      1.93386  0.768495     1.87019  6.91385     85.4689     2.84132     265.469     
1 1 1 2  9  51 o 24.7489 5.20013 3.65346      2.25868  4.49684      2.03703  16.4724     308.517     9.39503     308.517     
1 1 1 2  9  52 o 12.2065 3.92888 -0.281687    1.63056  -0.870081    1.62226  1.22392     221.135     15.9963     221.135     
1 1 1 2  9  53 o 17.224  5.36313 -0.122858    2.07422  2.27526      3.32501  3.5494      16.7104     1.42118     16.7104     
1 1 1 2  9  54 o 21.5004 5.08223 3.94954      2.0037   2.51121      2.02656  13.3198     265.855     4.89726     85.8545     
1 1 1 2  9  55 o 20.7545 5.028   3.78665      2.02693  2.38644      1.88979  15.1227     22.3005     5.61439     22.3005     
1 1 1 2  9  56 o 18.1127 4.86753 2.56602      1.87576  1.87381      1.89486  13.1043     128.46      2.14738     128.46      
1 1 1 2  9  57 o 23.2733 5.04836 3.14661      2.07515  5.18552      2.02317  21.2048     358.246     9.8366      358.246     
1 1 1 2  9  58 o 27.3653 4.97232 5.75154      2.11303  5.67207      2.1      22.2806     337.503     2.47586     337.503     
1 1 1 2  9  59 o 13.8042 4.38678 -0.0373187   1.89229  0.77785      2.00677  0.850087    2.24767     0.0236672   182.248     
1 1 1 2  9  60 o 41.4724 3.97287 14.0123      2.4136   9.58711      2.4124   43.8822     257.116     23.9493     257.116     
1 1 1 2  9  61 o 14.8973 4.53951 -0.9676      2.02604  2.62307      2.05066  4.13583     90.5538     5.46902     270.554     
1 1 1 2  9  62 o 16.5691 4.95775 1.89899      2.06886  2.66669      2.29301  9.28357     147.543     1.89672     147.543     
1 1 1 2  10 0  o 379.335 1.83005 783.599      10.6889  783.599      10.6889  403.969     180         111.093     180         
1 1 1 2  10 1  o 25.8267 2.48053 5.12634      0.913164 2.50817      0.910761 96.754      303.494     210.455     303.494     
1 1 1 2  10 2  o 197.887 1.81635 224.221      5.5335   202.528      5.52582  120.436     121.822     106.816     301.822     
1 1 1 2  10 3  o 353.818 1.82769 673.975      9.95488  689.459      9.96023  266.423     225.796     107.571     45.796      
1 1 1 2  10 4  o 679.015 1.91727 2469.02      20.0563  2552.77      20.0335  694.257     327.815     148.072     327.815     
1 1 1 2  10 5  o 422.268 2.05479 974.569      12.826   967.495      13.8719  348.61      101.976     69.7352     281.976     
1 1 1 2  10 6  o 236.749 2.1173  312.856      7.72222  297.717      7.71239  151.23      120.473     119.411     300.473     
1 1 1 2  10 7  o 485.757 2.16327 1308.04      16.1918  1262.21      16.1677  471.839     138.716     60.9274     138.716     
1 1 1 2  10 8  o 280.766 2.1293  420.647      9.20203  438.041      9.2072   257.466     320.602     15.0503     320.602     
1 1 1 2  10 9  o 197.676 2.14229 218.209      6.52315  207.472      6.51614  201.569     179.416     70.9445     179.416     
1 1 1 2  10 10 f 476.795 2.16982 1196.29      15.9059  1280.61      15.9437  430.84      272.957     0           0           
1 1 1 2  10 11 o 105.665 2.61126 61.0765      4.46876  60.7049      4.00428  50.2673     98.8916     28.3638     278.892     
1 1 1 2  10 12 o 15.9893 3.39773 2.20508      1.00101  0.404078     0.980394 127.647     34.2546     261.636     34.2546     
1 1 1 2  10 13 o 343.053 1.98645 642.344      10.4905  639.509      10.4969  286.703     268.725     39.1868     88.7245     
1 1 1 2  10 14 f 244.054 2.14081 323.366      8.04096  325.46       8.05002  198.22      98.1262     0           0           
1 1 1 2  10 15 o 216.046 2.00717 239.243      6.65701  269.657      6.6817   166.252     293.531     38.4528     113.531     
1 1 1 2  10 16 o 431.848 2.09138 1022.69      14.4407  1009.01      13.3604  387.733     6.40964     1.29871     186.41      
1 1 1 2  10 17 o 102.6   2.06445 62.4213      3.14141  52.568       3.33711  35.0874     36.7917     8.96438     36.7917     
1 1 1 2  10 18 o 335.014 1.87171 618.532      9.65961  604.221      9.65128  379.717     58.8064     163.657     58.8063     
1 1 1 2  10 19 o 245.709 1.87368 331.107      7.09044  326.663      7.08799  203.053     17.3283     30.2883     197.328     
1 1 1 2  10 20 o 446.042 1.89239 1068.99      12.9899  1098.93      13.0044  451.867     55.2002     99.953      55.2002     
1 1 1 2  10 21 o 236.504 1.88405 319.037      6.86919  290.801      6.84392  209.814     103.981     0.261847    283.981     
1 1 1 2  10 22 o 201.174 1.89302 220.314      5.86366  220.738      5.86497  215.235     211.848     78.21       211.848     
1 1 1 2  10 23 o 393.15  1.89056 830.53       11.4367  854.151      11.4529  392.789     206.437     79.0756     206.437     
1 1 1 2  10 24 o 91.7253 2.02507 47.9856      2.85913  43.8683      2.85056  68.2245     43.4944     9.86604     223.494     
1 1 1 2  10 25 o 218.159 2.01387 253.162      6.7571   265.799      6.771    209.098     237.298     32.8582     237.298     
1 1 1 2  10 26 o 273.861 2.0139  414.175      8.49685  403.62       8.48812  254.309     309.249     21.6026     309.249     
1 1 1 2  10 27 o 209.277 1.97419 236.181      6.1521   241.387      6.56917  204.872     198.464     41.2524     198.464     
1 1 1 2  10 28 o 159.131 2.07905 135.685      5.08756  140.517      5.10064  138.901     71.0833     0.0737156   251.079     
1 1 1 2  10 29 o 65.07   2.6464  23.083       2.65497  23.3019      2.6258   29.9936     142.444     18.7242     142.444     
1 1 1 2  10 30 o 91.3651 2.17675 45.1862      2.96059  45.9911      3.15413  57.6793     347.627     39.0646     167.627     
1 1 1 2  10 31 o 253     1.99445 358.103      7.4875   340.234      8.02583  240.251     130.589     32.8495     130.589     
1 1 1 2  10 32 o 230.796 2.06905 292.085      7.36147  289.182      7.34533  196.595     154.802     14.3353     334.802     
1 1 1 2  10 33 f 97.6159 3.04289 51.2914      5.27832  53.2115      3.66438  88.5721     168.135     0           0           
1 1 1 2  10 34 o 48.1525 3.33689 13.5833      2.57831  12.1108      2.30883  30.1904     228.717     11.6156     48.7169     
1 1 1 2  10 35 o 103.057 2.20165 56.6161      3.59433  59.5946      3.37443  95.7819     250.15      15.1357     250.15      
1 1 1 2  10 36 o 208.109 2.27241 233.424      7.28478  240.49       7.27848  194.696     144.858     24.4035     144.858     
1 1 1 2  10 37 o 152.911 2.0796  125.509      4.71309  130.359      5.0791   117.589     200.847     31.5298     20.8469     
1 1 1 2  10 38 o 61.5982 2.56706 21.1729      2.53257  20.6484      2.31301  51.2479     63.3604     1.87808     63.3605     
1 1 1 2  10 39 o 116.873 2.13693 74.5115      3.71538  75.4164      3.96704  118.74      135.41      35.7681     135.41      
1 1 1 2  10 40 o 47.5029 3.10085 12.013       2.18215  13.2322      2.30337  40.3674     324.788     3.66609     324.788     
1 1 1 2  10 41 f 49.7066 2.91315 14.5437      2.04936  13.0776      2.33587  53.7118     42.7724     0           0           
1 1 1 2  10 42 o 85.1198 2.5068  45.6093      2.95355  35.0291      3.4653   85.64       41.5295     25.5304     41.5295     
1 1 1 2  10 43 o 22.2789 4.49172 2.7366       1.57708  3.15752      1.65757  3.97763     86.3404     0.972292    86.3404     
1 1 1 2  10 44 o 20.3704 4.3582  3.72725      1.62519  0.87742      1.61705  8.54716     225.619     5.31627     45.619      
1 1 1 2  10 45 o 46.851  2.91882 13.4469      2.11915  11.3997      2.04309  41.4132     157.535     5.00451     157.535     
1 1 1 2  10 46 o 59.9347 2.81458 20.5374      2.68963  20.01        2.47365  48.4115     55.0584     5.00829     235.058     
1 1 1 2  10 47 o 47.8577 3.72559 12.8353      2.94224  14.0001      2.3715   43.8845     226.978     8.20727     226.978     
1 1 1 2  10 48 o 104.234 2.57287 65.7666      4.51913  57.0653      3.72855  104.91      357.917     32.4271     357.917     
1 1 1 2  10 49 o 56.2916 3.2787  19.0611      2.93099  17.7632      2.70334  54.6737     79.7024     15.8996     79.7024     
1 1 1 2  10 50 o 23.8524 4.87829 5.83282      1.98149  0.390872     2.71029  17.2559     264.727     6.37743     264.727     
1 1 1 2  10 51 o 14.4713 4.45209 0.0920924    1.79776  0.410392     1.909    2.50447     134.604     10.378      314.604     
1 1 1 2  10 52 o 15.4558 4.91657 0.183668     3.03536  0.0825567    1.8108   6.06254     42.349      4.99549     222.349     
1 1 1 2  10 53 o 19.6694 5.07219 0.684324     2.167    3.99746      2.16489  14.0169     111.459     4.53335     111.459     
1 1 1 2  10 54 o 11.9885 3.91916 -0.112461    1.71443  -1.62205     1.74035  0.889954    135.562     2.73679     315.562     
1 1 1 2  10 55 o 13.4061 4.25411 -0.220966    1.76121  0.248287     1.88475  0.419505    307.76      17.5903     127.76      
1 1 1 2  10 56 o 33.8431 4.29975 8.67054      2.12651  6.99277      2.17142  31.2059     132.647     8.32298     132.647     
1 1 1 2  10 57 o 14.2011 4.40139 -0.156374    1.84623  1.25077      1.88745  5.09259     58.7199     7.22852     238.72      
1 1 1 2  10 58 o 22.2677 5.03497 2.61886      2.04034  5.36274      2.07543  18.1513     209.091     5.10426     209.091     
1 1 1 2  10 59 o 22.1429 4.86272 1.64643      2.07492  6.09347      2.10082  16.1989     64.8552     3.80266     64.8552     
1 1 1 2  10 60 o 24.6942 5.23126 5.2178       2.16092  4.9818       2.12989  16.964      177.863     9.0277      177.863     
1 1 1 2  10 61 f 12.866  4.22515 0.886912     2.08238  -1.05399     1.97911  4.75365     177.475     0           0           
1 1 1 2  10 62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  11 0  o 343.607 1.83015 642.971      9.68241  642.971      9.68241  310.615     180         6.98871     8.19971e-06 
1 1 1 2  11 1  o 174.604 1.82504 171.572      4.9074   160.551      4.90269  175.149     289.747     67.2952     289.747     
1 1 1 2  11 2  o 396.318 1.83639 844.194      11.2038  866.521      11.2094  366.98      15.7754     20.1385     15.7754     
1 1 1 2  11 3  o 479.405 1.92306 1255.24      13.7203  1247.91      14.6547  453.021     286.992     38.8352     286.992     
1 1 1 2  11 4  o 219.297 1.82608 243.538      6.14847  280.893      6.16203  211.668     184.326     46.374      184.326     
1 1 1 2  11 5  o 367.299 1.83383 737.42       10.3783  731.897      10.3659  390.26      328.343     124.331     328.343     
1 1 1 2  11 6  o 662.799 2.12099 2314.99      20.7757  2471.24      22.5239  607.994     182.667     12.2484     182.667     
1 1 1 2  11 7  o 462.228 2.1599  1144.76      15.3673  1182.6       15.3773  476.937     251.281     121.793     251.281     
1 1 1 2  11 8  o 290.344 2.13761 449.591      9.5502   468.736      9.56135  300.08      187.524     91.4281     187.524     
1 1 1 2  11 9  o 202.727 2.15004 225.142      6.71111  222.528      6.71259  75.4611     4.50633     202.309     184.506     
1 1 1 2  11 10 o 328.159 2.3511  589.845      11.8856  583.282      11.8757  264.567     316.032     54.219      136.032     
1 1 1 2  11 11 o 187.498 2.36817 190.105      6.83358  192.888      6.84128  187.381     285.485     122.027     285.485     
1 1 1 2  11 12 o 277.957 2.35265 431.283      10.0746  410.556      10.0609  283.158     92.5399     85.1741     92.5399     
1 1 1 2  11 13 o 329.745 3.46965 240.672      7.72441  1101.23      29.6632  388.168     56.3544     200.181     56.3544     
1 1 1 2  11 14 o 183.936 2.01475 179.738      5.70066  188.887      5.71012  88.3544     227.477     140.104     47.4768     
1 1 1 2  11 15 o 442.193 2.0034  1047.03      13.6345  1083.37      13.6461  390.681     207.449     13.2515     27.4493     
1 1 1 2  11 16 o 383.551 2.0009  793.981      11.813   808.845      11.8219  345.684     132.291     3.94909     132.291     
1 1 1 2  11 17 o 68.9461 2.18655 25.6443      2.21646  26.2623      2.41248  17.9626     108.04      37.2263     288.04      
1 1 1 2  11 18 o 228.129 1.8748  288.46       6.58815  278.63       6.58255  238.826     293.18      77.9253     293.18      
1 1 1 2  11 19 f 260.348 1.86931 374.452      7.49449  364.166      7.49283  243.48      46.816      0           0           
1 1 1 2  11 20 o 88.0548 2.00312 41.6771      2.7093   42.9203      2.71552  41.8094     85.6478     24.8818     85.6478     
1 1 1 2  11 21 o 55.7901 2.26531 16.2533      1.93654  17.8116      1.93613  15.7193     335.151     30.3872     155.151     
1 1 1 2  11 22 o 253.991 1.94975 356.066      7.88272  347.138      7.36577  280.492     337.287     111.617     337.287     
1 1 1 2  11 23 o 286.441 1.88141 447.256      8.29752  447.086      8.29988  321.917     339.438     135.892     339.438     
1 1 1 2  11 24 o 113.693 1.98198 64.3565      3.45042  76.8956      3.46667  84.3236     204.126     21.9523     24.1256     
1 1 1 2  11 25 o 206.349 2.02173 235.414      6.42294  228.898      6.42435  196.223     109.203     30.4745     109.203     
1 1 1 2  11 26 o 193.236 2.03779 212.571      6.07175  194.824      6.04797  183.732     338.118     28.9556     338.118     
1 1 1 2  11 27 o 210.557 2.06584 235.641      7.12155  247.972      6.21763  206.382     336.186     42.2071     336.186     
1 1 1 2  11 28 o 117.39  2.0931  71.9475      3.89662  78.4952      3.6461   109.7       115.501     19.334      115.501     
1 1 1 2  11 29 o 191.279 2.1605  197.508      6.59224  201.674      6.12092  174.426     160.883     13.014      160.883     
1 1 1 2  11 30 o 71.0315 2.54056 27.8833      2.65957  27.3589      2.87349  54.1915     202.835     1.80077     22.8352     
1 1 1 2  11 31 o 131.128 2.09014 95.5292      4.08862  92.1298      4.3428   116.967     262.927     8.16863     262.927     
1 1 1 2  11 32 o 128.894 2.39111 90.6947      4.32022  90.8684      5.13132  113.233     319.247     3.74277     319.247     
1 1 1 2  11 33 o 116.08  2.63833 74.0982      4.6994   73.461       4.72024  95.9961     147.557     8.70405     327.557     
1 1 1 2  11 34 o 81.7197 2.25666 35.7184      2.82756  37.4105      2.84017  75.8194     109.599     15.6033     109.599     
1 1 1 2  11 35 o 18.825  4.67171 0.293851     1.788    2.77524      1.79681  5.8151      292.783     18.277      292.783     
1 1 1 2  11 36 o 21.2122 4.39325 4.39548      1.827    0.273243     1.66919  14.5842     36.0735     51.2226     36.0735     
1 1 1 2  11 37 f 54.4271 2.64206 17.7985      2.27907  14.9648      2.12091  20.5963     98.7954     0           0           
1 1 1 2  11 38 f 64.032  2.79698 25.2794      2.72644  20.2257      2.7336   44.69       179.057     0           0           
1 1 1 2  11 39 o 49.5075 2.91651 13.7852      2.19455  13.5159      2.21153  51.8469     80.5322     26.6663     80.5322     
1 1 1 2  11 40 o 166.201 1.99386 157.393      5.11267  146.185      5.0887   166.903     9.04173     45.3793     9.04174     
1 1 1 2  11 41 o 17.7538 4.30045 0.80084      1.47029  2.38256      1.47875  0.878884    358.912     18.6096     178.912     
1 1 1 2  11 42 o 96.43   2.23393 52.3153      3.39596  50.524       3.2295   86.1207     264.495     6.80999     264.495     
1 1 1 2  11 43 o 25.0346 4.44882 2.94202      1.75333  4.59516      1.71974  14.3819     259.855     6.32349     79.8548     
1 1 1 2  11 44 o 60.3506 2.82139 20.9541      2.71987  19.9873      2.49375  53.9036     169.522     6.19031     169.522     
1 1 1 2  11 45 o 25.2043 4.4718  4.40094      1.66337  3.32344      1.83086  8.91519     299.561     22.2349     119.561     
1 1 1 2  11 46 o 55.2281 2.89509 15.9493      2.32588  18.78        2.56473  33.1687     30.0521     26.9915     210.052     
1 1 1 2  11 47 o 20.1273 4.71406 1.30131      1.70325  3.45995      1.84281  9.7971      70.454      1.64568     70.454      
1 1 1 2  11 48 o 41.2723 3.86386 11.3079      2.06821  9.05985      2.57059  24.7896     7.13615     18.2514     187.136     
1 1 1 2  11 49 o 35.8091 4.95138 8.26736      2.61847  8.1594       2.64622  31.449      268.047     6.90489     268.047     
1 1 1 2  11 50 o 25.688  5.29362 3.28319      2.07057  5.78942      2.44224  19.3445     356.134     11.3125     356.134     
1 1 1 2  11 51 o 38.087  4.02886 8.19471      2.25802  10.0243      2.30533  27.0302     210.05      8.00534     30.05       
1 1 1 2  11 52 o 19.8859 5.31361 1.41341      2.53012  3.41975      2.14906  10.2345     288.584     8.83102     108.584     
1 1 1 2  11 53 o 16.9373 4.7354  1.20699      1.87957  1.95894      1.80773  5.86032     305.654     11.4268     125.654     
1 1 1 2  11 54 o 19.2634 4.91219 2.04663      1.92688  3.04613      1.85408  11.1746     55.057      5.28235     55.057      
1 1 1 2  11 55 o 23.2305 4.73601 5.7975       1.96774  2.0834       1.94713  15.6135     350.374     4.64653     170.374     
1 1 1 2  11 56 o 35.2947 4.28297 6.46195      2.14195  10.8663      2.2826   35.6085     159.694     15.5786     159.694     
1 1 1 2  11 57 o 46.9291 3.46979 16.1068      2.46261  12.3423      2.43036  48.5625     257.921     21.4214     257.921     
1 1 1 2  11 58 o 12.975  4.18473 -0.556916    1.83379  0.473767     1.88789  3.12038     79.2849     6.04878     259.285     
1 1 1 2  11 59 o 23.8891 5.09339 2.94099      2.07201  6.52908      2.23786  14.2944     306.751     4.5833      126.751     
1 1 1 2  11 60 o 14.2344 4.37312 -1.66779     1.96812  2.47757      1.96793  2.62229     95.3316     2.0544      275.332     
1 1 1 2  11 61 f 13.3903 4.32426 0.186138     1.98161  0.727565     1.9952   9.85172     333.841     0           0           
1 1 1 2  12 0  f 18.1449 3.88286 2.22225      0.946262 2.22225      0.946262 29.4215     180         0           0           
1 1 1 2  12 1  o 443.685 1.91979 1050.11      13.5243  1094.24      12.6732  511.027     133.284     231.188     133.284     
1 1 1 2  12 2  o 345.003 1.83634 641.492      9.75416  654.931      9.75673  316.979     123.443     21.9374     123.443     
1 1 1 2  12 3  o 551.438 1.87858 1653.1       15.9521  1658.9       15.9519  479.162     179.001     35.5166     359.001     
1 1 1 2  12 4  o 306.99  1.89842 512.927      9.26469  513.555      8.67407  259.526     304.537     22.4504     124.537     
1 1 1 2  12 5  o 439.325 1.90939 1056.45      13.34    1045.79      12.4844  430.099     330.711     75.0796     330.711     
1 1 1 2  12 6  o 534.955 1.85423 1557.41      15.2883  1559.61      15.2609  629.029     335.948     300.861     335.948     
1 1 1 2  12 7  o 157.541 2.16688 126.199      5.24096  144.474      5.25553  130.779     110.928     34.5127     110.928     
1 1 1 2  12 8  o 97.7517 2.24115 52.8775      3.37326  51.3332      3.36445  17.9925     131.626     83.4742     311.626     
1 1 1 2  12 9  o 413.7   2.36576 900.268      15.0521  964.932      15.0774  329.533     93.9908     80.4035     273.991     
1 1 1 2  12 10 o 120.807 2.42668 71.4336      4.47805  88.1515      4.50667  54.2992     274.758     73.5288     94.7583     
1 1 1 2  12 11 o 169.001 2.37618 154.752      6.17779  156.456      6.18979  124.976     210.422     30.2747     30.4215     
1 1 1 2  12 12 o 337.513 2.63456 595.251      13.6604  646.796      13.7092  347.487     240.571     97.7647     240.571     
1 1 1 2  12 13 o 175.526 2.29958 162.658      6.13637  173.151      6.29411  131.557     75.7042     35.6874     255.704     
1 1 1 2  12 14 o 378.054 2.27942 777.888      12.6226  779.641      13.8884  378.165     107.649     81.5805     107.649     
1 1 1 2  12 15 f 106.71  2.08114 58.4112      3.40583  65.8767      3.41851  86.3946     140.435     0           0           
1 1 1 2  12 16 o 230.971 1.85423 285.625      6.58933  295.685      6.59921  223.673     195.356     41.9397     195.356     
1 1 1 2  12 17 o 382.587 1.87459 794.055      11.0433  800.946      11.0445  380.72      154.828     77.7453     154.828     
1 1 1 2  12 18 o 134.402 1.91113 95.1452      3.94698  101.77       3.96084  117.33      173.222     8.61959     173.222     
1 1 1 2  12 19 o 195.653 1.88249 213.788      5.67133  203.468      5.66937  178.058     64.7397     13.1818     64.7397     
1 1 1 2  12 20 o 76.9397 2.06378 32.6307      2.44141  31.9956      2.43983  8.92724     193.493     107.742     13.4932     
1 1 1 2  12 21 o 156.248 1.90715 132.892      4.59019  133.221      4.58719  132.671     219.054     4.72508     39.0538     
1 1 1 2  12 22 o 270.688 1.88007 400.756      7.84219  397.976      7.83118  243.136     216.265     6.9474      216.265     
1 1 1 2  12 23 o 225.404 1.89422 278.855      6.57691  275.036      6.5724   182.104     358.332     32.7703     178.332     
1 1 1 2  12 24 o 173.368 1.90798 162.976      5.09098  164.725      5.09631  169.453     295.134     38.7962     295.134     
1 1 1 2  12 25 o 71.5461 2.21267 29.1306      2.48915  26.8389      2.37486  29.7298     252.695     54.3271     72.6955     
1 1 1 2  12 26 o 33.2168 3.2724  5.87624      1.63238  6.42426      1.62087  19.6666     47.5468     79.8769     47.5468     
1 1 1 2  12 27 o 179.571 2.05548 181.812      5.68954  170.014      5.67379  194.164     242.076     75.9507     242.076     
1 1 1 2  12 28 o 59.1438 2.3954  19.5577      2.16915  18.7534      2.17493  39.6842     315.825     2.36944     135.825     
1 1 1 2  12 29 o 55.2796 2.70585 16.2697      2.28033  17.2856      2.29671  34.1877     201.428     0.624226    21.4281     
1 1 1 2  12 30 o 83.1356 2.46881 38.8931      3.26335  36.7513      3.0442   69.037      139.091     2.46936     139.091     
1 1 1 2  12 31 o 44.1625 3.28779 9.39321      2.17484  12.3113      2.1953   21.9382     193.967     2.01681     193.967     
1 1 1 2  12 32 o 95.6793 2.4599  51.9657      3.61597  48.2969      3.61681  73.3547     46.8777     16.6595     226.878     
1 1 1 2  12 33 f 133.715 2.18487 98.2089      4.49987  97.2363      4.49764  114.165     53.1094     0           0           
1 1 1 2  12 34 o 81.8934 3.07007 35.7365      3.65046  38.1755      4.0642   88.9655     33.3021     46.1933     33.3021     
1 1 1 2  12 35 o 47.9912 3.89055 8.05215      2.42888  18.9199      3.00815  37.3246     34.2886     9.27126     34.2886     
1 1 1 2  12 36 o 52.1934 2.75922 14.9696      2.10059  15.1565      2.29883  40.5435     320.571     0.705951    140.571     
1 1 1 2  12 37 f 20.891  4.21119 1.42383      1.49534  3.48995      1.48636  39.5623     113.396     0           0           
1 1 1 2  12 38 o 30.0133 3.75093 5.07086      1.69887  5.27644      1.63991  16.0555     221.817     10.4148     41.8169     
1 1 1 2  12 39 o 159.576 2.1662  137.601      5.6637   142.622      4.94218  160.619     183.604     45.2379     183.604     
1 1 1 2  12 40 o 16.5896 4.32976 0.807235     1.56755  1.64735      1.40684  14.911      319.93      53.7153     319.93      
1 1 1 2  12 41 o 45.2454 3.37649 10.3861      2.50452  12.9197      1.99341  37.2628     248.999     0.574894    248.999     
1 1 1 2  12 42 o 48.7257 3.16841 13.3374      2.5995   13.548       2.05588  39.7142     169.782     1.08883     349.782     
1 1 1 2  12 43 o 78.6672 2.50233 36.2008      3.26851  32.8367      2.77631  80.4608     62.7348     27.83       62.7348     
1 1 1 2  12 44 o 26.2798 4.33247 5.3183       1.82047  3.1271       1.66104  20.9885     57.2385     3.10303     57.2385     
1 1 1 2  12 45 f 32.0373 4.20152 8.20652      1.80849  4.35593      2.08346  22.7764     223.447     0           0           
1 1 1 2  12 46 o 58.8806 2.64322 20.4472      2.38862  18.8115      2.3768   44.1245     58.8112     10.4661     238.811     
1 1 1 2  12 47 o 37.7544 3.86288 11.1422      2.02139  6.20185      2.13531  29.0849     151.74      2.51318     331.74      
1 1 1 2  12 48 o 29.0056 4.83742 5.76026      2.18797  5.03221      2.06532  23.4959     46.634      4.53351     46.634      
1 1 1 2  12 49 o 14.0101 4.44558 -0.0183961   1.95858  -0.693912    2.03934  1.86254     67.6697     6.5368      247.67      
1 1 1 2  12 50 o 18.374  5.21748 2.48234      2.11721  0.644572     2.58561  1.58937     329.107     23.8092     149.107     
1 1 1 2  12 51 o 28.2617 5.28807 3.61277      2.32507  7.96302      2.56845  24.0869     25.2279     4.77626     25.2279     
1 1 1 2  12 52 o 42.8503 3.95633 9.74699      2.42296  13.6888      2.63548  36.7335     356.015     3.80569     356.015     
1 1 1 2  12 53 o 24.8545 5.07976 4.28846      2.15486  4.71124      1.97077  16.7537     358.503     3.82525     178.503     
1 1 1 2  12 54 o 32.2899 4.36646 6.89294      2.091    7.31849      2.09253  30.2203     239.987     9.47451     239.987     
1 1 1 2  12 55 o 20.7852 5.15366 3.28219      2.14676  3.39209      1.94329  11.2372     279.863     7.65788     279.863     
1 1 1 2  12 56 o 14.7195 4.59501 0.660411     2.0216   0.76057      2.05838  5.9168      333.082     5.91148     153.082     
1 1 1 2  12 57 o 33.7093 4.55802 8.8183       2.34953  7.70252      2.21126  25.5624     47.6867     2.16088     227.687     
1 1 1 2  12 58 o 18.6766 5.12527 3.52154      2.14022  1.97961      2.16502  9.15151     155.662     1.82764     335.662     
1 1 1 2  12 59 o 13.5666 4.34445 0.730821     1.95362  -0.111962    1.96963  1.68908     174.355     5.17462     354.355     
1 1 1 2  12 60 o 12.7423 4.17778 -1.02887     2.00404  0.813948     1.97185  2.09884     62.7558     1.5209      242.756     
1 1 1 2  12 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  13 0  o 376.606 1.84456 772.429      10.696   772.429      10.696   261.579     1.01608e-05 157.952     180         
1 1 1 2  13 1  f 612.528 1.96666 2033.36      19.1459  2053.65      17.9278  400.592     259.372     0           0           
1 1 1 2  13 2  o 298.767 1.8352  485.192      8.44337  487.099      8.44297  231.11      277.496     62.8063     97.4964     
1 1 1 2  13 3  o 432.105 1.85905 1001.74      12.3653  1032.21      12.3727  504.79      228.487     245.163     228.487     
1 1 1 2  13 4  o 260.369 1.83439 372.058      7.35683  366.393      7.35246  274.715     330.654     104.159     330.654     
1 1 1 2  13 5  o 266.598 1.89892 398.908      8.0708   375.499      7.52211  225.901     20.3278     12.6894     200.328     
1 1 1 2  13 6  o 106.402 1.89134 61.1481      3.09837  62.2212      3.0967   51.4118     102.043     37.2792     282.043     
1 1 1 2  13 7  o 257.981 2.06929 341.126      8.48229  384.604      7.89039  249.024     124.576     50.9551     124.576     
1 1 1 2  13 8  o 147.35  2.38796 121.342      5.42059  115.292      5.41364  84.5556     43.9744     74.4681     223.974     
1 1 1 2  13 9  o 63.212  2.66641 24.6474      2.57407  19.2286      2.56302  83.6728     178.438     261.706     178.438     
1 1 1 2  13 10 o 575.717 2.41292 1794.53      21.3887  1817.72      21.3938  573.514     342.051     115.034     342.051     
1 1 1 2  13 11 o 297.61  2.63069 482.327      12.0501  483.178      12.0621  298.63      60.7856     71.9542     60.7856     
1 1 1 2  13 12 o 160.912 2.40377 136.776      5.94767  145.514      5.96094  143.625     96.6006     15.4079     96.6005     
1 1 1 2  13 13 o 98.3602 2.51002 54.0397      3.79531  51.5822      3.79422  76.0943     253.881     14.7949     253.881     
1 1 1 2  13 14 f 39.8773 3.22028 10.416       1.98941  7.30222      1.86142  35.7773     260.802     0           0           
1 1 1 2  13 15 o 54.0053 2.68845 18.2108      1.99727  13.903       2.34721  3.25635     352.894     51.1314     172.894     
1 1 1 2  13 16 o 183.494 1.94574 184.712      5.67701  182.249      5.31504  151.675     217.049     16.3458     37.0485     
1 1 1 2  13 17 o 97.0224 1.97548 53.5097      2.95269  49.2221      2.94064  60.9517     170.885     36.7684     350.885     
1 1 1 2  13 18 o 223.663 1.8724  279.888      6.45396  265.438      6.44066  208.741     193.322     24.5408     193.322     
1 1 1 2  13 19 o 156.23  1.97779 135.201      4.57793  130.891      4.92535  128.399     200.734     12.583      20.7338     
1 1 1 2  13 20 o 232.874 1.87666 302.506      6.73418  288.726      6.72271  230.162     267.918     52.1027     267.918     
1 1 1 2  13 21 o 328.39  1.88438 584.517      9.52717  591.12       9.53063  369.265     207.226     159.072     207.226     
1 1 1 2  13 22 o 112.392 1.97846 68.3948      3.42427  69.3869      3.42115  105.927     170.384     29.3013     170.384     
1 1 1 2  13 23 f 167.958 1.98423 152.151      5.29691  155.474      4.95719  115.591     150.071     0           0           
1 1 1 2  13 24 o 247.527 1.89998 329.574      7.23263  338.541      7.25073  250.815     332.578     66.8792     332.578     
1 1 1 2  13 25 o 101.711 2.04412 57.5779      3.2035   55.3588      3.19239  61.1738     242.655     50.4455     62.6547     
1 1 1 2  13 26 o 90.9307 2.24855 43.4402      3.14156  46.925       3.14215  41.2193     215.995     71.035      35.9953     
1 1 1 2  13 27 o 71.2084 2.37961 27.2564      2.60573  28.2242      2.59735  61.0199     143.576     17.9888     143.576     
1 1 1 2  13 28 o 67.7537 2.40898 25.1699      2.59325  25.0859      2.41431  39.3005     67.4054     28.3276     247.405     
1 1 1 2  13 29 o 106.268 2.16254 67.5845      3.66949  56.0626      3.39766  84.3163     302.422     11.5589     122.422     
1 1 1 2  13 30 o 16.6018 4.5796  0.502699     1.73776  1.28239      1.67371  15.1062     23.6285     38.7498     23.6285     
1 1 1 2  13 31 o 42.0814 4.09337 12.313       2.34892  7.80738      2.6195   8.97085     253.926     46.3483     73.9261     
1 1 1 2  13 32 f 85.2339 2.45444 38.8617      3.06042  40.7926      3.36763  63.8508     301.333     0           0           
1 1 1 2  13 33 f 118.746 2.29613 81.1169      4.36124  73.4481      4.03027  93.7395     153.732     0           0           
1 1 1 2  13 34 o 68.0182 3.12409 25.0942      3.25231  26.0742      3.25574  47.5398     188.436     16.8794     8.4357      
1 1 1 2  13 35 o 71.9619 2.50333 27.4911      2.92957  29.5353      2.57277  61.0191     337.387     2.80304     337.387     
1 1 1 2  13 36 o 88.6137 2.34128 42.7066      3.39343  43.6843      2.9643   81.4437     255.711     12.8486     255.711     
1 1 1 2  13 37 o 99.5831 2.32152 53.1961      3.80089  56.0531      3.27222  86.2191     1.0356      2.03627     1.03559     
1 1 1 2  13 38 o 65.3489 2.60176 23.2577      2.80437  24.1047      2.38298  47.1273     342.836     16.3147     162.836     
1 1 1 2  13 39 o 57.8065 2.5202  18.64        2.23103  18.4702      2.23384  62.6421     180.356     30.4159     180.356     
1 1 1 2  13 40 o 44.1511 2.89356 10.5103      1.9408   11.4119      1.94618  36.6551     239.365     1.63821     239.365     
1 1 1 2  13 41 o 15.9672 4.26666 1.16153      1.4289   1.11675      1.44194  2.70264     334.85      24.6911     334.85      
1 1 1 2  13 42 o 26.1381 4.4239  3.50984      1.63697  4.76733      1.8872   14.906      218.866     8.96946     38.8659     
1 1 1 2  13 43 o 23.312  4.30935 2.24376      1.58478  4.348        1.63305  11.2742     278.025     12.7622     98.0251     
1 1 1 2  13 44 o 44.0958 3.00391 11.3186      2.02001  10.8946      2.00856  32.4017     205.929     8.3194      25.9285     
1 1 1 2  13 45 o 40.5502 3.45396 9.31685      2.21012  9.88844      1.99718  33.2724     267.476     0.742114    267.476     
1 1 1 2  13 46 o 44.4469 3.36356 11.5123      2.43226  11.5525      2.07872  39.6115     25.5955     7.15048     25.5955     
1 1 1 2  13 47 o 20.894  4.78383 3.61766      1.86647  1.75912      1.74729  4.62205     14.3554     21.1011     194.355     
1 1 1 2  13 48 o 19.6492 5.08131 1.50571      2.15767  2.93876      1.96179  6.78913     348.046     13.4777     168.046     
1 1 1 2  13 49 o 36.1532 3.76955 6.86103      2.00836  9.28336      2.0188   26.217      43.4233     5.631       223.423     
1 1 1 2  13 50 o 19.7796 5.4889  3.78476      2.62166  0.857029     2.44411  4.82411     272.797     2.74214     272.797     
1 1 1 2  13 51 o 34.5984 4.47561 8.5272       2.13756  7.28618      2.42129  29.8118     259.574     4.76464     259.574     
1 1 1 2  13 52 o 16.6278 4.67259 -0.553958    1.74836  3.14141      2.11584  6.20497     226.69      0.45533     226.69      
1 1 1 2  13 53 o 18.019  5.26255 1.61198      2.06152  2.51295      2.6682   7.25514     182.634     11.5052     2.63397     
1 1 1 2  13 54 o 18.1256 5.2393  0.764929     2.04907  3.72531      2.65137  11.6233     335.086     5.12154     335.086     
1 1 1 2  13 55 o 13.5589 4.32237 -0.0261793   1.86228  0.361035     1.95122  3.68404     323.311     0.783985    143.311     
1 1 1 2  13 56 o 31.1213 4.80274 5.90465      2.1836   8.74159      2.31631  31.0336     202.799     15.1914     202.799     
1 1 1 2  13 57 f 16.0843 4.71345 2.3386       1.92778  0.815514     1.98767  3.04891     340.806     0           0           
1 1 1 2  13 58 o 12.4154 4.07448 0.419306     1.9003   -1.41582     1.88995  0.139894    85.8812     5.16073     265.881     
1 1 1 2  13 59 f 17.5375 4.94667 1.18878      2.25874  3.73094      2.05318  14.7273     303.131     0           0           
1 1 1 2  13 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  14 0  o 238.438 1.83799 309.713      6.74672  309.713      6.74672  281.542     180         134.505     180         
1 1 1 2  14 1  o 278.227 1.83347 422.742      7.85724  420.568      7.85329  209.621     37.3251     70.2652     217.325     
1 1 1 2  14 2  o 214.867 1.83681 267.117      6.07684  236.314      6.06197  175.748     291.921     19.6107     111.921     
1 1 1 2  14 3  o 75.0787 1.9486  30.4105      2.2477   31.0863      2.25013  0.666439    28.2819     0.404352    208.282     
1 1 1 2  14 4  o 387.015 1.90572 856.003      11.7642  776.783      10.9553  352.98      269.06      18.7198     269.06      
1 1 1 2  14 5  o 172.503 1.84421 162.903      4.89873  161.294      4.89898  184.8       118.474     87.2225     118.474     
1 1 1 2  14 6  o 272.083 1.89665 410.745      8.21119  395.879      7.68078  246.963     255.771     15.7423     255.771     
1 1 1 2  14 7  o 372.027 2.11787 746.02       12.1312  762.225      12.1335  328.816     86.5398     3.33108     266.54      
1 1 1 2  14 8  o 78.478  2.50656 36.1531      3.01938  31.2118      3.01115  25.4809     46.9373     61.0887     226.937     
1 1 1 2  14 9  o 101.678 2.36595 59.2549      3.5232   53.6281      3.84504  32.7216     148.422     100.593     328.422     
1 1 1 2  14 10 o 249.473 2.63424 353.208      10.1276  325.701      10.1004  202.473     266.41      33.798      86.4095     
1 1 1 2  14 11 o 265.241 2.49877 390.863      10.7882  376.289      9.60929  211.373     65.1997     45.0971     245.2       
1 1 1 2  14 12 o 293.176 2.26224 468.308      10.6731  468.699      9.73076  282.528     118.256     47.6515     118.256     
1 1 1 2  14 13 o 401.917 2.3783  885.438      14.7238  875.931      14.7149  385.175     53.9497     56.3156     53.9497     
1 1 1 2  14 14 o 341.654 2.16316 630.618      11.3766  641.943      11.3839  342.767     91.0263     80.4466     91.0263     
1 1 1 2  14 15 o 161.805 2.19277 141.637      5.45677  143.811      5.47013  162.457     139.733     48.6262     139.733     
1 1 1 2  14 16 o 154.944 1.8836  136.087      4.49543  125.692      4.48795  141.307     275.327     17.8354     275.327     
1 1 1 2  14 17 o 278.248 1.94062 418.487      8.01643  425.519      8.60751  257.34      259.487     24.8734     259.487     
1 1 1 2  14 18 o 133.152 1.92016 95.4081      3.93452  97.8812      3.93927  129.095     224.876     36.9876     224.876     
1 1 1 2  14 19 o 108.701 1.95637 63.0712      3.2722   65.8118      3.27325  65.3937     233.477     49.8503     53.4766     
1 1 1 2  14 20 o 44.3264 2.52918 11.0138      1.74361  10.5701      1.67999  0.624563    79.2628     41.5385     259.263     
1 1 1 2  14 21 o 85.6833 2.10158 43.7967      2.65632  36.5355      2.84319  72.5155     264.211     14.1782     264.211     
1 1 1 2  14 22 o 115.241 1.98941 73.1966      3.53947  71.6362      3.52114  61.0332     78.8085     74.7835     258.809     
1 1 1 2  14 23 o 71.0799 2.18191 27.337       2.3844   27.887       2.38043  55.4655     345.458     2.83716     345.458     
1 1 1 2  14 24 o 127.001 1.98006 94.0686      3.86902  82.0491      3.86257  112.99      358.711     9.90897     358.711     
1 1 1 2  14 25 o 137.163 1.96897 105.625      4.16423  99.626       4.15103  108.335     7.85564     18.6523     187.856     
1 1 1 2  14 26 o 194.979 1.99605 212.197      5.80802  202.611      6.16223  212.787     4.11559     88.8502     4.11559     
1 1 1 2  14 27 o 120.075 2.16287 82.1339      4.00258  75.373       3.98718  120.01      0.0218029   37.8831     0.0218029   
1 1 1 2  14 28 o 103.646 2.43662 57.3487      3.51851  60.1804      4.23072  54.0595     209.758     68.8862     29.7582     
1 1 1 2  14 29 o 79.8466 2.51907 36.3227      2.93106  33.5616      3.22485  79.3125     192.107     28.584      192.107     
1 1 1 2  14 30 o 37.3436 4.06503 8.12238      2.27128  7.60626      2.25283  16.2778     337.318     7.73317     157.318     
1 1 1 2  14 31 o 148.267 2.31636 116.059      5.27844  124.564      5.29433  149.43      78.225      44.5655     78.225      
1 1 1 2  14 32 o 52.4686 3.0646  15.6687      2.52513  14.8159      2.38336  40.3136     79.6577     3.44655     79.6577     
1 1 1 2  14 33 o 77.5127 3.06523 36.3483      3.89217  30.1808      3.40154  74.4461     354.512     21.9651     354.512     
1 1 1 2  14 34 o 50.6171 2.6231  14.4931      2.03111  13.8349      2.02876  43.6025     152.38      9.9494      152.38      
1 1 1 2  14 35 o 77.5062 2.48802 35.1562      3.06779  31.1472      2.85654  57.8029     49.9389     15.0717     229.939     
1 1 1 2  14 36 o 79.9269 2.40015 33.5131      2.9461   37.0258      2.94262  60.37       348.256     14.9006     168.256     
1 1 1 2  14 37 o 61.3476 2.43326 22.4638      2.27612  19.2702      2.29063  61.9028     222.329     22.1503     222.329     
1 1 1 2  14 38 o 21.8095 4.00336 4.46704      1.49856  0.99639      1.5064   8.76058     82.622      8.45571     262.622     
1 1 1 2  14 39 f 57.3952 2.71143 17.5829      2.22746  19.2388      2.53779  49.9266     260.955     0           0           
1 1 1 2  14 40 o 24.289  4.43217 3.10063      1.7751   3.95813      1.58861  14.7138     136.243     0.147531    316.244     
1 1 1 2  14 41 o 67.1105 2.42738 27.1035      2.4966   23.1523      2.49156  73.0723     309.449     34.5402     309.449     
1 1 1 2  14 42 o 36.5118 3.44905 8.37997      1.92332  7.06872      1.85133  30.5332     231.6       2.28528     231.6       
1 1 1 2  14 43 o 50.8364 2.77804 13.7543      2.14069  15.5531      2.16975  35.2965     267.103     14.1341     87.1029     
1 1 1 2  14 44 o 44.7203 3.04368 12.08        2.07475  10.9142      2.06118  40.1402     128.156     7.57328     128.156     
1 1 1 2  14 45 o 33.0361 3.79332 7.20393      1.8488   5.89918      1.86293  27.708      181.97      4.52        181.97      
1 1 1 2  14 46 o 38.4641 3.4031  8.47193      1.9719   8.94625      1.96975  29.0725     345.764     3.28881     165.764     
1 1 1 2  14 47 o 73.2227 2.84079 31.4816      3.19388  30.2907      3.18694  69.6264     129.632     17.8683     129.632     
1 1 1 2  14 48 o 34.4626 4.09972 6.45954      2.07966  8.50161      2.09162  34.2169     42.6848     15.7495     42.6848     
1 1 1 2  14 49 o 20.5846 5.35304 3.08151      2.2329   2.59646      2.23408  8.68512     3.9613      13.0553     183.961     
1 1 1 2  14 50 o 52.6697 3.41387 17.3798      2.86513  16.4202      2.60929  47.1297     177.831     8.10152     177.831     
1 1 1 2  14 51 o 30.3205 5.17829 9.3075       2.61275  4.27868      2.36011  22.1393     293.809     2.43348     113.809     
1 1 1 2  14 52 o 16.3601 4.74741 2.4939       1.99704  -0.169698    2.06774  5.58118     133.366     2.04009     133.366     
1 1 1 2  14 53 o 20.2063 4.90945 1.09671      1.90105  4.8055       2.12491  14.6798     230.113     0.687601    230.113     
1 1 1 2  14 54 o 33.1347 4.85146 9.49047      2.3984   6.7281       2.39565  27.8415     348.759     3.93184     348.759     
1 1 1 2  14 55 o 24.5905 5.00745 6.08621      2.0851   3.52851      2.06246  19.9009     166.843     3.95007     166.843     
1 1 1 2  14 56 o 18.1032 5.04151 3.00582      1.99747  1.97481      2.21497  9.61841     221.29      0.752747    221.29      
1 1 1 2  14 57 o 12.3987 4.11912 -0.0325766   2.00348  -1.49149     2.04349  0.0241435   38.2913     3.02684     38.2914     
1 1 1 2  14 58 o 15.1623 4.68659 2.36667      2.06344  -0.287239    2.34501  4.71675     102.908     5.93813     282.908     
1 1 1 2  14 59 o 16.9043 4.91163 -0.683521    2.02701  4.8902       2.48383  10.2809     158.437     3.06899     158.437     
1 1 1 2  15 0  o 120.088 1.87362 78.6558      3.46093  78.6558      3.46093  93.0618     180         27.7363     8.30155e-06 
1 1 1 2  15 1  o 215.013 1.90171 254.193      6.50671  249.576      6.08258  165.577     120.601     43.2837     300.601     
1 1 1 2  15 2  o 101.465 1.89406 54.1379      2.95172  58.158       2.95922  49.4128     50.2888     64.1767     230.289     
1 1 1 2  15 3  o 137.879 1.85703 101.186      3.93843  105.992      3.94582  144.5       251.002     110.604     251.002     
1 1 1 2  15 4  o 203.716 1.84057 227.024      5.77611  225.182      5.77154  189.524     146.655     27.1964     146.655     
1 1 1 2  15 5  o 245.179 1.96704 311.973      7.4133   343.507      7.42753  231.304     328.808     34.4914     328.808     
1 1 1 2  15 6  o 216.752 1.95653 263.605      6.53427  248.512      6.52263  198.763     146.026     20.9462     146.026     
1 1 1 2  15 7  o 82.4976 2.09653 38.0331      2.44743  36.2555      2.84461  2.83379     243.422     127.714     63.4221     
1 1 1 2  15 8  f 107.379 2.05936 62.2036      3.38979  63.5693      3.41422  79.0136     68.8624     0           0           
1 1 1 2  15 9  o 305.596 2.63978 514.804      12.4264  503.874      12.4174  312.24      238.372     86.8844     238.372     
1 1 1 2  15 10 o 31.6321 4.12074 6.00724      2.18674  5.28676      1.67585  30.7065     248.679     89.4866     248.679     
1 1 1 2  15 11 o 275.859 2.26171 412.416      10.0373  417.334      9.15185  289.767     308.338     95.9816     308.338     
1 1 1 2  15 12 o 93.1038 2.51044 50.1949      3.59131  44.5774      3.58458  67.4104     247.763     11.6375     67.7628     
1 1 1 2  15 13 o 231.304 2.16056 284.996      7.6847   298.433      7.70375  219.727     91.3812     36.1999     91.3812     
1 1 1 2  15 14 o 139.418 2.21047 110.375      4.74438  101.68       4.74102  110.28      133.982     15.498      313.982     
1 1 1 2  15 15 o 195.687 2.17959 204.767      6.56279  212.875      6.57129  218.313     39.3035     101.812     39.3035     
1 1 1 2  15 16 o 75.0961 2.51281 31.854       3.0323   29.8353      2.76303  12.394      183.173     94.2        3.1732      
1 1 1 2  15 17 o 146.521 2.2258  112.867      5.0115   121.38       5.02807  119.503     15.9541     9.99832     195.954     
1 1 1 2  15 18 o 387.205 1.88442 813.963      11.2348  820.674      11.2369  381.617     108.327     82.3895     108.327     
1 1 1 2  15 19 o 61.0268 2.184   22.2485      2.03393  18.5641      2.04347  8.29471     255.587     77.8388     75.587      
1 1 1 2  15 20 o 135.161 2.01587 102.499      4.05614  96.7812      4.32084  122.166     144.449     14.6552     144.449     
1 1 1 2  15 21 o 290.331 1.88502 456.457      8.42596  462.715      8.42876  297.097     149.941     86.5055     149.941     
1 1 1 2  15 22 o 127.904 2.22006 96.9507      3.99109  81.9284      4.64508  124.987     139.071     34.3485     139.071     
1 1 1 2  15 23 o 104.039 2.02823 59.3994      3.24867  58.7652      3.24386  89.1185     188.081     5.71983     188.081     
1 1 1 2  15 24 o 177.35  2.01099 167.466      5.30875  175.732      5.67556  160.855     71.7849     16.1941     71.7849     
1 1 1 2  15 25 o 81.494  2.36148 35.5955      2.70537  37.0576      3.19705  71.4021     186.713     13.5492     186.713     
1 1 1 2  15 26 o 64.9208 2.33618 23.6098      2.32932  22.5505      2.32546  46.9907     211.845     7.2133      31.8447     
1 1 1 2  15 27 o 123.794 2.16192 87.743       4.11968  79.789       4.11244  129.971     315.743     50.1529     315.743     
1 1 1 2  15 28 o 143.49  2.27803 111.334      5.03892  113.739      5.02757  146.541     79.7953     47.681      79.7953     
1 1 1 2  15 29 o 104.728 2.64821 60.5198      4.63927  59.7868      3.85565  92.2488     206.457     8.01364     206.457     
1 1 1 2  15 30 o 134.163 2.24472 94.2651      4.79012  102.877      4.45251  122.028     118.318     15.473      118.318     
1 1 1 2  15 31 o 12.6622 3.87134 -2.00919     1.50687  0.688207     1.49188  11.5762     333.905     27.3902     333.905     
1 1 1 2  15 32 o 75.6244 3.10998 33.8009      3.81497  29.5553      3.40083  72.4504     186.473     21.3833     186.473     
1 1 1 2  15 33 o 74.1329 2.49588 31.2156      2.71914  29.3592      2.9484   75.8506     142.445     30.3413     142.445     
1 1 1 2  15 34 o 43.0124 3.02211 8.43545      1.94877  12.4312      1.92778  40.7802     266.146     21.055      266.146     
1 1 1 2  15 35 o 50.5552 2.80398 15.8599      2.03593  12.6879      2.24012  46.6255     44.9407     11.1673     44.9407     
1 1 1 2  15 36 o 78.6842 2.65509 34.2671      2.91924  34.4502      3.47155  82.1251     90.4027     32.3519     90.4027     
1 1 1 2  15 37 o 32.5793 3.64249 6.84631      1.87073  5.42629      1.66334  14.4895     298.62      22.3251     118.62      
1 1 1 2  15 38 o 49.6477 2.68902 13.2121      2.02871  14.3842      2.04935  40.8479     1.92403     0.47532     1.924       
1 1 1 2  15 39 o 62.8142 2.52588 23.15        2.49188  20.8783      2.37411  52.9166     344.956     1.28985     344.956     
1 1 1 2  15 40 o 42.1034 3.03195 10.8676      1.935    9.28217      1.93038  29.3684     114.479     9.927       294.479     
1 1 1 2  15 41 o 41.9703 3.03144 9.50034      1.91718  10.5842      1.94234  38.4385     7.08906     8.62658     7.08906     
1 1 1 2  15 42 o 64.2719 2.49538 22.1813      2.44496  24.2452      2.47274  69.8288     282.672     33.1551     282.672     
1 1 1 2  15 43 o 41.7555 3.15967 8.56477      1.95401  11.7006      2.00687  34.0734     262.935     0.752502    262.935     
1 1 1 2  15 44 o 66.0865 2.51975 23.6044      2.55174  25.782       2.5537   66.0763     76.8173     23.1962     76.8173     
1 1 1 2  15 45 o 69.678  2.50132 29.1673      2.67373  25.8407      2.66848  61.0282     143.765     6.85728     143.765     
1 1 1 2  15 46 o 55.7376 3.16826 16.8047      2.68751  19.5964      2.6903   53.1909     276.541     15.5408     276.541     
1 1 1 2  15 47 f 45.0918 3.21524 13.175       2.18163  11.0187      2.20123  37.0721     81.6243     0           0           
1 1 1 2  15 48 o 23.0391 5.21757 2.55178      2.15694  4.8443       2.17962  7.39854     308.528     20.6353     128.528     
1 1 1 2  15 49 o 32.8415 4.82499 10.2437      2.52672  4.83565      2.25608  24.1738     35.7665     3.45514     215.767     
1 1 1 2  15 50 o 36.3867 3.8569  8.18998      2.07135  8.6869       2.11744  29.9263     309.979     2.49657     309.979     
1 1 1 2  15 51 o 22.7217 5.03122 5.1459       2.12857  2.52079      1.92514  13.0905     263.996     7.85112     83.9958     
1 1 1 2  15 52 o 17.0174 4.90362 1.93079      1.8994   1.58458      2.17342  10.5733     321.854     3.68375     321.854     
1 1 1 2  15 53 o 14.9431 4.46308 2.03702      1.84298  -0.429396    1.88318  5.41686     308.467     8.31247     128.467     
1 1 1 2  15 54 o 14.9066 4.6208  0.122268     2.02712  1.53483      2.07817  6.40489     209.063     3.99088     29.0631     
1 1 1 2  15 55 o 14.7252 4.67005 1.99158      2.46654  -0.557517    1.90712  4.27941     345.265     8.12435     165.265     
1 1 1 2  15 56 o 14.496  4.52878 1.74951      2.1067   -0.36724     1.93451  1.62082     186.62      4.11035     6.62019     
1 1 1 2  15 57 f 20.3613 5.30722 3.89455      2.26515  3.66825      2.12263  14.0199     22.0536     0           0           
1 1 1 2  15 58 o 17.8402 4.99992 3.44577      2.06904  2.18964      2.0738   11.3348     268.833     2.83545     268.833     
1 1 1 2  16 0  o 107.735 1.88153 63.3365      3.11717  63.3365      3.11717  119.993     1.90583e-05 52.8201     1.90583e-05 
1 1 1 2  16 1  o 283.13  1.84361 427.158      8.03265  446.586      8.04043  272.558     286.696     49.3862     286.696     
1 1 1 2  16 2  o 235.087 2.12033 300.832      7.67423  301.65       7.6773   227.062     198.272     45.0835     198.272     
1 1 1 2  16 3  o 139.6   1.8608  109.236      4.00103  103.201      3.99692  134.975     104.301     37.3067     104.301     
1 1 1 2  16 4  o 160.092 1.97994 139.98       4.88107  139.385      4.88098  158.254     44.0665     45.5017     44.0665     
1 1 1 2  16 5  o 50.2985 2.2491  14.0478      1.73296  13.649       1.73296  2.23253     52.2378     54.5841     232.238     
1 1 1 2  16 6  o 268.283 1.83739 393.799      7.59144  390.659      7.58999  231.735     309.388     5.81589     129.388     
1 1 1 2  16 7  o 114.022 1.95715 71.1212      3.32076  70.6404      3.54456  65.5058     186.123     59.2729     6.12272     
1 1 1 2  16 8  o 101.104 2.39898 57.4393      4.11569  54.1994      3.32136  52.2179     135.877     61.651      315.877     
1 1 1 2  16 9  o 324.037 2.50273 570.941      13.1504  574.529      11.7838  337.459     2.22596     107.852     2.22596     
1 1 1 2  16 10 o 146.695 2.30849 117.138      5.4527   117.569      4.96433  144.161     20.649      43.3528     20.649      
1 1 1 2  16 11 f 151.063 2.53908 131.17       6.2667   118.002      5.54988  68.4742     105.322     0           0           
1 1 1 2  16 12 o 101.643 2.39327 57.7216      3.55572  55.1251      3.90743  64.7399     29.0712     35.2119     209.071     
1 1 1 2  16 13 o 124.919 2.24302 86.0785      4.3075   84.2434      4.31445  83.0571     26.8646     43.0776     206.865     
1 1 1 2  16 14 o 67.8323 2.46632 24.6349      2.56309  25.7122      2.57121  23.6699     194.149     54.0041     14.1488     
1 1 1 2  16 15 o 174.786 2.19891 153.072      5.8853   180.742      5.92398  169.742     322.57      40.8786     322.57      
1 1 1 2  16 16 o 19.2152 4.36091 2.25557      1.46406  1.67097      1.4762   32.7205     326.302     76.3681     326.302     
1 1 1 2  16 17 o 190.03  2.19958 192.041      6.42783  201.973      6.44256  176.697     222.492     25.6824     222.492     
1 1 1 2  16 18 o 159.9   2.19433 136.626      5.48158  142.348      5.31826  116.775     266.348     41.878      86.348      
1 1 1 2  16 19 o 97.4656 2.37238 49.7852      3.5549   54.0583      3.55093  87.2414     82.4397     15.8351     82.4397     
1 1 1 2  16 20 o 69.9011 2.21019 26.7022      2.44033  26.7186      2.30364  36.7476     9.05215     36.8638     189.052     
1 1 1 2  16 21 o 49.8475 2.75919 13.2959      1.87181  14.0229      2.31595  22.7923     233.638     4.20639     53.6376     
1 1 1 2  16 22 o 102.913 2.04436 56.3716      3.22692  59.298       3.24512  87.1229     303.528     4.68525     303.528     
1 1 1 2  16 23 o 64.9317 2.25601 24.0788      2.24913  22.0843      2.24539  47.6736     129.875     2.00615     309.875     
1 1 1 2  16 24 o 41.1904 2.8332  7.79574      1.74947  11.0843      1.7498   8.55079     174.252     39.8373     354.252     
1 1 1 2  16 25 o 64.8768 2.39639 22.3761      2.44186  23.7624      2.32263  48.6853     288.009     5.58208     108.009     
1 1 1 2  16 26 o 23.3993 4.27812 3.06495      1.63847  3.19583      1.4705   2.73329     160.072     16.6766     160.072     
1 1 1 2  16 27 o 31.731  3.70129 5.46506      1.71915  5.91267      1.77171  8.38552     166.933     61.0679     166.933     
1 1 1 2  16 28 o 165.051 2.8637  148.115      8.12737  151.009      6.27939  154.784     253.642     27.5368     253.642     
1 1 1 2  16 29 o 31.1594 4.06703 3.77856      1.87079  7.56252      1.82859  0.659741    216.834     38.6617     36.8336     
1 1 1 2  16 30 o 94.1608 2.28771 47.2531      3.30712  50.0656      3.31536  51.1181     278.654     56.6987     98.654      
1 1 1 2  16 31 o 23.8153 4.88733 4.1828       1.96066  2.31056      1.92042  2.03873     181.441     11.9803     1.44126     
1 1 1 2  16 32 o 20.099  4.54813 2.70296      1.53602  1.68659      1.70901  1.67249     181.864     21.8694     181.864     
1 1 1 2  16 33 o 122.746 2.21634 84.9912      3.88432  80.7692      4.45214  106.199     209.316     3.59676     209.316     
1 1 1 2  16 34 o 38.3346 3.18752 7.95695      1.83988  8.63291      1.84888  36.9619     23.8009     18.1773     23.8009     
1 1 1 2  16 35 o 17.0383 4.30372 1.63055      1.42725  1.27103      1.43454  0.850773    279.188     14.0108     99.1882     
1 1 1 2  16 36 o 55.8686 2.6823  19.4836      2.17366  15.4598      2.35991  59.0874     95.594      27.8533     95.594      
1 1 1 2  16 37 o 23.8668 4.62208 3.05566      1.73411  3.79054      1.77334  6.22419     17.9844     22.2647     197.984     
1 1 1 2  16 38 o 22.1699 4.51988 3.3761       1.72938  2.5195       1.53531  10.9277     236.961     5.09003     56.9606     
1 1 1 2  16 39 o 43.9974 2.91693 12.3462      1.9373   9.64983      1.94072  43.0162     127.267     15.4703     127.267     
1 1 1 2  16 40 o 17.1765 4.41543 0.712044     1.65981  2.08636      1.48003  7.65327     64.9707     6.02492     244.971     
1 1 1 2  16 41 o 32.3708 3.76459 7.73115      1.78895  4.84217      1.77373  21.708      15.3673     7.79775     195.367     
1 1 1 2  16 42 f 26.6318 4.24347 3.61225      1.68593  5.16465      1.7272   16.9394     253.988     0           0           
1 1 1 2  16 43 o 14.1621 4.17655 0.814455     1.53586  0.108215     1.51312  0.695134    322.919     11.0553     142.919     
1 1 1 2  16 44 o 55.9813 2.71666 19.8826      2.31147  16.0193      2.31891  50.4279     319.803     9.74858     319.803     
1 1 1 2  16 45 o 44.3964 3.60536 12.907       2.40176  10.7796      2.41444  30.5406     202.499     10.6275     22.4991     
1 1 1 2  16 46 o 15.6232 4.34488 -0.406269    1.69535  2.1283       1.63145  2.44393     51.412      15.2001     231.412     
1 1 1 2  16 47 o 29.9764 4.74706 8.18471      2.28917  4.17534      2.06499  21.6311     114.669     3.41578     294.669     
1 1 1 2  16 48 o 27.4974 4.87555 8.25871      2.30658  2.45229      2.27395  20.2797     136.845     1.25509     316.845     
1 1 1 2  16 49 o 18.886  4.90524 1.2156       2.09106  3.24257      1.86702  10.3228     32.9882     2.63311     212.988     
1 1 1 2  16 50 o 17.1046 4.5065  3.47762      1.86205  -0.693225    1.83665  9.65701     285.634     2.86015     285.634     
1 1 1 2  16 51 o 16.0553 4.73319 0.809232     2.04722  1.81282      1.89649  9.32114     58.3541     0.761297    238.354     
1 1 1 2  16 52 o 28.5355 5.11405 4.89696      2.32276  7.72435      2.28858  26.2557     201.727     10.3027     201.727     
1 1 1 2  16 53 o 20.0689 4.79879 5.23736      2.04585  0.0354067    2.30823  13.8053     356.26      0.436499    356.26      
1 1 1 2  16 54 o 26.3291 5.09654 5.50138      2.07313  5.55804      2.18099  14.0823     318.304     11.5324     138.304     
1 1 1 2  16 55 o 15.322  4.65529 2.07304      1.97344  0.0382425    2.14138  1.859       77.1777     12.4369     257.178     
1 1 1 2  16 56 o 15.5874 4.79197 1.73904      2.23715  1.27454      2.04806  2.56519     345.714     0.778331    165.714     
1 1 1 2  16 57 o 14.461  4.54331 1.0046       2.02616  1.25104      2.02732  1.01919     178.143     0.146206    178.143     
1 1 1 2  16 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  17 0  o 36.5952 2.40914 7.48535      1.32904  7.48535      1.32904  9.69479     180         42.5166     180         
1 1 1 2  17 1  o 250.583 1.84855 355.196      7.1368   329.51       7.12222  225.097     174.334     15.9399     174.334     
1 1 1 2  17 2  o 118.128 2.03816 76.7098      3.95749  75.4894      3.43961  105.994     1.51856     21.5937     1.51856     
1 1 1 2  17 3  o 173.035 1.98037 157.503      5.26922  169.029      5.27978  180.685     17.3438     69.8903     17.3438     
1 1 1 2  17 4  o 156.441 1.99744 134.012      4.81316  132.823      4.81054  154.606     166.17      47.4845     166.17      
1 1 1 2  17 5  o 140.636 1.93934 106.254      4.06216  109.386      4.33653  103.67      88.9797     29.1582     268.98      
1 1 1 2  17 6  o 115.801 1.96342 74.1971      3.38476  72.0594      3.60716  115.71      330.008     51.2804     330.008     
1 1 1 2  17 7  o 47.6165 2.47755 11.4607      1.79538  13.4522      1.80358  8.36997     286.449     74.7099     286.449     
1 1 1 2  17 8  o 82.2627 2.25729 40.1135      3.11664  33.9419      2.59616  62.1495     24.068      9.33424     24.068      
1 1 1 2  17 9  o 77.8912 2.04203 34.6963      2.59332  31.5904      2.29764  57.5666     13.4153     20.0077     13.4153     
1 1 1 2  17 10 o 194.72  2.39527 213.263      7.18745  200.545      7.17224  148.471     66.8259     38.1283     246.826     
1 1 1 2  17 11 o 11.4308 3.57119 -0.270788    1.15347  -0.533528    1.31834  5.02748     312.232     10.5324     312.232     
1 1 1 2  17 12 o 194.125 2.30037 199.553      6.53997  211.694      7.21197  161.155     199.285     11.6472     19.2854     
1 1 1 2  17 13 o 97.7531 2.33205 54.1883      3.5067   50.2352      3.50044  55.2698     146.74      51.0969     326.74      
1 1 1 2  17 14 o 370.012 2.285   748.467      13.615   745.389      12.3977  374.34      214.115     104.522     214.115     
1 1 1 2  17 15 o 32.9694 3.68512 4.55546      1.75272  7.84619      1.78644  2.59138     271.197     27.3589     271.197     
1 1 1 2  17 16 o 169.434 2.21693 149.503      5.76883  163.888      5.79137  187.862     310.498     88.3921     310.498     
1 1 1 2  17 17 o 160.397 2.23191 138.794      5.51074  141.945      5.51411  152.444     323.564     32.0764     323.564     
1 1 1 2  17 18 o 40.5022 3.30204 8.71762      2.02919  9.47474      2.0099   2.62816     260.704     42.829      80.704      
1 1 1 2  17 19 o 92.0122 2.41538 46.8067      3.41376  45.768       3.41861  76.6899     62.977      5.39959     62.977      
1 1 1 2  17 20 o 35.7134 3.49628 8.3205       1.98066  6.01028      1.75233  2.30421     324.738     7.87281     144.738     
1 1 1 2  17 21 o 99.9448 2.10336 51.9294      3.31317  57.2618      3.13679  51.9972     13.9969     63.7105     193.997     
1 1 1 2  17 22 o 96.5641 2.30655 48.4372      3.48185  53.6071      3.35321  66.1287     281.337     29.0797     101.337     
1 1 1 2  17 23 o 141.723 1.98604 108.951      4.33639  110.345      4.33208  136.538     84.531      32.1616     84.531      
1 1 1 2  17 24 o 72.4297 2.47817 26.0514      2.92505  31.6048      2.50779  75.6759     237.818     41.2633     237.818     
1 1 1 2  17 25 o 21.6689 4.46772 2.34788      1.81626  2.87061      1.39117  20.0398     181.059     63.4946     181.059     
1 1 1 2  17 26 o 83.865  2.38903 40.6861      2.94914  36.5073      3.18386  68.3818     121.153     0.542148    301.153     
1 1 1 2  17 27 o 61.7502 2.6917  24.7463      2.52543  17.5707      2.51102  49.0616     20.7769     1.9512      20.7769     
1 1 1 2  17 28 o 17.6545 4.33816 1.4622       1.43351  1.68044      1.45398  9.79638     134.568     30.6884     134.568     
1 1 1 2  17 29 o 80.0398 2.77106 35.3558      3.40285  35.3428      3.4072   64.4435     242.333     3.49306     62.3328     
1 1 1 2  17 30 o 12.0358 3.74078 0.23981      1.38738  -1.19253     1.36432  12.485      83.2164     31.8801     83.2164     
1 1 1 2  17 31 o 129.864 2.2699  92.7437      4.33177  92.7862      4.73337  137.24      248.832     54.9592     248.832     
1 1 1 2  17 32 o 11.6996 3.60645 -1.94629     1.35469  0.567048     1.30705  2.02648     38.4592     6.75067     38.4592     
1 1 1 2  17 33 o 59.7858 2.52033 18.8739      2.21671  20.8114      2.40405  52.5942     217.198     6.90651     217.198     
1 1 1 2  17 34 o 88.5113 2.23977 44.6833      2.91987  41.9158      3.16019  77.051      187.399     5.73645     187.399     
1 1 1 2  17 35 o 27.1062 4.0426  3.80903      1.63574  4.89077      1.63515  14.5445     45.0927     9.99633     225.093     
1 1 1 2  17 36 o 33.1184 3.54043 6.2095       1.74961  6.46504      1.74826  20.8646     121.068     9.42423     301.068     
1 1 1 2  17 37 o 21.4513 4.42224 1.58512      1.49756  3.90888      1.72724  9.56119     331.394     8.97354     151.394     
1 1 1 2  17 38 o 30.424  4.34268 5.79615      1.88422  5.33977      2.04106  24.8781     29.0942     3.59177     29.0941     
1 1 1 2  17 39 o 43.445  3.18083 10.1649      2.19291  11.5162      1.96605  38.5229     287.285     6.71717     287.285     
1 1 1 2  17 40 o 34.5814 3.5183  6.2595       1.80738  7.82079      1.81059  23.3101     12.7279     8.13822     192.728     
1 1 1 2  17 41 o 34.4425 3.54524 6.81882      1.82636  7.20858      1.82242  27.9207     239.297     2.66177     239.297     
1 1 1 2  17 42 o 60.4079 2.59364 20.6557      2.39188  20.7317      2.41065  59.9328     36.4254     21.7753     36.4254     
1 1 1 2  17 43 o 25.413  4.38568 2.95778      1.74847  5.25525      1.72981  4.44897     5.30934     30.0992     185.309     
1 1 1 2  17 44 o 25.8979 4.85551 3.35808      2.01043  5.54353      2.01247  13.3369     231.458     12.0652     51.4584     
1 1 1 2  17 45 o 35.6681 3.93654 7.61161      2.09302  8.25622      2.08649  31.0631     345.771     6.51174     345.771     
1 1 1 2  17 46 o 30.5804 4.60182 6.38688      2.10111  6.07667      2.09993  23.3976     245.38      0.714985    65.38       
1 1 1 2  17 47 o 39.5924 4.39122 12.5867      2.54845  8.10007      2.52275  39.1729     172.996     16.4764     172.996     
1 1 1 2  17 48 o 15.3261 4.38779 2.09332      1.70937  -0.283088    1.71697  5.02734     173.921     1.82225     353.921     
1 1 1 2  17 49 o 14.2758 4.33767 1.37871      1.7525   -0.418826    1.79476  4.49957     120.754     0.0900264   120.754     
1 1 1 2  17 50 o 18.4652 4.88511 1.72359      1.90696  3.04407      1.90535  11.8172     295.631     1.44796     115.631     
1 1 1 2  17 51 o 17.1256 4.63471 3.47694      1.92755  -0.0676093   1.86523  10.1391     216.531     0.561637    216.531     
1 1 1 2  17 52 o 16.7542 4.78666 0.518928     2.13437  2.8127       1.92427  8.08414     317.603     5.37239     137.603     
1 1 1 2  17 53 o 15.1032 4.65077 2.21637      2.12372  -0.62211     2.12448  5.24551     249.11      5.37095     69.11       
1 1 1 2  17 54 o 20.2751 4.98514 1.25227      2.10687  5.17477      2.14304  9.74263     195.838     4.44558     15.838      
1 1 1 2  17 55 o 20.8438 5.06919 2.38199      2.06442  5.091        2.09775  12.6481     28.1401     0.295938    28.1399     
1 1 1 2  17 56 o 13.1928 4.31613 -1.00501     1.96131  1.2981       2.20005  2.86675     259.585     9.43498     79.5848     
1 1 1 2  17 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  18 0  o 285.771 1.85655 445.006      8.16832  445.006      8.16832  283.549     180         68.0867     180         
1 1 1 2  18 1  o 61.031  2.1372  22.4792      2.07222  18.3509      1.9287   28.7786     80.6077     2.19492     80.6077     
1 1 1 2  18 2  o 59.1986 2.26535 21.5841      2.04594  16.9022      2.04474  20.7889     152.67      39.8086     332.67      
1 1 1 2  18 3  o 57.5872 2.35541 17.8857      2.16402  18.421       1.9886   23.9433     127.604     24.7915     307.604     
1 1 1 2  18 4  o 194.563 1.86585 193.57       5.57327  219.563      5.59162  208.929     302.508     87.513      302.508     
1 1 1 2  18 5  f 72.0224 2.16109 28.2094      2.38986  28.4736      2.3928   74.623      234.018     0           0           
1 1 1 2  18 6  o 223.546 2.14185 273.597      7.37613  271.494      7.36987  204.716     327.514     25.323      327.514     
1 1 1 2  18 7  f 58.7404 2.31408 18.1865      2.15169  19.5913      2.00757  60.7365     282.066     0           0           
1 1 1 2  18 8  o 179.217 1.80362 177.837      4.97886  172.364      4.97537  132.131     359.992     42.6632     179.992     
1 1 1 2  18 9  o 135.27  2.02828 109.118      4.50313  90.8673      3.95263  81.0591     227.892     67.4969     47.8919     
1 1 1 2  18 10 o 122.416 2.358   74.4603      4.21108  89.5501      4.67284  129.379     244.024     57.896      244.024     
1 1 1 2  18 11 o 128.13  2.25903 87.692       4.44911  91.5238      4.46021  67.6275     99.2671     81.9408     279.267     
1 1 1 2  18 12 o 56.728  2.82075 18.4694      2.31996  16.8767      2.55502  27.5224     288.446     25.4281     108.446     
1 1 1 2  18 13 o 81.3306 2.42593 36.119       3.03025  36.214       3.03257  57.4352     103.794     14.0251     283.794     
1 1 1 2  18 14 o 95.1749 2.4864  49.8237      3.81287  49.2143      3.45579  100.785     41.0397     57.274      41.0397     
1 1 1 2  18 15 o 184.468 2.20871 188.624      6.27677  182.768      6.27033  179.797     96.3692     45.9358     96.3692     
1 1 1 2  18 16 o 308.731 2.18273 516.051      10.3763  524.263      10.3771  306.763     38.8831     82.1765     38.8831     
1 1 1 2  18 17 o 42.5894 3.23277 11.0632      2.08352  9.06938      2.07227  11.4869     122.363     26.9631     302.363     
1 1 1 2  18 18 o 126.152 2.55722 88.1439      5.43874  85.9131      4.44776  109.774     303.057     8.09078     303.057     
1 1 1 2  18 19 o 64.3906 2.83521 24.7759      2.93321  20.8477      2.66241  58.222      338.281     26.5795     338.281     
1 1 1 2  18 20 o 98.5278 2.40833 54.4542      3.65207  51.8002      3.64333  65.4949     54.7819     33.857      234.782     
1 1 1 2  18 21 o 41.8646 3.37522 10.065       2.16258  9.42626      2.11104  18.8321     106.817     20.076      286.817     
1 1 1 2  18 22 o 168.561 1.92411 144.045      4.79836  166.68       5.19129  149.103     337.686     11.6193     337.686     
1 1 1 2  18 23 f 190.601 1.98374 195.064      5.59956  201.967      6.04307  111.651     267.086     0           0           
1 1 1 2  18 24 o 25.6829 3.5728  4.86012      1.37201  2.76719      1.34713  16.6815     96.4461     65.1829     96.4461     
1 1 1 2  18 25 o 104.088 2.36494 56.2094      3.48983  62.7387      4.08215  121.148     89.7112     73.2797     89.7112     
1 1 1 2  18 26 o 83.6082 2.59232 37.3794      2.91212  39.5558      3.71668  69.0896     73.2896     0.824728    73.2899     
1 1 1 2  18 27 o 32.1882 3.44634 7.73119      1.60755  4.24063      1.59725  10.2706     266.467     22.8741     86.4667     
1 1 1 2  18 28 o 42.6695 2.974   10.5337      1.87427  9.77864      1.97455  18.0105     349.504     30.8785     169.504     
1 1 1 2  18 29 o 93.1481 2.54025 48.677       3.80933  47.1198      3.46062  101.084     171.271     47.6594     171.271     
1 1 1 2  18 30 o 104.454 2.38714 60.2296      3.84388  60.1756      3.82536  94.7086     308.532     13.9169     308.532     
1 1 1 2  18 31 o 20.4606 4.16484 2.036        1.38675  2.82375      1.40021  6.07736     202.833     6.80973     22.8334     
1 1 1 2  18 32 o 27.3288 3.90071 4.52978      1.64326  4.20786      1.52703  10.2235     211.672     20.0303     31.6717     
1 1 1 2  18 33 o 57.1082 2.67789 20.0268      2.33932  16.4699      2.3265   50.4681     245.605     7.9662      245.605     
1 1 1 2  18 34 o 18.1191 4.28031 0.869496     1.39988  2.65105      1.52547  3.8963      186.761     8.98725     6.76085     
1 1 1 2  18 35 o 55.5994 2.55296 18.5088      2.17516  16.08        2.16449  37.0523     193.881     17.1032     13.8809     
1 1 1 2  18 36 f 58.4527 2.68888 19.8101      2.55     18.5608      2.2626   50.6377     275.505     0           0           
1 1 1 2  18 37 o 14.6624 3.97398 -1.03772     1.44981  1.90655      1.4193   4.20565     261.808     5.52228     81.8075     
1 1 1 2  18 38 o 77.7862 2.3072  32.7364      2.75071  34.9296      2.7623   71.7761     67.1407     14.9958     67.1407     
1 1 1 2  18 39 o 30.3738 4.31501 5.73673      1.92348  5.57978      1.97234  10.2936     214.099     27.0525     34.0988     
1 1 1 2  18 40 o 12.4394 3.92499 -0.770238    1.63114  -0.0485022   1.45251  0.323586    321.865     5.52774     321.865     
1 1 1 2  18 41 o 76.3083 2.39048 34.501       2.80903  31.1838      2.79006  72.7659     166.533     20.8112     166.533     
1 1 1 2  18 42 o 21.1032 4.49207 3.97443      1.6841   1.58322      1.65722  9.03312     342.439     10.8434     162.439     
1 1 1 2  18 43 o 20.5693 4.79646 1.24576      1.90203  3.98681      1.88487  11.1978     4.13146     3.18344     4.13146     
1 1 1 2  18 44 o 28.8797 4.51636 6.68639      1.9696   4.36312      1.96812  17.0328     193.872     10.4866     13.8724     
1 1 1 2  18 45 o 14.8824 4.53185 0.309081     2.04639  0.764927     1.73846  6.02807     250.402     4.1241      70.4021     
1 1 1 2  18 46 o 27.5804 5.22814 4.91273      2.28589  6.04417      2.26845  10.4008     190.409     21.7748     10.4089     
1 1 1 2  18 47 o 16.4892 4.62744 2.42808      1.74011  -0.0429527   2.07144  5.85795     97.7285     0.694516    97.7285     
1 1 1 2  18 48 o 14.4511 4.35943 1.2975       1.7471   0.101404     1.72327  6.4748      149.808     3.43982     329.808     
1 1 1 2  18 49 o 13.6828 4.19018 1.63796      1.74827  -1.482       1.77221  3.74075     277.736     0.154656    277.736     
1 1 1 2  18 50 o 16.431  4.74776 1.78356      1.90156  1.57696      1.90737  8.64304     115.705     1.40909     295.705     
1 1 1 2  18 51 o 20.7892 5.10337 4.35193      2.05817  2.62956      2.03176  11.7546     329.159     5.95447     149.159     
1 1 1 2  18 52 o 14.0465 4.37758 1.53716      1.92372  -0.501654    1.86214  3.34603     340.013     6.82771     160.013     
1 1 1 2  18 53 o 16.2946 4.8589  2.10458      2.19025  1.35755      1.97763  2.57354     44.1576     2.12103     224.158     
1 1 1 2  18 54 o 15.7168 4.81091 1.50734      2.05501  1.7104       2.22858  3.68372     256.343     1.25885     76.3426     
1 1 1 2  18 55 o 16.0985 4.84881 2.43163      2.12035  1.57859      2.1246   8.06466     239.428     0.385997    239.428     
1 1 1 2  18 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  19 0  o 69.0281 2.43157 26.1656      2.56995  26.1656      2.56995  13.0714     180         8.98098     180         
1 1 1 2  19 1  o 137.716 2.04347 112.665      4.33148  94.5954      4.31236  133.106     295.352     36.699      295.352     
1 1 1 2  19 2  o 165.676 1.9446  148.222      4.79455  151.13       5.12502  172.049     51.1232     65.2802     51.1232     
1 1 1 2  19 3  o 102.085 2.03392 52.943       3.27137  60.9559      3.08917  86.9527     278.752     8.30673     278.752     
1 1 1 2  19 4  o 248.891 1.99582 344.73       7.65322  330.971      7.64313  235.377     50.1008     44.4168     50.1008     
1 1 1 2  19 5  f 67.1637 2.38748 24.147       2.45938  25.217       2.46243  72.9891     148.095     0           0           
1 1 1 2  19 6  o 207.481 2.08062 234.228      6.88889  235.369      6.39576  193.708     303.903     33.8316     303.903     
1 1 1 2  19 7  o 90.1079 2.05597 43.2577      2.75196  45.4175      2.94629  92.4028     212.003     51.851      212.003     
1 1 1 2  19 8  o 117.669 2.24356 69.0589      3.68488  82.4444      4.44603  116.265     227.777     40.6163     227.777     
1 1 1 2  19 9  o 87.7519 2.48736 39.0752      3.18225  45.2535      3.52933  39.4041     193.964     64.4486     13.9639     
1 1 1 2  19 10 o 176.385 2.15453 174.653      6.11742  164.916      5.58612  153.683     264.766     8.6651      264.766     
1 1 1 2  19 11 o 88.7421 2.40485 46.8967      3.28323  39.3827      3.25997  43.722      7.85879     57.1317     187.859     
1 1 1 2  19 12 o 158.595 2.23572 139.323      5.46146  135.259      5.45778  149.713     112.251     32.8629     112.251     
1 1 1 2  19 13 o 197.336 2.33643 209.22       7.421    216.041      6.75047  168.49      100.935     1.42893     100.935     
1 1 1 2  19 14 o 148.737 2.50891 123.184      6.29952  118.635      5.14907  128.566     169.757     6.70939     169.757     
1 1 1 2  19 15 o 73.7171 2.6507  27.5412      3.08874  32.1126      2.87425  48.3431     183.333     20.8328     3.3334      
1 1 1 2  19 16 o 50.1099 3.15215 14.7735      2.53391  12.9825      2.28217  32.9143     339.61      2.02261     159.61      
1 1 1 2  19 17 o 55.6664 2.84296 17.9081      2.41758  16.215       2.41855  47.3539     271.688     18.0651     271.688     
1 1 1 2  19 18 o 21.3451 4.69203 2.37809      1.69745  2.64226      1.7145   1.90477     152.537     7.68727     152.537     
1 1 1 2  19 19 o 74.4855 2.71412 31.5673      2.95892  29.3864      3.22684  56.5915     77.0647     6.38174     257.065     
1 1 1 2  19 20 o 91.7655 2.43147 46.8445      3.43117  45.4722      3.4279   97.8552     281.828     49.1554     281.828     
1 1 1 2  19 21 o 182.341 2.35074 183.104      6.29154  180.941      6.89177  175.125     168.472     42.3543     168.472     
1 1 1 2  19 22 o 113.176 2.60623 69.964       4.06171  70.7121      4.96781  87.9913     238.686     12.6148     58.6865     
1 1 1 2  19 23 o 96.8962 2.35537 54.6998      3.4191   48.4436      3.57751  82.968      287.215     6.14555     287.215     
1 1 1 2  19 24 o 83.3574 2.6893  36.5533      3.86647  40.0465      2.89304  68.6519     38.1918     0.789376    38.1917     
1 1 1 2  19 25 o 24.3863 3.74315 3.76187      1.35103  3.10601      1.38137  3.19767     132.97      7.91743     312.97      
1 1 1 2  19 26 f 47.6329 2.66966 12.5416      1.92972  12.6238      1.95462  34.0473     317.446     0           0           
1 1 1 2  19 27 o 50.2727 2.61662 13.3012      2.00981  14.7548      2.00841  17.7381     215.794     46.4343     35.7939     
1 1 1 2  19 28 o 46.7485 2.83755 15.187       2.08131  9.52829      1.90983  36.7929     53.8878     0.86983     233.888     
1 1 1 2  19 29 o 48.0175 2.88094 12.6951      2.06875  13.0929      2.15157  18.8979     28.9951     40.5033     208.995     
1 1 1 2  19 30 o 72.565  2.34677 29.1834      2.61567  29.1123      2.6151   69.0198     82.9417     18.8325     82.9417     
1 1 1 2  19 31 o 43.3644 2.84211 10.7285      1.93161  10.4002      1.82052  41.7894     322.369     16.9692     322.369     
1 1 1 2  19 32 o 63.417  2.48708 22.4005      2.49882  22.3864      2.33666  66.4585     1.19098     30.3781     1.19098     
1 1 1 2  19 33 o 49.7325 2.86876 12.3323      2.16345  15.6094      2.1657   46.1717     26.1603     13.1373     26.1603     
1 1 1 2  19 34 o 64.8941 2.58623 21.8493      2.56028  25.3288      2.57733  57.1873     9.82778     8.04955     9.82777     
1 1 1 2  19 35 o 62.1678 2.52838 18.5794      2.29192  24.951       2.51575  58.7034     291.106     15.6136     291.106     
1 1 1 2  19 36 o 17.3985 4.32351 1.91267      1.44526  1.38163      1.43988  6.12782     181.517     9.6105      1.51655     
1 1 1 2  19 37 o 14.6142 4.1567  1.02948      1.46697  0.437017     1.41306  0.540495    3.78691     0.819711    183.787     
1 1 1 2  19 38 o 23.1889 4.50818 2.72084      1.67467  4.00938      1.68534  12.3785     34.096      7.1747      214.096     
1 1 1 2  19 39 o 45.3706 3.06678 13.9074      2.06082  10.0204      2.10651  35.8112     257.156     0.445833    77.1557     
1 1 1 2  19 40 o 17.5756 4.71531 0.470617     1.80726  2.49434      1.85685  5.50214     68.8339     7.05952     248.834     
1 1 1 2  19 41 o 33.6197 4.02453 6.61673      2.10653  7.36805      1.88879  25.5058     182.459     0.387831    2.45879     
1 1 1 2  19 42 o 22.7822 4.87974 4.9235       2.02003  2.01467      1.90584  12.8211     229.097     6.61409     49.0972     
1 1 1 2  19 43 o 40.3383 3.61555 8.21536      2.15091  11.9178      2.15364  30.8419     14.9259     2.3058      194.926     
1 1 1 2  19 44 o 16.6668 4.64107 1.18905      1.71492  1.82361      1.79523  3.48142     294.5       16.1653     114.5       
1 1 1 2  19 45 o 20.0348 4.96966 0.774651     2.08547  4.35031      2.09839  12.3095     244.513     0.160349    244.514     
1 1 1 2  19 46 o 41.5629 3.54296 8.68843      2.15561  13.1229      2.18482  35.141      258.593     4.90215     258.593     
1 1 1 2  19 47 o 27.9168 4.6854  7.83672      2.15925  3.57847      1.96302  23.1787     271.968     4.10874     271.968     
1 1 1 2  19 48 o 17.9642 4.82518 2.37945      1.82663  2.15282      1.85969  10.3321     199.1       3.12713     19.0998     
1 1 1 2  19 49 o 12.2082 3.98536 0.00172501   1.74881  -0.97764     1.77584  2.31691     302.641     2.74309     122.641     
1 1 1 2  19 50 o 12.2234 4.01708 0.0450784    1.86005  -1.1183      1.80462  2.49386     303.819     3.41214     123.819     
1 1 1 2  19 51 o 18.6231 4.60584 -0.354812    1.92216  4.86044      2.01424  6.13708     310.622     2.07797     310.622     
1 1 1 2  19 52 o 22.2701 4.94209 6.13703      2.13227  1.87206      2.12715  12.9209     284.708     0.566177    104.708     
1 1 1 2  19 53 o 26.9211 5.27313 4.88371      2.71017  8.01792      2.22477  21.8554     351.757     7.12607     351.757     
1 1 1 2  19 54 o 21.3764 5.51099 3.75956      2.3879   5.3943       2.40188  12.4286     278.203     5.20793     98.2027     
1 1 1 2  20 0  o 38.1459 3.24943 8.27993      1.83533  8.27993      1.83533  2.23724     360         41.218      180         
1 1 1 2  20 1  o 105.515 2.21569 63.4553      3.45039  58.229       3.71978  96.2174     336.545     22.9481     336.545     
1 1 1 2  20 2  o 20.5417 3.91936 1.462        1.33966  3.26071      1.30124  5.17407     154.604     13.4699     154.604     
1 1 1 2  20 3  o 255.737 2.07873 348.724      7.85941  365.049      8.51156  231.447     319.273     28.0286     319.273     
1 1 1 2  20 4  o 72.6447 2.74919 28.4592      2.73607  29.3904      3.3678   39.1741     342.36      35.081      162.36      
1 1 1 2  20 5  o 183.055 2.11596 189.413      5.7205   176.41       6.17775  163.305     136.664     17.9694     136.664     
1 1 1 2  20 6  o 200.673 1.87406 218.432      5.79279  220.86       5.78934  183.854     128.101     28.4437     128.101     
1 1 1 2  20 7  o 159.861 2.03534 134.098      4.99997  144.885      5.01571  161.672     226.815     56.2036     226.815     
1 1 1 2  20 8  o 62.3572 2.30167 22.3283      2.20475  20.2731      2.19657  25.8243     268.363     45.0244     88.3632     
1 1 1 2  20 9  o 125.45  2.13138 97.9295      4.68433  74.6643      3.56918  94.4663     171.669     20.1942     351.669     
1 1 1 2  20 10 o 109.143 2.39508 62.8484      4.17343  67.4666      3.84485  87.9116     195.637     4.31038     15.637      
1 1 1 2  20 11 o 145.111 2.26468 115.248      5.05866  114.778      5.06238  137.619     193.481     32.3952     193.481     
1 1 1 2  20 12 o 133.03  2.28257 100.896      4.67987  92.6182      4.66219  103.075     226.617     16.9596     46.6169     
1 1 1 2  20 13 o 103.459 2.36141 62.0542      3.757    55.1745      3.74787  96.5045     287.049     23.0175     287.049     
1 1 1 2  20 14 o 123.984 2.30039 87.4494      4.39908  80.7792      4.37294  103.11      170.488     0.626085    350.488     
1 1 1 2  20 15 o 83.4242 2.46313 35.0338      3.1388   41.3817      3.16054  74.3188     12.6302     14.8794     12.6302     
1 1 1 2  20 16 o 55.9987 2.80764 14.8093      2.37489  19.9315      2.39527  39.315      356.32      4.62768     176.32      
1 1 1 2  20 17 o 64.9184 2.66365 22.4154      2.63738  23.9493      2.66381  52.477      270.696     5.70487     270.696     
1 1 1 2  20 18 o 31.1124 4.44619 5.32034      1.86598  5.80758      2.24668  4.38794     216.244     48.2179     216.244     
1 1 1 2  20 19 o 140.243 2.37485 102.228      5.30777  113.521      4.90405  154.693     357.833     77.0541     357.833     
1 1 1 2  20 20 o 52.395  2.85297 14.3088      2.27051  16.083       2.29248  28.6669     81.6874     23.2848     261.687     
1 1 1 2  20 21 o 33.0741 3.90962 8.28936      1.86822  4.44115      1.87608  13.5465     250.384     4.61377     70.3845     
1 1 1 2  20 22 o 131.822 2.29199 95.6445      4.64571  95.0772      4.65931  143.929     146.626     69.085      146.626     
1 1 1 2  20 23 o 101.41  2.60077 54.8071      4.05275  58.6277      4.05294  90.2652     116.497     12.7337     116.497     
1 1 1 2  20 24 o 74.524  2.92937 28.0274      3.16137  33.7436      3.53826  56.8809     162.885     8.43789     342.885     
1 1 1 2  20 25 o 45.9999 3.55343 15.9368      2.38411  8.52634      2.35218  33.9275     283.982     4.7121      103.982     
1 1 1 2  20 26 o 23.907  3.9006  6.37157      1.69076  0.00205967   1.73589  11.0044     235.063     5.98421     55.0629     
1 1 1 2  20 27 o 71.7811 2.5198  28.4021      3.10762  28.726       2.38973  72.6551     119.165     28.4148     119.165     
1 1 1 2  20 28 o 50.7851 2.57393 14.2975      1.99479  14.4333      2.00432  49.4567     283.012     19.0049     283.012     
1 1 1 2  20 29 o 33.0165 3.08604 5.85082      1.53604  6.55777      1.51879  22.6691     268.705     3.90986     88.7052     
1 1 1 2  20 30 o 13.1316 3.78366 0.632307     1.20456  0.227252     1.21542  4.94427     141.98      21.3794     141.98      
1 1 1 2  20 31 o 11.6022 3.56261 -0.509381    1.2013   0.206547     1.18943  1.4029      10.3103     5.77955     10.3103     
1 1 1 2  20 32 f 41.012  3.12171 11.0936      1.8811   8.16959      1.9419   26.0001     178.381     0           0           
1 1 1 2  20 33 o 69.5434 2.42041 29.2562      2.67746  24.8526      2.48946  67.8779     335.385     22.1064     335.385     
1 1 1 2  20 34 o 15.7036 4.34406 0.377388     1.47026  1.57943      1.62692  4.7476      133.464     6.09978     313.464     
1 1 1 2  20 35 o 36.4244 3.43873 6.05973      1.77037  9.63995      1.93521  31.9239     335.66      7.8602      335.66      
1 1 1 2  20 36 o 45.2974 2.88894 10.8485      1.9849   12.6959      1.99092  37.0935     182.926     2.48005     182.926     
1 1 1 2  20 37 o 72.0941 2.38601 31.1888      2.65225  27.395       2.6236   72.8587     286.128     29.3266     286.128     
1 1 1 2  20 38 o 41.6896 3.10954 8.99657      1.94631  11.2689      1.9627   41.4241     294.788     19.3742     294.788     
1 1 1 2  20 39 o 71.1327 2.58536 27.4042      2.81108  30.3809      2.8283   65.5403     134.942     16.341      134.942     
1 1 1 2  20 40 o 23.9421 4.25248 5.90085      1.73355  1.48007      1.76874  13.0693     130.725     8.30823     310.725     
1 1 1 2  20 41 o 22.5294 4.93906 4.47284      1.8638   2.26288      2.14689  16.786      142.998     5.49901     142.998     
1 1 1 2  20 42 o 39.9161 4.31302 12.5774      2.48594  8.16574      2.52242  36.9249     39.6393     11.5304     39.6393     
1 1 1 2  20 43 o 17.6034 4.71965 1.97944      1.69927  1.79304      1.82717  8.98635     23.2254     2.29812     203.225     
1 1 1 2  20 44 o 14.9164 4.52247 1.70021      1.94925  -0.769006    1.93919  4.46355     86.9038     3.4021      266.904     
1 1 1 2  20 45 o 30.7054 4.37516 6.97782      1.98048  5.86679      2.01176  30.1791     264.639     15.1135     264.639     
1 1 1 2  20 46 o 24.0346 4.89969 4.9532       1.93222  3.65723      1.93749  18.4382     201.508     1.9396      201.508     
1 1 1 2  20 47 o 17.4088 4.6345  0.499629     1.84531  3.28675      1.82444  10.3355     105.471     0.0255812   105.47      
1 1 1 2  20 48 o 15.4969 4.42919 2.76948      1.82893  -0.754941    1.81307  7.22228     268.622     1.88688     88.6224     
1 1 1 2  20 49 o 20.7752 4.48585 5.82368      1.95822  0.144222     1.97921  14.3375     341.502     0.790256    341.502     
1 1 1 2  20 50 f 28.2495 4.69732 3.73603      2.12194  8.70048      2.14329  15.7437     52.894      0           0           
1 1 1 2  20 51 f 16.2534 4.75448 2.4536       1.98181  1.02821      1.9636   3.86072     11.5607     0           0           
1 1 1 2  20 52 o 14.6679 4.5817  1.59468      2.06685  0.765291     2.00726  3.76685     61.5507     8.03655     241.551     
1 1 1 2  20 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  21 0  o 35.9749 3.19288 7.39398      1.69336  7.39398      1.69336  0.851256    180         0.205697    360         
1 1 1 2  21 1  o 157.535 2.3431  133.555      5.95836  137.664      5.38529  150.978     237.118     38.7058     237.118     
1 1 1 2  21 2  o 24.8498 4.28679 4.42353      1.70977  2.69515      1.577    1.74152     214.191     12.5979     214.191     
1 1 1 2  21 3  o 161.864 2.23683 139.667      5.08798  146.616      6.04215  161.543     305.641     52.5133     305.641     
1 1 1 2  21 4  o 83.115  2.45177 35.3964      3.34672  40.3409      2.85114  53.4313     29.1996     28.3547     209.2       
1 1 1 2  21 5  o 205.36  2.14531 230.562      7.51007  230.111      5.97103  198.918     36.6984     52.1648     36.6984     
1 1 1 2  21 6  o 134.139 2.06705 99.2608      4.55111  97.2667      3.97411  84.3998     261.791     55.5985     81.7913     
1 1 1 2  21 7  o 136.029 2.46389 98.1008      5.81014  104.415      4.34789  141.781     57.13       58.4662     57.13       
1 1 1 2  21 8  o 129.535 2.17299 99.4072      4.87183  84.2759      3.7966   117.356     113.676     19.8801     113.676     
1 1 1 2  21 9  o 66.6794 2.47643 25.1485      2.65462  23.6448      2.4129   43.3764     352.707     18.1105     172.707     
1 1 1 2  21 10 o 62.4489 2.52487 21.3848      2.53163  21.4437      2.29778  54.8775     90.1646     18.6618     90.1646     
1 1 1 2  21 11 o 53.1474 2.80912 15.9807      2.27879  15.1654      2.2845   38.051      86.2125     0.806472    86.2125     
1 1 1 2  21 12 o 113.756 2.31504 74.94        4.05899  66.902       4.03456  122.717     117.334     60.9644     117.334     
1 1 1 2  21 13 o 252.263 2.42702 334.998      8.44616  362.282      10.3742  254.668     249.341     85.4273     249.341     
1 1 1 2  21 14 o 153.558 2.48923 122.898      5.27622  135.724      6.48224  162.485     236.87      70.5798     236.87      
1 1 1 2  21 15 o 59.5556 2.71833 18.1738      2.4655   20.9816      2.48473  40.5986     181.608     10.1551     1.60782     
1 1 1 2  21 16 o 96.16   2.50831 55.0934      3.91523  46.6772      3.50402  76.789      124.359     3.50466     304.359     
1 1 1 2  21 17 o 75.9273 2.49936 31.5664      2.90887  31.8554      2.91957  66.4106     232.214     11.914      232.214     
1 1 1 2  21 18 o 92.0686 2.39651 48.5859      3.39603  44.6388      3.38349  93.9283     116.39      39.0985     116.39      
1 1 1 2  21 19 o 46.7379 2.98644 12.658       2.1189   11.6593      2.12974  40.8342     121.055     19.392      121.055     
1 1 1 2  21 20 o 57.7197 2.75247 19.6696      2.41538  17.28        2.43868  18.7449     74.8385     55.8955     254.838     
1 1 1 2  21 21 o 42.6674 3.20926 8.53673      2.03586  12.0359      2.06355  12.9595     170.481     41.3886     350.481     
1 1 1 2  21 22 o 34.858  3.9874  6.43236      2.06702  7.5676       2.05712  23.1545     263.713     4.80093     83.7133     
1 1 1 2  21 23 o 79.5954 2.72493 36.9067      3.33551  33.4462      3.31879  72.8704     199.877     15.4327     199.877     
1 1 1 2  21 24 o 76.8212 2.96037 35.8636      3.25639  30.0761      3.6487   59.6623     214.098     6.61513     34.0978     
1 1 1 2  21 25 o 16.7707 4.56745 -0.116309    1.73156  2.02004      1.77277  0.0939824   273.609     0.443535    93.6086     
1 1 1 2  21 26 o 37.8714 4.0378  8.41708      2.53014  8.23373      1.99994  34.3031     102.668     13.9289     102.668     
1 1 1 2  21 27 o 15.7366 4.5042  1.67935      1.81267  -0.821271    1.79097  4.49458     69.3579     26.7884     69.3579     
1 1 1 2  21 28 o 76.6487 2.4445  36.3362      2.77935  29.1961      2.92892  72.4089     215.124     20.1224     215.124     
1 1 1 2  21 29 o 69.2738 2.46472 27.3249      2.46358  26.1605      2.76044  51.4647     357.276     9.91505     177.276     
1 1 1 2  21 30 o 53.8245 2.53967 15.6535      2.14739  16.7941      2.02966  39.3425     269.558     8.19753     89.558      
1 1 1 2  21 31 o 16.2396 3.86394 2.43935      1.28659  0.0151608    1.28022  5.51313     268.371     1.84653     88.3712     
1 1 1 2  21 32 o 42.4581 3.02397 10.75        2.01657  9.88259      1.88454  44.3023     59.465      22.7708     59.465      
1 1 1 2  21 33 o 35.1548 3.2903  7.41526      1.77771  6.96793      1.69758  34.0809     29.1316     16.143      29.1316     
1 1 1 2  21 34 o 12.9744 4.01019 0.042208     1.42649  -0.192405    1.61523  0.817663    307.062     11.0675     307.062     
1 1 1 2  21 35 o 44.4117 3.15509 11.7067      2.13528  11.1593      2.12097  47.9758     77.9276     29.0783     77.9276     
1 1 1 2  21 36 o 50.5374 2.87491 12.4263      2.10258  17.0875      2.31784  54.4237     344.899     30.8459     344.899     
1 1 1 2  21 37 f 32.1263 3.73841 5.66124      1.78214  6.88074      1.77503  34.7505     295.907     0           0           
1 1 1 2  21 38 o 46.4185 2.93919 11.448       2.06911  13.7555      2.07129  41.622      203.849     10.575      203.849     
1 1 1 2  21 39 o 14.9986 4.29003 1.1215       1.54967  0.779868     1.52628  4.21841     22.5392     6.39607     202.539     
1 1 1 2  21 40 o 16.9532 4.66001 1.30299      1.78117  1.87026      1.72772  7.90392     326.491     5.38739     146.491     
1 1 1 2  21 41 o 14.2926 4.31554 -0.21119     1.71089  1.13465      1.71313  4.40402     347.399     3.96177     167.399     
1 1 1 2  21 42 o 28.1016 5.06175 6.04321      1.91936  5.20326      2.55059  19.8754     317.697     1.36378     137.697     
1 1 1 2  21 43 o 17.6247 5.07817 0.122581     2.38276  2.96885      2.22907  9.29222     259.574     0.822038    259.574     
1 1 1 2  21 44 o 24.5168 5.20779 4.88384      2.17745  4.30384      2.0728   18.6514     218.701     1.58647     218.701     
1 1 1 2  21 45 f 21.6903 4.70139 1.76846      1.88864  5.10023      1.88429  14.6534     341.477     0           0           
1 1 1 2  21 46 o 15.2919 4.35613 -1.41759     1.89292  2.76016      1.77957  5.93561     118.675     0.387665    118.675     
1 1 1 2  21 47 o 13.1165 4.18124 -0.106513    1.7786   0.415645     1.79634  2.96797     189.079     1.69633     9.07908     
1 1 1 2  21 48 o 13.1319 4.14102 1.52254      1.82537  -1.88173     1.8234   2.25135     111.391     6.17316     291.391     
1 1 1 2  21 49 o 16.3513 4.71633 0.980221     1.89758  2.50548      1.92831  2.99055     252.284     2.30527     72.2837     
1 1 1 2  21 50 o 13.7292 4.33565 -0.0609108   1.91192  1.09352      1.8697   1.19953     113.517     2.54281     293.517     
1 1 1 2  21 51 o 18.2192 5.02577 3.27657      2.04662  2.69784      2.03577  9.66653     269.81      2.66318     269.81      
1 1 1 2  21 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  22 0  o 59.4052 2.61258 19.4956      2.3685   19.4956      2.3685   31.6372     180         36.5769     8.65068e-06 
1 1 1 2  22 1  o 68.9483 2.57267 25.7622      2.80425  26.4682      2.63369  47.4431     69.6835     12.671      249.684     
1 1 1 2  22 2  o 102.545 2.23272 60.6648      3.65305  54.5647      3.39138  99.8536     299.062     34.7876     299.062     
1 1 1 2  22 3  o 129.843 2.67858 89.1473      5.63895  95.9076      5.01283  112.912     129.942     12.1831     129.942     
1 1 1 2  22 4  o 114.32  2.31951 79.5668      4.44397  64.0285      3.72448  96.9623     282.938     7.06929     282.937     
1 1 1 2  22 5  o 156.377 1.9919  130.927      4.95609  136.43       4.62273  140.614     207.976     22.2764     207.976     
1 1 1 2  22 6  o 35.4897 3.29306 7.1782       1.81999  6.91901      1.69196  9.76254     331.932     19.7389     151.932     
1 1 1 2  22 7  f 30.7004 3.48426 5.82335      1.56966  4.84325      1.60093  26.0429     15.5843     0           0           
1 1 1 2  22 8  o 44.5058 2.54702 10.8358      1.72738  11.0257      1.73391  11.0186     334.975     43.6574     154.975     
1 1 1 2  22 9  o 15.3968 4.21236 0.545992     1.41828  1.1426       1.44114  17.6389     156.951     44.5846     156.951     
1 1 1 2  22 10 o 32.3314 3.82232 5.86846      1.60187  6.00332      2.0487   9.75539     67.3868     65.1978     67.3868     
1 1 1 2  22 11 o 83.4481 2.54984 41.629       3.43432  35.0896      3.10524  71.0106     307.503     8.5717      307.503     
1 1 1 2  22 12 o 25.4497 4.6236  4.23225      1.82647  3.28932      1.83216  3.3773      184.807     34.1023     184.807     
1 1 1 2  22 13 o 102.477 2.33634 57.4719      3.6846   57.8674      3.67935  71.8579     21.6256     24.3313     201.626     
1 1 1 2  22 14 o 112.92  2.30611 68.4985      4.00114  71.5782      4.00905  107.948     113.326     31.0543     113.326     
1 1 1 2  22 15 o 41.1867 3.1324  9.38361      1.95766  9.5839       1.953    30.8379     272.614     7.31888     272.614     
1 1 1 2  22 16 o 42.1562 3.13382 10.0639      2.01399  9.82166      1.99387  22.6142     47.7025     18.3812     227.702     
1 1 1 2  22 17 o 98.6785 2.36872 55.5014      3.59845  51.7951      3.58689  67.263      57.6326     27.7998     237.633     
1 1 1 2  22 18 o 71.5753 2.53333 28.8586      2.77505  27.7886      2.79045  77.4457     134.217     41.0549     134.217     
1 1 1 2  22 19 o 193.514 2.20682 208.142      6.5758   203.968      6.57587  172.639     359.027     23.9818     359.027     
1 1 1 2  22 20 o 71.3116 2.54666 29.9693      2.78131  26.438       2.78462  70.2172     132.844     25.5011     132.844     
1 1 1 2  22 21 o 69.9644 2.79522 26.9036      2.98842  27.5964      3.00993  74.4921     271.41      37.0947     271.41      
1 1 1 2  22 22 o 79.0967 2.61124 34.0348      3.0305   35.4752      3.31124  50.2271     253.036     28.8594     73.0364     
1 1 1 2  22 23 o 79.5401 2.88664 37.166       3.30524  33.5745      3.70027  69.5419     49.8376     9.79651     49.8376     
1 1 1 2  22 24 o 30.256  4.4625  6.74093      2.01758  4.26536      2.01483  22.8719     105.976     9.33079     105.976     
1 1 1 2  22 25 o 23.7788 4.96713 3.17223      2.17444  3.57578      1.75003  3.09778     292.912     27.7356     112.912     
1 1 1 2  22 26 o 24.9542 4.94483 3.27144      1.97554  4.30183      1.99871  14.6635     9.63732     1.62432     9.63732     
1 1 1 2  22 27 o 39.0713 3.70008 7.86237      2.096    9.88945      2.23332  34.7612     164.459     10.1919     164.459     
1 1 1 2  22 28 o 73.573  2.70299 30.7488      3.16328  30.0181      2.93822  61.2386     43.7159     3.07792     43.716      
1 1 1 2  22 29 f 40.0816 3.56567 10.3074      2.11941  8.40527      2.15571  20.2856     180.633     0           0           
1 1 1 2  22 30 o 54.5274 2.98672 16.5459      2.46404  17.3623      2.51234  50.57       247.856     14.2665     247.856     
1 1 1 2  22 31 o 23.755  4.00602 5.8295       1.49385  0.576327     1.95037  10.2837     285.426     13.5555     105.426     
1 1 1 2  22 32 o 54.8736 2.58568 15.5625      2.15322  18.6193      2.17905  49.5748     5.79947     12.3498     5.79947     
1 1 1 2  22 33 o 39.1231 3.18097 9.41419      1.82346  8.40106      1.92312  30.2417     254.328     0.415716    254.328     
1 1 1 2  22 34 o 45.213  2.84557 11.9679      1.99417  11.5281      1.92697  45.1413     110.789     21.364      110.789     
1 1 1 2  22 35 o 36.6042 3.43727 8.66143      1.99752  7.31792      1.78361  37.119      23.6069     21.9946     23.6069     
1 1 1 2  22 36 o 23.9775 4.66874 3.09529      1.82998  4.44964      1.77735  7.45612     308.238     20.1466     128.238     
1 1 1 2  22 37 o 19.6742 4.62851 1.7233       1.59355  3.26484      1.75185  9.13149     251.684     7.72804     71.6838     
1 1 1 2  22 38 o 15.5074 4.31053 1.72318      1.53963  0.580099     1.53626  5.6699      272.491     6.89093     92.4906     
1 1 1 2  22 39 o 21.5675 4.87521 3.23469      1.80501  3.18396      1.85306  9.44818     173.865     6.03468     173.865     
1 1 1 2  22 40 o 13.653  4.18925 0.344698     1.64478  0.36108      1.61982  2.1893      54.8753     9.25998     234.875     
1 1 1 2  22 41 o 11.9536 3.92261 0.180507     1.87843  -1.929       1.58982  1.0329      270.921     3.36996     90.9206     
1 1 1 2  22 42 o 18.2436 5.06153 2.98129      2.12303  1.38062      2.11254  9.37652     180.983     5.81727     0.982823    
1 1 1 2  22 43 o 26.517  4.79744 3.3848       1.92339  7.15138      2.16829  18.943      261.277     1.34403     81.2772     
1 1 1 2  22 44 o 16.7194 4.6942  2.69467      1.79903  0.453637     2.07013  4.72725     269.157     13.1775     89.1571     
1 1 1 2  22 45 o 15.4877 4.70791 0.18995      2.05222  1.98228      2.08125  4.45028     272.04      0.695339    272.04      
1 1 1 2  22 46 o 18.4147 5.21496 2.83691      2.66615  2.4986       1.88437  7.83939     270.015     8.92259     90.0145     
1 1 1 2  22 47 o 11.5507 3.85042 -1.35685     1.80311  -0.454409    1.76975  0.0806403   20.5187     2.7804      20.5187     
1 1 1 2  22 48 o 15.8613 4.63864 2.55956      1.92147  0.404183     1.92498  3.20006     261.82      7.42285     81.8202     
1 1 1 2  22 49 o 15.5998 4.6892  1.31758      1.96765  2.01855      1.98201  4.2154      231.07      1.5814      51.0701     
1 1 1 2  22 50 o 20.0324 5.19348 3.22729      2.1184   4.29904      2.11555  11.4508     7.08605     4.09326     187.086     
1 1 1 2  23 0  o 85.8694 2.33164 40.4667      3.07277  40.4667      3.07277  79.6362     180         16.1279     180         
1 1 1 2  23 1  o 19.6833 4.18105 3.19647      1.41385  0.85945      1.5598   8.62867     350.573     32.3376     350.573     
1 1 1 2  23 2  o 52.7569 2.65616 14.9068      2.05573  15.8462      2.23196  46.4542     156.956     26.2583     156.956     
1 1 1 2  23 3  o 41.5789 3.13535 9.79431      1.98229  9.49136      1.9705   11.9385     277.714     37.6126     97.7143     
1 1 1 2  23 4  o 100.5   2.42174 55.9753      3.62318  55.0307      3.85558  73.8429     287.248     15.8075     107.248     
1 1 1 2  23 5  o 149.225 2.59725 114.023      4.69864  131.203      7.12334  136.697     1.29204     27.9837     1.29204     
1 1 1 2  23 6  o 91.0507 2.18281 47.1305      2.80939  43.8991      3.26523  61.4812     291.094     24.7921     111.094     
1 1 1 2  23 7  o 38.4707 2.75911 7.49487      1.60147  9.00158      1.61072  24.6258     99.9585     6.26655     99.9585     
1 1 1 2  23 8  o 66.9717 2.13781 25.0618      2.19896  24.2289      2.19859  62.7108     355.338     21.5954     355.338     
1 1 1 2  23 9  o 195.873 2.20516 210.852      6.65324  210.225      6.64931  176.061     222.69      28.3131     222.69      
1 1 1 2  23 10 o 103.154 2.35671 57.4443      3.72273  59.6523      3.75405  88.0104     286.767     7.93068     286.767     
1 1 1 2  23 11 o 43.5653 3.35394 8.80732      2.25728  12.6793      2.04479  34.3269     89.642      5.82844     89.642      
1 1 1 2  23 12 o 83.0359 2.91159 37.5575      4.22203  38.9104      3.08082  72.1082     240.402     10.0738     240.402     
1 1 1 2  23 13 o 45.1615 3.11591 12.5271      2.22655  10.366       2.05008  17.6372     262.354     35.7315     82.3537     
1 1 1 2  23 14 o 83.1769 2.43593 39.7052      3.11323  36.7302      3.10971  70.1875     70.0203     5.22873     70.0203     
1 1 1 2  23 15 o 20.548  4.27869 1.1947       1.54071  3.52705      1.53673  5.06521     89.2943     6.73469     269.294     
1 1 1 2  23 16 o 25.9823 4.21767 3.81939      1.64593  4.12696      1.65832  6.64381     311.01      23.4102     131.01      
1 1 1 2  23 17 o 102.072 2.34083 58.644       3.67123  56.4719      3.67651  87.3122     74.0721     7.94766     74.0722     
1 1 1 2  23 18 o 13.8295 4.05313 0.250287     1.40381  0.46841      1.42476  1.19437     282.834     6.65771     282.834     
1 1 1 2  23 19 o 45.0048 3.07838 10.6266      2.09836  12.2294      2.10604  26.0433     147.788     18.5632     327.788     
1 1 1 2  23 20 f 114.899 2.52343 74.9318      4.46583  71.682       4.45143  87.8038     16.3678     0           0           
1 1 1 2  23 21 o 43.6847 3.18862 8.9376       2.06399  12.8822      2.10502  39.7826     144.61      13.4985     144.61      
1 1 1 2  23 22 o 25.3792 4.85904 3.52775      1.83427  4.30198      2.0601   12.5859     28.2681     8.34119     208.268     
1 1 1 2  23 23 o 53.7889 3.17177 14.2482      2.56874  18.6795      2.59938  34.6987     75.3168     16.2159     255.317     
1 1 1 2  23 24 o 53.1329 3.33856 14.355       2.88125  17.9032      2.401    46.5548     346.29      9.25148     346.29      
1 1 1 2  23 25 o 30.0434 4.55352 7.67216      2.06805  3.48622      2.08576  19.5366     318.196     5.5903      138.196     
1 1 1 2  23 26 o 53.9916 3.17203 14.6386      2.56853  18.738       2.6307   55.7083     141.694     26.0316     141.694     
1 1 1 2  23 27 o 20.5048 4.74807 2.97937      1.74131  1.98672      1.755    8.9198      23.9444     9.79032     203.944     
1 1 1 2  23 28 o 18.4201 4.69151 1.59367      1.67818  2.1169       1.73072  7.40098     6.08107     3.48216     186.081     
1 1 1 2  23 29 o 26.7626 4.53588 5.82067      1.88166  3.18905      1.88942  12.9645     0.82591     12.9407     180.826     
1 1 1 2  23 30 o 37.4958 3.79371 7.79692      2.09566  8.99778      2.1546   17.5127     326.536     23.0628     146.536     
1 1 1 2  23 31 o 60.382  2.91506 23.6668      2.69326  18.2785      2.66018  49.3683     14.4558     3.25252     14.4558     
1 1 1 2  23 32 o 15.0818 4.45193 -0.237797    1.74312  1.27369      1.78154  1.14795     352.884     11.3152     172.884     
1 1 1 2  23 33 o 45.2229 3.30335 10.3659      2.10556  13.8938      2.42633  32.2242     161.489     5.91338     341.49      
1 1 1 2  23 34 o 29.1982 4.10417 4.85727      1.77922  5.89607      1.77966  21.8224     152.841     1.56633     152.841     
1 1 1 2  23 35 o 18.23   4.78857 1.51298      1.64565  2.5086       1.94698  7.04        61.0914     9.02445     241.091     
1 1 1 2  23 36 o 26.8699 4.34868 4.67287      1.82931  4.81932      1.69243  20.1522     172.226     1.11648     172.226     
1 1 1 2  23 37 o 15.3895 4.44617 1.24689      1.66743  0.847184     1.67834  4.30062     157.968     0.0592488   337.968     
1 1 1 2  23 38 o 14.7688 4.47186 0.969849     1.82926  0.311512     1.80979  2.77795     227.755     1.28053     47.7554     
1 1 1 2  23 39 o 16.2322 4.61198 0.480754     1.68101  2.2809       1.91645  6.58777     260.31      2.95662     80.3095     
1 1 1 2  23 40 o 63.2024 3.01143 23.7732      3.02997  24.6347      2.78231  62.249      359.007     25.5089     359.007     
1 1 1 2  23 41 o 40.1689 4.08557 9.06842      2.47368  12.4493      2.31483  36.4228     324.377     11.3367     324.377     
1 1 1 2  23 42 o 11.5485 3.81113 -0.879285    1.62529  -0.612009    1.70925  0.951947    246.961     9.77665     66.9605     
1 1 1 2  23 43 o 16.5802 4.64022 0.898465     1.81094  2.56039      1.81161  7.60112     1.4747      1.50294     1.4747      
1 1 1 2  23 44 o 21.0722 5.01947 4.33012      1.97226  2.80424      1.96515  9.62005     6.88342     10.3876     186.883     
1 1 1 2  23 45 o 38.9528 3.95351 9.47561      2.25163  11.3052      2.34508  33.8135     58.9966     9.75716     58.9966     
1 1 1 2  23 46 o 19.8807 5.21624 3.18378      2.00069  3.46008      2.25351  8.19188     342.664     1.82991     162.664     
1 1 1 2  23 47 o 15.7038 4.60526 -0.781167    2.18614  2.98002      1.93531  4.06817     27.5435     6.02743     207.544     
1 1 1 2  23 48 o 14.6078 4.47328 2.51242      1.97141  -0.535815    1.97127  4.32429     356.502     1.51298     176.502     
1 1 1 2  23 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  24 0  o 25.3088 4.83893 4.22737      1.62971  4.22737      1.62971  7.83867     6.50742e-05 0.617598    180         
1 1 1 2  24 1  o 75.7794 2.55558 29.5073      3.06681  34.0401      2.84711  70.0976     310.836     19.4199     310.836     
1 1 1 2  24 2  o 59.6993 2.52985 19.9939      2.38649  19.4427      2.24291  50.3224     26.8019     7.10024     26.8019     
1 1 1 2  24 3  o 64.5262 2.22625 21.5509      2.20447  24.3836      2.19929  47.7234     45.7164     7.23005     225.717     
1 1 1 2  24 4  o 67.9193 2.58053 25.263       2.69129  25.7875      2.68647  41.971      193.161     25.0764     13.1612     
1 1 1 2  24 5  o 85.1951 2.3579  42.4486      2.94567  37.6783      3.19907  64.8208     140.882     8.20272     320.882     
1 1 1 2  24 6  o 49.3045 2.92416 15.7363      2.13034  11.5473      2.20804  38.698      39.4361     1.02838     39.4358     
1 1 1 2  24 7  o 23.3427 4.11961 3.49936      1.36861  2.86001      1.60129  9.8145      334.517     53.792      334.517     
1 1 1 2  24 8  o 87.7284 2.07995 43.194       2.70298  41.5212      2.90021  63.9388     228.881     14.4121     48.881      
1 1 1 2  24 9  o 103.201 2.15272 58.1096      3.4149   59.206       3.41958  80.6606     248.653     6.59376     68.6531     
1 1 1 2  24 10 o 102.185 2.42123 52.7104      3.57018  62.929       4.04366  90.9548     331.49      16.0616     331.49      
1 1 1 2  24 11 o 21.8103 4.9391  2.2609       1.88578  3.15561      1.89369  6.14764     219.775     11.779      39.775      
1 1 1 2  24 12 o 54.0038 2.93346 17.3344      2.31119  15.3198      2.50409  56.1488     20.0365     29.9993     20.0365     
1 1 1 2  24 13 o 55.0827 2.75772 18.0249      2.3175   15.8662      2.32214  43.8191     74.3601     0.999065    74.3601     
1 1 1 2  24 14 o 59.1118 2.72193 21.9961      2.45019  17.1286      2.44643  58.8999     10.423      25.6407     10.423      
1 1 1 2  24 15 o 45.3937 3.03618 12.5409      2.10299  10.7153      2.08111  32.8622     67.2144     4.43656     247.214     
1 1 1 2  24 16 o 24.3131 4.12556 5.536        1.64612  1.52148      1.65293  8.05576     349.62      16.6762     169.62      
1 1 1 2  24 17 o 77.65   2.60935 34.9266      3.26219  32.3145      2.96081  72.4126     25.4054     20.6325     25.4054     
1 1 1 2  24 18 o 50.5279 3.47168 11.4224      2.76144  18.027       2.27588  35.9421     160.186     7.30485     340.186     
1 1 1 2  24 19 o 37.3484 3.9602  7.62228      2.28417  8.67184      2.10338  18.5872     324.203     20.0262     144.203     
1 1 1 2  24 20 o 72.9086 2.67941 28.322       3.09075  31.1986      2.88411  61.2599     310.282     5.89103     310.282     
1 1 1 2  24 21 o 56.9991 3.48078 22.5131      3.04171  15.041       2.92267  41.402      104.192     7.71639     284.192     
1 1 1 2  24 22 o 17.1475 4.56698 2.42609      1.79235  -0.134245    1.72841  5.5369      270.539     6.8741      90.539      
1 1 1 2  24 23 o 79.9896 2.6223  35.2601      3.35446  36.5735      3.07445  79.6104     265.862     30.9888     265.862     
1 1 1 2  24 24 o 65.4605 2.96    24.6713      2.95626  24.0412      2.97911  49.5744     276.644     5.37248     96.6441     
1 1 1 2  24 25 o 41.8428 3.37517 9.53312      2.11705  10.8256      2.1481   36.0852     342.328     8.00395     342.328     
1 1 1 2  24 26 o 32.9649 4.25738 6.11847      2.16016  7.13894      1.98527  20.4746     49.4085     8.36383     229.408     
1 1 1 2  24 27 o 28.5645 4.43334 5.01153      1.87913  5.13625      1.91383  18.1811     197.56      4.36238     17.5602     
1 1 1 2  24 28 f 14.333  4.31637 -0.126255    1.65442  0.711176     1.71258  11.6255     122.738     0           0           
1 1 1 2  24 29 o 24.8523 4.7737  4.25633      1.8711   3.64706      1.88535  15.5738     189.78      0.335182    9.78023     
1 1 1 2  24 30 o 29.0532 4.81731 5.21051      2.00334  5.71032      2.23254  12.1603     80.375      18.5935     260.375     
1 1 1 2  24 31 o 22.8567 4.9229  4.15772      1.92503  2.71019      1.91384  12.9727     266.355     3.53129     86.3548     
1 1 1 2  24 32 o 14.0589 4.3244  0.0958653    1.75262  0.34998      1.74611  1.95349     64.8091     5.45266     244.809     
1 1 1 2  24 33 o 14.4644 4.35135 1.33842      1.74511  -0.713314    1.79675  3.55876     331.161     6.0989      151.161     
1 1 1 2  24 34 o 45.3011 3.65493 13.1225      2.43857  12.2076      2.55609  35.6671     138.582     0.997783    138.582     
1 1 1 2  24 35 o 26.4118 5.38723 4.62168      2.15976  5.54289      2.46532  12.1979     71.9447     14.5553     251.945     
1 1 1 2  24 36 o 20.9294 4.10776 1.68695      1.26277  4.26186      1.59404  6.67995     44.6292     16.226      224.629     
1 1 1 2  24 37 o 32.7497 5.23167 9.02871      2.67587  6.6113       2.49703  25.0359     301.346     1.71393     301.345     
1 1 1 2  24 38 o 13.7709 4.25604 0.211493     1.83771  0.581933     1.59896  4.67335     170.634     2.27701     350.634     
1 1 1 2  24 39 o 13.7938 4.21285 1.81928      1.81169  -1.84146     1.77915  5.37077     358.953     3.60209     178.953     
1 1 1 2  24 40 o 15.279  4.62937 1.01722      1.87227  1.09785      2.01734  6.67175     89.1537     1.8035      269.154     
1 1 1 2  24 41 o 12.3728 3.97386 -0.447017    1.58742  0.186907     1.70922  2.4085      35.8083     5.38215     215.808     
1 1 1 2  24 42 f 13.5387 4.21553 0.871755     1.70411  0.0968202    1.73174  2.44238     96.901      0           0           
1 1 1 2  24 43 o 16.6594 4.44892 -0.501715    1.79052  3.5859       1.82744  5.37545     251.882     9.32402     71.8815     
1 1 1 2  24 44 o 14.9904 4.53796 1.08399      1.84182  1.23885      1.88986  1.93113     302.386     4.2966      122.386     
1 1 1 2  24 45 o 12.9629 4.16643 0.200714     1.81177  0.0868728    1.82031  0.444786    215.18      4.6582      35.1802     
1 1 1 2  24 46 o 14.9821 4.65102 2.00907      1.9739   0.372699     2.30491  4.4013      224.193     4.3706      44.1927     
1 1 1 2  24 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  25 0  o 69.2223 2.367   26.4599      2.50959  26.4599      2.50959  46.5451     180         19.8238     8.6515e-06  
1 1 1 2  25 1  o 64.1033 2.76241 24.3008      2.63569  21.5366      2.77272  50.5623     151.034     0.285761    331.034     
1 1 1 2  25 2  f 97.3679 2.24858 53.7658      3.5055   50.9681      3.22808  84.4762     224.393     0           0           
1 1 1 2  25 3  o 34.0553 3.46288 5.54425      1.81309  7.81001      1.62441  21.8384     265.866     5.62951     85.8655     
1 1 1 2  25 4  o 27.6648 3.93701 6.07011      1.62779  3.05705      1.61327  6.10409     229.659     27.7938     49.6587     
1 1 1 2  25 5  o 43.247  2.96885 10.1477      1.9566   10.8944      1.94509  32.5789     54.7438     0.416077    234.744     
1 1 1 2  25 6  o 67.8676 2.70926 23.09        3.00462  28.3599      2.53612  60.4863     120.26      13.7332     120.26      
1 1 1 2  25 7  o 21.2509 4.27532 1.37298      1.57169  3.81253      1.54858  6.00776     213.034     11.5862     33.0345     
1 1 1 2  25 8  o 103.596 1.95754 62.7796      3.12974  55.5708      3.10289  87.1869     353.633     7.583       353.633     
1 1 1 2  25 9  o 59.1973 2.25179 21.6946      2.0447   17.2702      2.02625  35.6239     55.6689     22.5203     235.669     
1 1 1 2  25 10 o 30.6643 4.03962 7.06198      1.82632  4.13955      1.81661  7.26648     217.955     31.195      37.9548     
1 1 1 2  25 11 o 74.5333 2.66615 31.595       3.18068  30.4077      2.91766  69.777      335.797     21.4129     335.797     
1 1 1 2  25 12 o 20.4823 4.81257 1.85202      1.58505  2.96659      1.9737   4.62117     61.6067     14.5556     241.607     
1 1 1 2  25 13 o 41.4926 3.80898 11.176       2.06496  8.78635      2.54248  32.2074     296.011     1.97016     296.011     
1 1 1 2  25 14 o 109.287 2.64455 70.958       3.95026  62.4166      4.81641  89.0207     307.128     2.36095     307.128     
1 1 1 2  25 15 o 19.7985 4.55788 1.77331      1.60366  2.7046       1.61817  1.21433     127.717     23.4842     307.717     
1 1 1 2  25 16 o 72.0654 2.66468 28.3191      2.81246  29.8316      3.08021  56.941      175.146     0.795088    355.146     
1 1 1 2  25 17 o 35.7089 4.18899 5.95103      2.08962  9.34177      2.32893  15.4049     127.15      24.105      307.15      
1 1 1 2  25 18 o 24.5048 4.75395 3.44427      1.82527  3.9234       1.87373  7.00191     38.7657     21.9202     218.766     
1 1 1 2  25 19 o 38.4413 3.64277 9.17672      1.99013  8.0647       2.18146  31.22       320.7       3.48605     320.7       
1 1 1 2  25 20 o 17.8722 4.50717 -0.228316    1.63811  3.11189      1.83858  6.5198      191.27      8.07677     11.2704     
1 1 1 2  25 21 o 19.5171 4.75211 3.13102      1.83809  1.1016       1.76524  8.28039     294.37      0.585927    294.37      
1 1 1 2  25 22 o 48.4984 3.36776 11.6843      2.45649  15.7321      2.4534   25.4885     317.47      24.9695     137.47      
1 1 1 2  25 23 o 18.1244 4.75723 1.2663       1.76578  2.17861      1.80191  0.447405    240.902     24.6483     240.903     
1 1 1 2  25 24 o 41.3123 3.55763 11.2573      2.31845  8.92125      2.10931  21.0914     40.9376     21.4625     220.938     
1 1 1 2  25 25 o 15.6795 4.45183 0.0712639    1.75823  1.54719      1.63198  0.0631427   23.4989     17.14       23.4989     
1 1 1 2  25 26 o 38.2102 3.76231 9.27655      2.19329  8.21043      2.11159  26.2614     17.9828     4.88573     197.983     
1 1 1 2  25 27 o 32.5708 4.58765 7.26941      2.44226  6.18925      1.9992   20.3636     299.602     7.10667     119.602     
1 1 1 2  25 28 o 60.8988 3.26723 18.2144      3.18331  25.6147      2.67473  55.785      88.9381     17.0226     88.9381     
1 1 1 2  25 29 o 16.8997 4.6529  1.58835      1.7255   1.36717      1.76192  4.88441     63.5495     2.28158     243.55      
1 1 1 2  25 30 o 19.759  4.77886 1.32184      1.82171  3.56413      1.85414  10.6224     235.116     2.07347     235.116     
1 1 1 2  25 31 o 14.9436 4.43916 1.22103      1.75753  0.198691     1.7389   1.4579      338.369     15.942      158.369     
1 1 1 2  25 32 o 12.7896 4.07278 -0.720942    1.67088  0.13212      1.72114  0.336877    209.622     15.7504     209.623     
1 1 1 2  25 33 o 15.3819 4.4916  1.98785      1.8223   -0.533268    1.84822  4.57386     60.2265     1.55702     240.226     
1 1 1 2  25 34 o 30.0636 4.80271 6.47405      2.16293  6.06692      2.17967  18.9565     211.016     5.95677     31.0162     
1 1 1 2  25 35 o 43.1179 4.23906 10.3885      2.71053  14.2162      2.67269  36.0316     108.203     6.6292      108.203     
1 1 1 2  25 36 o 27.0061 5.53486 6.24631      2.37669  5.21094      2.53831  21.8268     143.983     5.38515     143.983     
1 1 1 2  25 37 o 11.9322 4.01643 -2.75421     1.97929  -0.405611    2.10094  1.80072     41.643      8.95018     221.643     
1 1 1 2  25 38 o 14.4129 4.56086 -1.11796     2.18069  1.40715      2.12802  5.10177     277.31      4.33742     97.3097     
1 1 1 2  25 39 o 26.8646 5.56748 3.51847      4.09596  8.1655       2.31586  18.5026     187.466     1.12607     7.46575     
1 1 1 2  25 40 o 16.6175 4.87282 4.70769      2.6357   -2.50914     2.01241  8.02567     105.564     0.881165    285.564     
1 1 1 2  25 41 o 25.0756 5.1107  4.37934      2.10836  5.80092      2.10308  19.7709     197.456     8.75448     197.456     
1 1 1 2  25 42 o 23.965  5.56463 5.00959      2.19866  5.09285      2.5786   14.5718     357.892     5.06566     357.892     
1 1 1 2  25 43 o 12.0489 3.95169 0.557958     1.67225  -2.59812     2.11173  0.579021    145.716     6.85636     145.716     
1 1 1 2  25 44 o 27.0369 4.97426 8.16545      2.08477  4.38414      2.52285  20.7826     270.753     5.47357     270.753     
1 1 1 2  25 45 o 13.3254 4.32548 0.32536      1.83705  0.469671     2.20148  3.07582     325.027     1.05199     145.027     
1 1 1 2  25 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  26 0  o 177.232 2.09004 172.385      5.70052  172.385      5.70052  169.333     3.481e-06   52.8877     3.481e-06   
1 1 1 2  26 1  o 37.8702 3.34726 9.75487      1.88685  6.78394      1.87198  25.794      347.957     4.69136     167.957     
1 1 1 2  26 2  o 41.087  3.17874 10.2025      1.94283  9.01034      2.00089  24.1737     324.989     14.1744     144.989     
1 1 1 2  26 3  o 49.9855 2.90214 14.3091      2.22553  13.8305      2.20264  35.8192     58.2269     5.56146     238.227     
1 1 1 2  26 4  o 40.2246 3.12176 9.88188      1.86733  8.52763      1.92046  31.8944     276.7       4.10484     276.7       
1 1 1 2  26 5  o 44.2914 2.76215 11.9616      1.8707   10.1415      1.84901  35.8221     126.138     4.75086     126.138     
1 1 1 2  26 6  o 19.4827 4.1967  0.173193     1.58613  3.73409      1.58611  5.4642      0.697074    8.53549     180.697     
1 1 1 2  26 7  o 26.49   4.2509  5.1579       1.70524  3.29387      1.71034  11.4833     164.894     14.0077     344.894     
1 1 1 2  26 8  o 40.3285 3.02622 9.47602      1.75357  8.98882      1.9343   34.7774     118.347     9.74062     118.347     
1 1 1 2  26 9  o 107.853 2.43913 68.0389      3.65817  61.507       4.35462  90.1529     128.851     8.21091     128.851     
1 1 1 2  26 10 o 30.1807 4.1906  4.38183      1.86829  6.56315      1.88003  7.16008     202.233     31.0884     22.2325     
1 1 1 2  26 11 o 15.9311 4.46498 1.39914      1.71292  0.454281     1.5723   1.85737     191.252     2.19151     11.2523     
1 1 1 2  26 12 o 31.8993 4.44065 6.06442      2.29394  6.19481      1.90243  16.3072     122.398     15.2823     302.398     
1 1 1 2  26 13 o 14.6963 4.22919 -1.10544     1.777    1.45575      1.516    0.430616    284.76      18.3768     284.76      
1 1 1 2  26 14 o 55.1822 2.85421 15.2851      2.38547  19.291       2.40571  49.3946     131.079     12.5514     131.079     
1 1 1 2  26 15 o 57.8583 2.81815 19.6701      2.48821  18.2499      2.49925  53.8073     162.188     17.3123     162.188     
1 1 1 2  26 16 o 29.3551 4.5853  6.3014       2.03486  4.38484      2.01694  15.0137     206.354     13.3091     26.3538     
1 1 1 2  26 17 o 12.6342 3.97376 -0.235546    1.53264  -0.461775    1.57818  0.0645364   176.037     4.857       176.037     
1 1 1 2  26 18 o 29.0421 4.26697 6.57931      1.83994  3.86582      1.86238  10.7126     11.3049     21.4734     191.305     
1 1 1 2  26 19 o 31.6623 4.43483 5.35391      1.97785  7.0796       2.19848  15.1452     93.4343     16.5347     273.434     
1 1 1 2  26 20 o 54.1058 3.84917 19.209       2.87121  15.5789      3.32634  49.0248     298.837     15.1357     298.837     
1 1 1 2  26 21 o 24.0502 4.95996 4.64961      1.93528  2.65698      2.09952  2.1634      82.5573     39.3083     82.5573     
1 1 1 2  26 22 o 30.0878 4.76819 6.01404      2.05511  5.46831      2.25625  20.4059     272.608     1.23485     92.6081     
1 1 1 2  26 23 o 64.6215 2.8145  26.1213      2.65731  21.8088      2.86929  50.1478     227.097     0.190801    47.0967     
1 1 1 2  26 24 o 41.9707 3.60776 12.4632      2.13382  8.7194       2.30473  30.9708     313.83      1.3608      133.83      
1 1 1 2  26 25 o 16.7655 4.63339 1.81007      1.60718  0.767489     1.9528   1.59782     228.892     16.8894     48.8919     
1 1 1 2  26 26 o 17.9117 4.79024 1.84949      1.79555  1.81218      1.82488  6.67176     355.13      5.18698     175.13      
1 1 1 2  26 27 o 13.5194 4.1838  0.18196      1.5825   0.0685186    1.73442  1.05799     243.695     10.7871     63.6949     
1 1 1 2  26 28 o 20.5627 4.76849 3.49009      1.76828  2.1165       1.79406  11.6986     322.696     3.31747     142.696     
1 1 1 2  26 29 o 35.5958 3.92695 7.60261      2.05606  8.42361      2.10627  28.914      132.591     4.58808     132.591     
1 1 1 2  26 30 o 47.7463 3.30737 12.517       2.37555  15.2023      2.40468  35.3694     141.611     2.3965      321.611     
1 1 1 2  26 31 o 13.2399 4.23279 -0.240426    1.97259  -0.205032    1.71182  1.64173     45.5533     4.32648     225.553     
1 1 1 2  26 32 o 26.8698 5.15436 4.06888      2.22292  6.56952      2.25611  15.5143     195.731     7.35053     15.7313     
1 1 1 2  26 33 o 17.6118 4.8634  0.797108     2.03126  2.87753      1.95801  9.59261     280.961     0.825854    280.961     
1 1 1 2  26 34 o 27.8152 4.96731 3.0884       2.32803  8.66179      2.35105  20.1607     246.325     0.115694    66.3248     
1 1 1 2  26 35 o 17.7243 4.89149 -0.393405    2.26697  3.69084      2.10729  9.36474     198.171     3.47728     198.171     
1 1 1 2  26 36 o 18.3268 5.12406 2.00423      2.14298  2.8822       2.16265  8.90038     14.5962     5.31567     194.596     
1 1 1 2  26 37 o 16.9133 5.03797 0.958818     2.38245  2.44889      2.19413  5.32843     259.06      10.9309     79.0601     
1 1 1 2  26 38 o 13.9812 4.57085 0.532227     2.34485  -0.707393    2.30422  3.90902     223.995     6.01519     43.9954     
1 1 1 2  26 39 o 16.1783 4.90188 2.59109      2.18421  0.0231119    2.41145  5.01274     298.619     1.9659      118.619     
1 1 1 2  26 40 o 21.1255 5.46749 3.75806      2.3566   4.0601       2.29346  9.71322     154.482     4.26844     334.482     
1 1 1 2  26 41 o 20.0383 5.58132 3.83632      2.812    3.54171      2.28541  7.68515     9.13908     7.83949     189.139     
1 1 1 2  26 42 o 13.8969 4.62976 -3.64211     2.67702  2.13742      2.70318  2.24043     124.16      3.85051     304.16      
1 1 1 2  26 43 o 18.2699 5.4787  0.195469     2.93726  5.66583      2.92578  7.13649     53.9615     9.3593      233.961     
1 1 1 2  26 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  27 0  o 37.9846 4.00965 8.59035      2.19152  8.59035      2.19152  30.1922     1.92202e-05 0.132229    180         
1 1 1 2  27 1  o 87.3422 2.24566 41.6102      3.11473  43.2966      2.90657  72.7309     197.488     7.53687     197.488     
1 1 1 2  27 2  f 27.8974 4.25427 5.14974      1.77773  4.2653       1.77253  13.6128     303.59      0           0           
1 1 1 2  27 3  o 52.6638 2.83774 17.1095      2.13808  14.3196      2.38048  31.8939     278.369     18.5031     98.3688     
1 1 1 2  27 4  f 27.0358 4.16044 5.50195      1.70426  3.39358      1.68245  15.7159     45.5121     0           0           
1 1 1 2  27 5  o 22.6588 4.26909 1.91651      1.60831  4.28753      1.56835  10.9844     307.202     9.38571     127.202     
1 1 1 2  27 6  o 33.4448 3.68307 7.71903      1.92551  5.52088      1.73334  22.2232     92.5363     5.53185     272.536     
1 1 1 2  27 7  o 80.5935 2.36832 36.8273      2.93664  35.8064      2.92862  67.9713     206.549     9.16631     206.549     
1 1 1 2  27 8  o 66.8242 2.62629 23.0666      2.78468  27.3223      2.55526  52.8363     279.521     1.11293     279.521     
1 1 1 2  27 9  o 36.4215 3.40593 8.6665       1.82653  6.83076      1.86613  20.2445     24.5292     14.6643     204.529     
1 1 1 2  27 10 o 75.5616 2.62124 31.8167      3.038    32.565       3.04307  64.1948     280.971     10.0925     280.971     
1 1 1 2  27 11 o 21.9507 4.80861 2.57394      1.78569  3.36614      1.81761  10.9263     232.96      5.40216     52.96       
1 1 1 2  27 12 o 53.8205 3.02919 19.1413      2.47896  14.2236      2.45478  36.5853     222.312     10.0067     42.3118     
1 1 1 2  27 13 o 17.0656 4.49697 0.122184     1.68006  2.4472       1.70085  1.71082     256.47      16.0641     76.47       
1 1 1 2  27 14 o 19.2271 4.73594 2.13022      1.71153  2.1837       1.72854  6.44594     160.805     8.02439     340.805     
1 1 1 2  27 15 o 41.1346 3.82122 10.7316      2.3464   9.44831      2.36509  28.6549     120.919     4.38435     300.919     
1 1 1 2  27 16 f 18.116  4.8257  1.84281      1.83206  1.59461      1.83636  19.3292     179.326     0           0           
1 1 1 2  27 17 o 54.4265 2.93782 18.9472      2.43753  15.1573      2.42376  43.4686     205.792     3.69103     205.792     
1 1 1 2  27 18 o 42.8612 4.31869 12.0056      2.93212  10.5197      2.61028  29.2199     181.517     5.87386     1.51731     
1 1 1 2  27 19 o 35.4962 4.61505 5.8114       2.61622  10.2023      2.06663  15.1508     127.525     22.6192     307.525     
1 1 1 2  27 20 o 29.282  4.86429 4.26038      2.50401  6.85954      1.91548  17.2653     234.755     6.8061      54.7554     
1 1 1 2  27 21 o 66.5905 3.05929 26.9404      3.29533  24.7928      2.94462  58.8298     323.731     15.1182     323.731     
1 1 1 2  27 22 o 44.2239 3.65645 14.9737      2.19593  8.97304      2.42452  34.9502     331.936     3.40791     331.936     
1 1 1 2  27 23 o 14.0304 4.15382 -0.35878     1.529    1.24489      1.57921  1.43381     149.456     10.2064     329.456     
1 1 1 2  27 24 o 16.2997 4.4586  1.73759      1.58006  1.04207      1.63163  3.54885     52.4246     12.8065     232.425     
1 1 1 2  27 25 o 19.3871 4.67093 2.78244      1.65159  2.1307       1.71357  9.05876     132.131     7.36116     312.131     
1 1 1 2  27 26 o 38.2093 3.59509 7.9466       2.02731  10.1544      2.07011  22.8663     2.08726     12.0517     182.087     
1 1 1 2  27 27 o 19.0378 4.72838 1.74478      1.67784  3.02906      1.80262  9.62457     97.5478     3.93647     277.548     
1 1 1 2  27 28 o 15.6028 4.2083  2.66986      1.58964  -1.66258     1.86329  1.05181     323.098     17.2624     143.098     
1 1 1 2  27 29 o 27.062  4.92104 5.25836      1.89573  5.18153      2.24277  19.6674     300.008     2.07064     300.008     
1 1 1 2  27 30 o 11.7753 3.8742  -1.19333     1.56606  -0.365638    1.82124  2.05191     298.741     17.5866     298.741     
1 1 1 2  27 31 o 21.6807 5.04344 2.93801      1.87406  4.12647      2.04585  15.2085     180.799     1.40346     180.799     
1 1 1 2  27 32 o 23.6538 5.09911 4.24061      1.93406  4.32659      2.12181  13.1059     348.27      7.23708     168.27      
1 1 1 2  27 33 o 12.348  4.00403 0.59782      1.76487  -1.99114     1.83756  1.95562     56.2865     2.21044     236.287     
1 1 1 2  27 34 o 37.4662 4.74704 11.1707      2.78187  9.20625      2.49771  28.9282     91.7569     2.69541     91.7569     
1 1 1 2  27 35 o 25.0056 5.69693 5.44004      2.26761  5.50353      2.77549  16.6442     116.232     0.83597     296.232     
1 1 1 2  27 36 o 16.7542 4.98778 1.02704      2.12305  2.62487      2.29832  7.57228     225.471     1.6181      45.4711     
1 1 1 2  27 37 o 21.1416 5.26577 1.84377      2.29075  5.58974      2.3435   11.6628     102.005     0.188845    102.005     
1 1 1 2  27 38 o 15.0561 4.69612 -0.0755192   2.09462  1.90133      2.22381  0.899416    222.402     2.72044     42.4016     
1 1 1 2  27 39 o 11.4815 3.87725 -1.44037     1.88278  -0.909492    1.95626  0.2897      354.973     2.84643     354.973     
1 1 1 2  27 40 o 14.5985 4.82456 0.513903     3.2823   0.710891     2.17495  2.40397     241.142     10.3507     61.1423     
1 1 1 2  27 41 o 15.5977 5.05223 1.10413      3.4019   1.66201      2.26569  6.76463     227.063     1.61686     47.0628     
1 1 1 2  27 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  28 0  f 13.5647 5.57607 1.43006      1.91427  1.43006      1.91427  2.31037     0.000382573 0           0           
1 1 1 2  28 1  o 26.8257 4.69678 4.07456      2.03206  4.98783      1.848    15.044      139.52      6.32987     319.52      
1 1 1 2  28 2  o 45.8643 3.1469  13.1171      2.19458  11.2344      2.18273  21.5593     256.542     26.8179     76.5417     
1 1 1 2  28 3  o 30.4098 3.9655  5.77768      1.79378  5.4155       1.78287  6.55929     75.1803     31.763      255.18      
1 1 1 2  28 4  o 11.0524 3.61451 -1.5734      1.45294  -0.51018     1.47181  1.33448     56.6596     5.62975     56.6596     
1 1 1 2  28 5  o 42.3006 3.21001 8.81902      2.03274  12.0749      2.03089  32.1761     113.129     1.40009     113.129     
1 1 1 2  28 6  o 38.9735 3.35547 9.84751      1.99602  7.97236      1.93338  30.1587     308.226     3.18114     308.226     
1 1 1 2  28 7  o 33.3    3.9539  5.38522      2.01046  8.09194      1.80748  19.0059     77.6717     10.4074     257.672     
1 1 1 2  28 8  o 43.1976 3.49913 12.0237      2.42765  9.95633      2.1461   27.8138     48.2012     9.22357     228.201     
1 1 1 2  28 9  o 19.2942 4.16217 3.95688      1.55992  -0.637387    1.85571  1.36404     135.996     22.2176     315.996     
1 1 1 2  28 10 o 40.3012 3.76123 7.98289      2.23911  11.4967      2.23383  30.2441     119.595     1.17583     119.595     
1 1 1 2  28 11 o 18.8175 5.02364 1.54103      2.2303   2.1509       1.80187  4.19087     309.018     12.8948     129.018     
1 1 1 2  28 12 o 16.7103 4.32982 2.93516      1.72694  -1.27686     1.74735  0.218188    300.513     18.4731     120.513     
1 1 1 2  28 13 o 38.8796 3.74232 8.82067      2.18545  9.30821      2.17732  32.8291     264.141     9.62526     264.141     
1 1 1 2  28 14 o 23.1112 5.13611 3.48113      2.03538  3.49643      2.03885  9.56888     341.21      10.9011     161.21      
1 1 1 2  28 15 o 28.3889 4.88354 4.92168      2.11258  5.61534      2.12072  21.1915     286.501     5.83794     286.501     
1 1 1 2  28 16 o 30.9213 4.43521 9.00085      1.99424  3.53001      2.12929  26.3693     31.3238     12.6492     31.3238     
1 1 1 2  28 17 o 34.1159 4.7069  9.04911      2.36999  6.15238      2.38294  19.9284     109.793     9.98286     289.793     
1 1 1 2  28 18 o 22.7714 5.13151 3.53621      2.07872  3.49551      1.97655  13.6812     349.623     0.0529907   169.623     
1 1 1 2  28 19 o 16.5716 4.67762 1.99864      1.94805  0.667425     1.68433  5.37321     233.434     3.07894     53.4337     
1 1 1 2  28 20 o 34.4614 4.32776 7.31545      2.19081  7.99522      2.23323  19.5661     142.1       11.9683     322.1       
1 1 1 2  28 21 o 13.3237 4.03077 1.18581      1.50144  -1.30031     1.68165  2.24616     313.187     8.61326     133.187     
1 1 1 2  28 22 o 14.6637 4.24208 -0.524728    1.53264  1.86763      1.68816  4.02637     142.567     1.2875      322.567     
1 1 1 2  28 23 o 11.1972 3.5762  0.470315     1.37443  -2.137       1.44326  0.00265692  220.261     7.16559     40.2581     
1 1 1 2  28 24 o 15.0183 4.18988 -0.175575    1.4854   2.05099      1.56211  3.93056     275.933     6.63078     95.9332     
1 1 1 2  28 25 o 35.8573 3.95197 8.43417      2.24162  8.09137      1.9727   28.0461     171.289     4.11593     171.289     
1 1 1 2  28 26 f 34.3182 3.98056 8.51299      2.06842  6.8136       1.98256  28.645      313.298     0           0           
1 1 1 2  28 27 o 24.2648 4.76043 3.4177       1.96511  5.04153      1.81041  14.4064     120.869     5.07147     300.869     
1 1 1 2  28 28 o 34.2689 4.22093 7.44475      2.26686  8.35165      1.99101  21.9032     219.719     7.05837     39.719      
1 1 1 2  28 29 o 10.7542 3.54915 -0.915253    1.4367   -0.656326    1.45845  1.05399     192.898     4.86386     12.8977     
1 1 1 2  28 30 o 28.8612 4.99446 4.97176      2.43224  7.62681      2.10672  21.2951     152.13      1.75261     152.13      
1 1 1 2  28 31 o 45.3831 3.3644  12.3426      2.29584  13.8618      2.33021  39.4287     327.012     11.5633     327.012     
1 1 1 2  28 32 o 15.3644 4.42667 0.203723     1.73345  2.24622      1.72413  0.39176     63.29       19.1363     243.29      
1 1 1 2  28 33 o 16.3198 4.67562 1.87502      1.75404  1.63973      1.91307  7.20275     341.595     0.670887    161.595     
1 1 1 2  28 34 o 11.0708 3.70844 -0.531784    1.61173  -1.72281     1.80796  0.183467    37.3749     4.11801     37.3749     
1 1 1 2  28 35 o 16.2645 4.79391 1.51923      1.945    1.91926      2.04198  2.15857     158.296     12.403      338.296     
1 1 1 2  28 36 o 17.1666 4.84958 4.20007      2.24494  -1.12716     2.26604  4.22436     5.82383     6.25766     185.824     
1 1 1 2  28 37 o 11.9416 4.07532 -3.01907     2.68878  -0.609487    1.98174  0.34637     25.0845     7.41488     25.0845     
1 1 1 2  28 38 o 16.6753 5.2338  4.29515      3.00403  0.316092     2.39006  6.66667     283.869     2.90182     103.869     
1 1 1 2  28 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  29 0  o 49.0914 3.2756  13.9041      2.42252  13.9041      2.42252  43.4439     360         10.6325     360         
1 1 1 2  29 1  o 53.1563 3.57717 15.8883      3.02816  17.6552      2.71251  44.3348     68.8096     9.09773     68.8096     
1 1 1 2  29 2  o 18.4124 4.73782 1.19331      1.72863  2.6138       1.81959  4.58666     297.208     10.9637     117.208     
1 1 1 2  29 3  o 28.7148 4.36213 4.08048      1.87985  6.38616      1.88086  20.235      220.563     2.48161     220.563     
1 1 1 2  29 4  o 44.2722 3.24048 9.56447      2.12264  13.6097      2.17331  35.2927     133.381     5.28288     133.381     
1 1 1 2  29 5  o 13.0065 4.05859 0.493401     1.63881  -1.0044      1.60921  0.621739    150.584     8.58564     150.584     
1 1 1 2  29 6  o 32.874  4.04379 5.15844      1.96253  8.3195       1.91582  26.4114     171.448     7.58809     171.448     
1 1 1 2  29 7  o 17.5553 4.53943 2.39064      1.64866  0.977906     1.63897  3.88295     20.0236     11.3338     200.024     
1 1 1 2  29 8  o 20.0786 5.03814 0.888252     2.00475  3.85554      2.14877  4.54085     171.717     16.4852     351.717     
1 1 1 2  29 9  o 16.4756 4.33732 -1.14698     2.07145  2.51229      1.48931  1.18686     25.1769     22.6764     25.1769     
1 1 1 2  29 10 o 13.414  4.23002 -0.377496    1.76921  -0.0292917   1.77987  0.126166    123.814     10.5014     123.814     
1 1 1 2  29 11 o 12.7672 4.11346 -0.0892766   1.74229  -1.32326     1.8742   1.7572      43.511      14.9769     43.511      
1 1 1 2  29 12 o 24.76   4.98982 5.05615      2.0366   3.27472      2.02651  15.1056     9.70556     2.2531      189.706     
1 1 1 2  29 13 o 33.1493 4.90525 7.59071      2.41503  7.0898       2.43194  25.0661     130.857     2.99922     130.857     
1 1 1 2  29 14 o 22.0246 5.25238 3.89476      2.14063  2.76808      2.12134  13.3519     1.21663     0.0969934   181.217     
1 1 1 2  29 15 f 27.0507 4.84672 3.495        2.02332  6.60312      2.13881  17.6481     153.971     0           0           
1 1 1 2  29 16 o 13.367  4.24857 -0.510503    1.82654  0.063032     1.83581  0.126669    168.366     15.0994     348.366     
1 1 1 2  29 17 o 12.9237 4.11638 0.338127     1.77085  -1.05517     1.72533  1.78467     338.019     2.31856     158.019     
1 1 1 2  29 18 o 16.8146 4.95803 2.63466      2.55418  0.146315     1.7041   6.89622     174.919     2.49308     354.919     
1 1 1 2  29 19 o 18.4514 4.88476 2.10453      1.85823  2.23953      1.88556  4.74224     257.058     14.3891     77.0575     
1 1 1 2  29 20 o 13.0411 4.0798  -0.023647    1.52806  0.171699     1.7009   0.932288    273.94      2.46508     93.9402     
1 1 1 2  29 21 o 15.0656 4.37399 0.023679     1.77089  1.68621      1.61926  0.646428    105.911     19.526      105.911     
1 1 1 2  29 22 o 46.4654 4.22588 13.7656      2.55467  14.6012      3.28593  39.5809     121.585     10.4918     121.585     
1 1 1 2  29 23 o 22.0065 5.55468 5.03061      2.7588   2.67287      2.00272  9.29061     262.587     11.4584     82.5869     
1 1 1 2  29 24 o 19.6412 5.81135 1.9439       2.77128  3.62719      3.12953  8.0149      11.7693     10.1874     191.769     
1 1 1 2  29 25 o 35.0842 4.96827 8.44153      1.97803  9.41597      3.13041  34.8686     161.743     20.4089     161.743     
1 1 1 2  29 26 o 21.2134 5.46872 3.43487      2.81961  3.71635      1.98133  4.75154     338.287     20.0959     158.287     
1 1 1 2  29 27 f 24.6185 5.42581 5.81282      2.8811   4.21158      1.74689  20.7012     122.728     0           0           
1 1 1 2  29 28 o 21.1495 6.05991 4.81717      2.87727  3.02098      3.5455   13.3304     261.701     2.29939     261.701     
1 1 1 2  29 29 o 23.9936 5.4239  5.35082      2.98829  4.42297      1.73384  14.6005     332.108     3.02211     152.108     
1 1 1 2  29 30 o 31.4983 4.6477  3.2421       2.13891  12.6991      2.58481  23.4798     130.031     2.42828     130.031     
1 1 1 2  29 31 f 29.0834 5.67139 6.35039      4.66889  8.9416       2.16222  21.3007     129.875     0           0           
1 1 1 2  29 32 f 30.993  4.18353 1.96256      1.7377   13.6468      2.52187  8.91791     124.917     0           0           
1 1 1 2  29 33 o 38.6496 5.18429 2.37595      4.07902  24.7483      3.81688  36.3449     236.643     23.3694     236.643     
1 1 1 2  29 34 o 15.3713 5.16598 2.86079      4.09656  -0.556096    2.09019  2.43641     67.9909     4.12215     247.991     
1 1 1 2  29 35 f 14.2864 4.88166 -0.317455    4.80919  0.146763     1.94361  10.4234     4.13786     0           0           
1 1 1 2  29 36 o 18.6677 5.0683  -1.08123     3.64673  4.85573      2.08493  6.5764      86.0595     11.0683     266.06      
1 1 1 2  29 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  30 0  o 26.5353 5.89939 5.26477      2.11655  5.26477      2.11655  21.5447     9.63045e-05 15.1719     9.63045e-05 
1 1 1 2  30 1  o 19.2111 5.1867  2.63154      2.15547  1.89386      2.13089  9.38443     330.308     1.48794     150.308     
1 1 1 2  30 2  o 17.9774 4.95518 2.0673       2.03863  1.61498      1.91842  3.66749     313.582     15.4949     133.582     
1 1 1 2  30 3  o 60.7949 2.77384 22.6065      2.59329  20.5311      2.56849  44.8021     80.7025     2.05315     260.703     
1 1 1 2  30 4  o 52.718  3.0127  16.5129      2.42281  16.348       2.42688  38.7497     340.134     1.52552     160.134     
1 1 1 2  30 5  o 15.4937 4.4779  1.95893      1.80055  -0.364952    1.77105  4.78306     173.548     3.71451     353.548     
1 1 1 2  30 6  o 15.7458 4.54935 0.393785     1.76564  1.66479      1.78947  3.06388     23.7401     0.223493    203.74      
1 1 1 2  30 7  f 33.1128 4.1047  6.25609      2.03435  7.79324      1.97862  29.0627     250.765     0           0           
1 1 1 2  30 8  o 16.7228 4.69477 2.0938       1.88371  0.776052     1.77603  1.01589     70.2034     19.9915     250.203     
1 1 1 2  30 9  o 15.1295 4.7625  -0.268917    2.01422  0.713714     2.43955  2.94667     206.354     11.8145     26.3536     
1 1 1 2  30 10 o 20.4271 5.41726 1.99413      2.07416  3.74028      2.55229  10.1897     8.02913     5.57827     188.029     
1 1 1 2  30 11 o 20.134  5.15914 2.90703      2.0712   2.5804       2.05105  10.0899     75.9472     4.13594     75.9472     
1 1 1 2  30 12 o 16.7097 4.92606 1.75236      2.12293  0.722862     2.12153  1.96817     47.405      17.1175     227.405     
1 1 1 2  30 13 o 14.8067 4.54566 0.928121     1.87591  -0.0331017   2.01421  0.273551    186.796     16.8548     6.79622     
1 1 1 2  30 14 o 34.8282 4.48307 7.40628      2.24968  8.77897      2.38142  24.5486     166.585     0.792239    346.585     
1 1 1 2  30 15 o 16.9842 4.93828 2.31089      2.12619  0.465586     2.13495  5.29187     106.406     1.68122     286.406     
1 1 1 2  30 16 o 19.2087 4.68547 -0.73234     2.13504  4.54085      2.0057   9.67421     62.5831     0.948651    242.583     
1 1 1 2  30 17 o 16.3739 4.68455 2.26112      1.93261  0.485805     1.82254  3.49245     131.95      12.7658     311.95      
1 1 1 2  30 18 o 12.0729 3.93181 -0.0840454   1.69008  -1.21845     1.7215   0.669047    134.651     9.71597     314.651     
1 1 1 2  30 19 o 13.1486 4.12503 0.163438     1.61097  0.160778     1.71679  3.24388     279.979     6.05631     99.9785     
1 1 1 2  30 20 o 14.2027 4.22109 0.00222992   1.57397  1.45799      1.62935  3.25034     211.526     10.7712     31.5257     
1 1 1 2  30 21 o 22.5266 4.51087 4.68241      1.63351  2.56022      1.81631  6.21834     6.85601     19.3751     186.856     
1 1 1 2  30 22 o 15.6481 4.81735 3.32791      2.6898   -1.28658     1.70685  6.39037     318.273     3.3691      138.273     
1 1 1 2  30 23 o 14.8742 4.5719  -0.415718    2.77213  1.30062      1.48868  4.61779     287.124     1.1401      107.124     
1 1 1 2  30 24 o 20.3169 5.77178 1.44911      2.92552  5.16629      2.90952  6.13452     46.2168     3.33583     46.2168     
1 1 1 2  30 25 f 23.693  5.86688 4.60412      2.97363  5.47635      2.45898  12.8241     21.4313     0           0           
1 1 1 2  30 26 o 31.2561 6.42998 8.77671      3.25548  9.71347      3.31339  23.4457     339.697     3.92514     339.697     
1 1 1 2  30 27 o 14.5017 4.82268 0.922725     2.75842  -2.09723     2.88482  3.54239     12.1315     3.22812     192.132     
1 1 1 2  30 28 o 18.2279 5.6151  1.81636      2.92443  3.33711      3.01881  6.72487     164.588     3.1931      344.588     
1 1 1 2  30 29 o 16.0778 5.16104 -1.69437     2.91652  2.90627      2.90989  2.51139     244.434     5.91116     64.4338     
1 1 1 2  30 30 f 15.8534 5.28971 2.57322      3.46812  -2.83172     3.47788  9.32583     152.593     0           0           
1 1 1 2  30 31 o 15.769  5.22845 -3.14384     3.28485  3.35055      3.38113  2.91796     209.45      7.08981     29.45       
1 1 1 2  30 32 o 15.2539 5.16949 2.14755      3.34503  -2.5712      3.95692  3.40632     201.651     2.84727     21.6509     
1 1 1 2  30 33 o 13.9009 4.81688 -1.24457     3.97956  -1.14713     2.98961  3.11412     8.17006     1.78363     188.17      
1 1 1 2  30 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  31 0  o 12.9619 5.54174 1.35249      2.03122  1.35249      2.03122  0.544925    180         12.0023     360         
1 1 1 2  31 1  o 42.8822 4.24688 14.7396      2.42125  9.29927      2.74392  33.9482     219.181     5.91123     219.181     
1 1 1 2  31 2  o 14.403  4.5153  0.379203     2.07931  0.0874377    1.89717  2.42018     283.377     4.80562     103.377     
1 1 1 2  31 3  o 18.4174 4.87782 3.28208      1.97459  0.793325     1.98087  2.30512     345.123     0.587512    345.123     
1 1 1 2  31 4  o 15.8434 4.43766 3.12185      1.96004  -3.06926     2.06803  3.83857     178.005     8.0634      358.005     
1 1 1 2  31 5  o 18.1661 4.86883 2.91885      1.92901  1.13643      1.93889  6.97302     244.51      5.2757      64.5104     
1 1 1 2  31 6  o 11.8845 3.91448 -1.97121     1.77629  -0.170106    1.77631  1.85198     140.665     14.0327     140.665     
1 1 1 2  31 7  o 21.4972 5.00248 3.68574      1.94204  2.96433      1.90765  8.0971      288.615     11.8806     108.615     
1 1 1 2  31 8  o 17.6835 5.06463 2.40129      2.51237  1.43494      1.75904  7.0994      131.089     1.27499     311.089     
1 1 1 2  31 9  o 28.7001 6.07545 7.43621      2.92058  5.96706      2.90692  22.0187     49.0829     6.39328     49.0829     
1 1 1 2  31 10 o 13.7593 4.53446 -0.989357    2.07651  -0.423594    2.57868  0.358288    99.1047     14.5569     279.105     
1 1 1 2  31 11 o 18.8985 5.23802 3.83082      2.38003  0.618844     2.33597  9.99967     257.523     2.15425     257.523     
1 1 1 2  31 12 o 18.3406 5.19068 2.29139      2.10628  2.15774      2.3509   8.86279     184.533     4.26601     4.53334     
1 1 1 2  31 13 o 28.5391 5.40013 5.5488       2.45193  6.97523      2.42305  22.0945     78.2281     5.0012      78.2281     
1 1 1 2  31 14 o 13.1739 4.27189 -1.89322     1.95225  0.734939     2.07201  3.75902     310.829     2.13119     130.828     
1 1 1 2  31 15 o 11.111  3.7725  -1.92556     1.89409  -1.55907     1.85489  0.84389     50.3286     13.4124     50.3285     
1 1 1 2  31 16 o 15.4886 4.65822 1.36348      1.99982  0.887611     1.88812  5.38124     48.2626     0.428978    48.2626     
1 1 1 2  31 17 o 20.3774 5.22094 2.98375      2.10162  3.47987      2.12385  13.1484     109.038     3.59617     109.038     
1 1 1 2  31 18 o 19.7247 4.88808 1.407        1.87591  4.35466      2.02968  8.38824     272.842     8.71222     92.8423     
1 1 1 2  31 19 o 21.1137 5.67657 3.85533      2.20631  3.68965      3.04098  4.11501     213.183     20.3531     33.1834     
1 1 1 2  31 20 o 13.0714 4.15146 -1.08027     2.03416  0.779111     1.61487  1.4446      259.269     10.4279     79.2692     
1 1 1 2  31 21 o 39.8702 5.72002 10.9369      3.26801  15.1519      3.52578  34.2252     186.343     12.1957     186.343     
1 1 1 2  31 22 o 19.0865 5.78158 2.73627      2.99287  3.40713      3.07501  9.87446     210.484     1.31023     30.4841     
1 1 1 2  31 23 o 34.6789 6.35156 9.61969      3.42171  12.5635      3.48519  23.7998     303.257     0.671273    123.257     
1 1 1 2  31 24 o 22.7313 6.29147 5.53355      3.18375  5.2426       3.21741  12.0093     305.799     2.56466     125.799     
1 1 1 2  31 25 o 14.659  4.88589 -1.70299     2.90165  0.856837     2.88681  1.10848     100.042     4.9885      280.042     
1 1 1 2  31 26 o 36.6824 6.29319 14.2852      3.56422  10.5159      3.56386  29.6463     17.0964     11.6472     17.0964     
1 1 1 2  31 27 o 13.7742 4.68316 -0.137272    2.90977  -2.28695     2.94356  0.459351    257.018     11.8025     257.018     
1 1 1 2  31 28 f 14.8772 5.07623 -0.381867    3.49499  -0.224211    3.48734  8.15383     290.363     0           0           
1 1 1 2  31 29 o 19.9997 6.14007 0.67882      3.79817  8.53041      3.87157  10.1523     240.864     0.872297    60.864      
1 1 1 2  31 30 o 21.9328 6.58699 7.28803      3.81395  6.57424      3.9712   12.1397     226.543     3.14624     46.5431     
1 1 1 2  31 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  32 0  o 11.5465 5.25501 0.675586     2.14823  0.675586     2.14823  0.920475    180         16.9464     180         
1 1 1 2  32 1  o 14.7994 4.57641 1.89107      2.01978  -2.03312     2.36143  5.34632     66.0505     5.07323     246.051     
1 1 1 2  32 2  o 25.3599 5.32734 7.50146      2.47688  2.58237      2.51993  10.6441     301.12      14.0309     121.12      
1 1 1 2  32 3  o 18.7873 5.17165 1.52614      2.10121  3.4581       2.28199  9.28943     344.194     4.78954     164.194     
1 1 1 2  32 4  o 17.7086 4.99622 1.5685       2.08962  2.53362      2.05453  9.60499     239.778     0.119072    239.778     
1 1 1 2  32 5  o 18.0479 5.02659 1.96679      2.06286  2.49598      2.05386  9.88471     82.5561     0.311403    262.556     
1 1 1 2  32 6  o 17.2338 4.89578 1.18449      1.98783  2.55377      2.03974  8.40538     78.5336     2.54036     258.534     
1 1 1 2  32 7  o 21.4588 5.48006 1.97408      2.17563  5.50496      2.63783  10.0497     161.992     8.14237     341.992     
1 1 1 2  32 8  o 20.8202 5.50338 1.66027      2.91387  4.72045      2.33617  7.47077     237.425     12.6492     57.4253     
1 1 1 2  32 9  o 22.3909 6.0027  2.36267      3.00385  6.29175      3.03123  8.46561     178.882     13.0008     358.882     
1 1 1 2  32 10 o 20.0891 5.93525 0.88963      2.76812  5.74379      3.5023   11.6032     141.209     1.36628     141.209     
1 1 1 2  32 11 o 14.4056 4.63112 -0.20893     2.13526  0.649517     2.34917  3.99402     202.393     3.14335     22.3925     
1 1 1 2  32 12 f 22.1602 5.45747 2.8518       2.32369  5.28414      2.39698  19.4023     33.3702     0           0           
1 1 1 2  32 13 o 18.0361 5.1358  3.36762      2.26576  1.07566      2.27608  7.22173     45.6549     7.00016     225.655     
1 1 1 2  32 14 o 12.7862 4.22897 -1.84552     2.15887  0.151834     2.06477  1.86909     128.145     6.78643     308.145     
1 1 1 2  32 15 o 27.1323 5.29729 5.356        2.31131  6.53793      2.28972  15.6096     85.8204     5.68287     265.82      
1 1 1 2  32 16 o 15.6929 4.74077 0.820396     2.02238  1.85111      2.06262  5.57004     86.2233     1.75626     266.223     
1 1 1 2  32 17 o 16.6983 4.77087 0.150038     2.02791  3.17171      2.03965  2.19256     308.241     16.5673     128.241     
1 1 1 2  32 18 o 17.5973 5.01132 4.02807      2.43868  0.564381     1.85606  7.18278     3.73054     1.27434     183.731     
1 1 1 2  32 19 o 24.2064 5.74413 5.66078      2.17658  5.02768      3.26493  14.7165     61.46       0.849933    61.46       
1 1 1 2  32 20 o 26.4474 6.1698  3.32746      3.32972  10.5225      3.37358  15.3805     284.969     1.75511     104.969     
1 1 1 2  32 21 o 14.4618 4.84774 -2.95663     2.98449  1.15258      2.94438  0.375738    124.872     3.60808     304.872     
1 1 1 2  32 22 o 25.1156 5.94389 1.50998      3.26598  10.5506      3.35568  5.00877     191.406     2.71231     191.406     
1 1 1 2  32 23 o 18.8631 5.81167 2.39538      3.18624  4.15969      3.20385  5.94365     36.8837     2.09415     216.884     
1 1 1 2  32 24 o 12.8224 4.43136 -0.0975957   2.8875   -4.73098     3.00368  0.346162    102.952     2.37373     282.952     
1 1 1 2  32 25 o 22.2534 6.12025 2.44601      3.37976  9.06008      3.39055  12.9538     214.799     0.546471    214.799     
1 1 1 2  32 26 o 15.7839 5.14628 4.11998      3.09819  -3.04731     3.21316  5.44393     165.921     0.55743     345.921     
1 1 1 2  32 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  33 0  o 10.8597 5.18891 -0.132547    2.53983  -0.132547    2.53983  0.0970712   2.70981e-05 6.93411     180         
1 1 1 2  33 1  o 24.4636 6.05137 4.46672      2.38334  6.86925      3.2348   3.55673     91.5053     26.354      271.505     
1 1 1 2  33 2  o 25.1723 5.05732 8.89947      2.59799  1.40683      2.35882  16.0206     261.57      0.797098    81.5704     
1 1 1 2  33 3  o 14.2163 4.48641 -1.93754     2.1459   1.88715      2.13074  2.10261     169.708     11.042      349.708     
1 1 1 2  33 4  o 12.5152 4.16711 -0.73489     2.06888  -0.895972    2.07497  1.55343     242.539     6.21552     62.5394     
1 1 1 2  33 5  o 27.1998 5.42058 4.84452      2.58652  7.51249      2.3614   16.4015     214.753     3.60093     34.7529     
1 1 1 2  33 6  o 15.9641 4.81279 1.81462      2.06922  1.08762      2.11886  5.4864      345.266     5.44914     165.266     
1 1 1 2  33 7  o 15.9247 5.05831 1.33544      2.14389  0.661661     3.15862  5.21874     352.332     1.07239     172.332     
1 1 1 2  33 8  o 13.6356 4.56253 -2.1247      2.96828  0.0288224    2.273    1.47106     303.716     11.0855     123.716     
1 1 1 2  33 9  o 15.8175 5.37628 1.2279       3.72725  -3.37804     4.15422  3.84728     106.741     9.38644     286.741     
1 1 1 2  33 10 o 16.9982 5.34582 2.4335       2.39981  0.00327536   3.728    5.22874     254.936     0.463151    74.9358     
1 1 1 2  33 11 o 20.9386 5.19071 6.23981      2.44615  0.436553     2.481    11.3255     320.239     0.894189    320.239     
1 1 1 2  33 12 o 14.2204 4.58802 -0.831515    2.26353  1.18352      2.26717  0.264239    35.2498     12.8865     215.25      
1 1 1 2  33 13 o 21.0324 5.97016 5.3351       3.08248  3.21865      2.86887  8.87069     229.405     0.60056     229.405     
1 1 1 2  33 14 o 16.7705 5.03674 1.79008      2.34481  1.9518       2.19509  0.945497    35.171      0.732952    215.171     
1 1 1 2  33 15 o 13.0458 4.28582 -0.73552     2.19043  0.042793     1.98177  0.803566    155.808     7.18879     155.808     
1 1 1 2  33 16 o 12.6229 4.34498 0.0594233    3.05208  -2.48039     1.86778  0.774446    302.908     5.71535     302.908     
1 1 1 2  33 17 o 23.2628 5.59721 3.86385      3.46704  5.85182      2.14709  11.2023     196.515     4.01107     16.5155     
1 1 1 2  33 18 o 14.3906 4.34801 -2.43978     3.24695  1.69133      1.30168  1.18254     21.4133     8.25049     201.413     
1 1 1 2  33 19 o 21.1367 5.91376 -0.267813    3.33786  8.93565      3.44361  9.56447     273.904     2.36294     273.904     
1 1 1 2  33 20 o 16.6246 5.53378 2.62469      4.00719  1.59056      3.27851  4.37502     240.515     1.15085     60.5154     
1 1 1 2  33 21 o 15.2751 5.11385 2.01366      3.24097  -0.41934     3.19506  4.5478      123.349     2.51136     303.349     
1 1 1 2  33 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  33 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  34 0  o 12.6813 5.7136  1.31583      2.46121  1.31583      2.46121  1.60359     360         10.2613     360         
1 1 1 2  34 1  o 18.1174 5.34239 2.82847      2.37623  2.3136       2.61061  2.73365     24.9292     12.2802     204.929     
1 1 1 2  34 2  o 15.9805 4.96543 2.89418      2.54664  -0.556641    2.32901  1.30567     317.122     4.29365     137.122     
1 1 1 2  34 3  o 16.6819 4.89248 3.79453      2.32149  -1.22466     2.33576  1.58422     328.614     10.8186     148.614     
1 1 1 2  34 4  o 14.8538 4.7002  1.77702      2.27015  -0.486657    2.2501   0.317115    245.953     7.61214     65.9525     
1 1 1 2  34 5  o 20.5739 5.49858 2.31379      2.32501  5.22702      2.58608  6.38573     103.568     0.957157    283.568     
1 1 1 2  34 6  o 23.437  6.6226  11.3803      4.458    2.08053      3.01207  10.0164     293.112     5.48789     113.112     
1 1 1 2  34 7  f 15.4383 4.94347 2.48987      2.64446  -1.35918     2.62522  11.2733     225.543     0           0           
1 1 1 2  34 8  o 22.6721 6.61327 7.38663      4.36731  5.18306      3.1646   8.76586     127.947     8.03685     307.947     
1 1 1 2  34 9  o 16.7825 5.60839 4.14712      3.98793  -3.10228     3.88882  1.90667     352.048     1.71466     172.048     
1 1 1 2  34 10 o 16.0773 5.32774 2.24317      3.17851  -0.886905    3.68909  2.75153     287.553     6.83045     107.553     
1 1 1 2  34 11 o 18.6633 5.79025 5.45568      3.68549  1.89492      2.62652  5.91906     253.229     1.24276     73.2291     
1 1 1 2  34 12 f 16.6342 5.33583 0.674533     3.70638  2.76959      2.61971  8.82396     165.637     0           0           
1 1 1 2  34 13 o 15.1478 5.12691 4.02057      3.89045  -1.7894      2.38898  2.91126     120.803     2.93231     300.803     
1 1 1 2  34 14 o 17.8133 5.63267 5.99701      3.8559   1.25663      2.29502  7.04968     241.381     3.50576     61.3808     
1 1 1 2  34 15 f 15.6152 5.10066 1.08181      3.36556  1.66511      2.50578  1.41332     205.889     0           0           
1 1 1 2  34 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  34 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  34 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  35 0  o 15.4035 6.65392 3.16516      2.99394  3.16516      2.99394  6.3352      180         3.16356     360         
1 1 1 2  35 1  o 16.1309 5.13098 3.74105      2.81195  -0.678798    2.80743  5.85454     173.3       1.11867     353.3       
1 1 1 2  35 2  f 14.1187 4.74724 0.471721     2.90115  -0.357398    2.72165  9.82414     193.017     0           0           
1 1 1 2  35 3  o 17.3975 5.36304 2.45077      2.52758  3.18591      2.86992  6.06274     211.818     7.79671     31.8179     
1 1 1 2  35 4  o 16.8348 5.2845  0.471745     2.84632  3.89306      2.82775  6.08661     159.423     1.17487     159.423     
1 1 1 2  35 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  35 6  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  35 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  35 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  35 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 2  35 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  0  1  o 89.4816 2.11821 43.7453      2.9113   43.7453      2.9113   23.5156     270         211.944     270         
1 1 1 3  0  2  o 24.0856 2.21053 3.31486      0.781809 3.31486      0.781809 43.7443     180         94.8935     180         
1 1 1 3  0  3  o 96.3452 1.82426 50.6505      2.70211  50.6505      2.70211  24.7405     90          5.29156     90          
1 1 1 3  0  4  o 110.559 1.8121  66.662       3.08134  66.662       3.08134  88.0755     1.86978e-05 7.52632     180         
1 1 1 3  0  5  o 174.876 1.8174  166.624      4.8917   166.624      4.8917   147.713     90          33.4576     270         
1 1 1 3  0  6  o 197.306 1.83159 212.081      5.56276  212.081      5.56276  277.295     180         194.865     180         
1 1 1 3  0  7  o 194.526 1.82809 206.152      5.47384  206.152      5.47384  261.884     90          209.008     90          
1 1 1 3  0  8  o 186.454 1.82649 189.411      5.24192  189.411      5.24192  223.202     360         98.1171     360         
1 1 1 3  0  9  o 226.701 2.10227 280.013      7.33607  280.013      7.33607  181.431     90          63.0082     270         
1 1 1 3  0  10 o 177.373 2.11469 171.479      5.77227  171.479      5.77227  167.238     360         2.05121     360         
1 1 1 3  0  11 o 265.377 1.84615 383.615      7.54265  383.615      7.54265  318.727     90          139.534     90          
1 1 1 3  0  12 o 51.6739 2.14642 14.6916      1.69434  14.6916      1.69434  8.68414     360         29.2106     360         
1 1 1 3  0  13 o 275.688 1.83941 413.979      7.80728  413.979      7.80728  257.996     90          0.555176    270         
1 1 1 3  0  14 o 503.823 1.88557 1382.31      14.6279  1382.31      14.6279  544.053     1.78803e-06 144.867     1.78803e-06 
1 1 1 3  0  15 o 79.2019 1.93985 34.2793      2.35944  34.2793      2.35944  11.1318     90          22.8402     270         
1 1 1 3  0  16 o 289.007 1.84666 454.899      8.21685  454.899      8.21685  321.836     180         103.564     180         
1 1 1 3  0  17 o 717.709 1.95864 2804.85      21.6461  2804.85      21.6461  747.261     90          154.551     90          
1 1 1 3  0  18 o 874.625 2.02303 4165.39      27.246   4165.39      27.246   930.606     3.24486e-06 229.971     3.24486e-06 
1 1 1 3  0  19 o 494.999 2.18527 1334.35      16.6556  1334.35      16.6556  536.323     270         150.448     270         
1 1 1 3  0  20 o 219.979 2.15775 263.649      7.30608  263.649      7.30608  200.787     4.33575e-06 7.77078     180         
1 1 1 3  0  21 o 670.854 2.26115 2450.83      23.3574  2450.83      23.3574  620.98      270         4.90173     90          
1 1 1 3  0  22 o 396.843 2.389   857.786      14.5967  857.786      14.5967  383.347     360         30.0526     360         
1 1 1 3  0  23 o 201.802 2.41491 221.967      7.49955  221.967      7.49955  261.53      270         184.345     270         
1 1 1 3  0  24 o 224.56  2.20602 274.78       7.62505  274.78       7.62505  152.177     1.87312e-06 111.35      180         
1 1 1 3  0  25 o 90.0463 2.19856 44.317       3.04031  44.317       3.04031  49.8145     90          32.5329     270         
1 1 1 3  0  26 o 134.223 1.9366  98.2373      3.99899  98.2373      3.99899  158.104     8.01816e-07 115.417     8.01816e-07 
1 1 1 3  0  27 o 126.787 1.95332 87.6745      3.80952  87.6745      3.80952  78.6987     270         76.1918     90          
1 1 1 3  0  28 o 271.562 1.8986  401.784      7.93775  401.784      7.93775  242.358     180         14.91       8.66896e-06 
1 1 1 3  0  29 o 81.8113 2.09626 36.6035      2.633    36.6035      2.633    79.4618     270         21.5791     270         
1 1 1 3  0  30 o 242.116 1.90548 319.432      7.10224  319.432      7.10224  250.79      1.78285e-06 57.6601     1.78285e-06 
1 1 1 3  0  31 o 27.2431 3.95355 4.52288      1.46567  4.52288      1.46567  3.98787     89.9998     11.1075     89.9998     
1 1 1 3  0  32 o 138.415 1.96414 104.503      4.18263  104.503      4.18263  165.774     180         78.818      180         
1 1 1 3  0  33 o 210.572 1.92847 241.696      6.25086  241.696      6.25086  190.715     270         2.49924     90          
1 1 1 3  0  34 o 255.04  1.92395 354.513      7.55407  354.513      7.55407  223.361     180         17.3602     8.65056e-06 
1 1 1 3  0  35 o 188.045 2.08738 192.835      6.04104  192.835      6.04104  223.414     90          105.35      90          
1 1 1 3  0  36 f 271.591 1.92945 402.053      8.06751  402.053      8.06751  212.387     2.3757e-06  0           0           
1 1 1 3  0  37 o 131.926 2.03281 94.9935      4.12526  94.9935      4.12526  123.529     270         8.50974     270         
1 1 1 3  0  38 o 90.9092 2.2123  45.2229      3.08867  45.2229      3.08867  85.3924     180         6.77126     180         
1 1 1 3  0  39 o 48.2498 2.87292 12.9803      2.09844  12.9803      2.09844  45.8195     270         15.8749     270         
1 1 1 3  0  40 o 21.8215 5.7683  3.52263      1.80622  3.52263      1.80622  4.16706     180         20.2823     180         
1 1 1 3  0  41 o 143.207 2.32765 112.17       5.12686  112.17       5.12686  137.591     270         18.6198     270         
1 1 1 3  0  42 o 224.172 2.77787 275.276      9.58261  275.276      9.58261  257.31      180         113.99      180         
1 1 1 3  0  43 o 91.3177 2.55299 45.8574      3.57722  45.8574      3.57722  74.665      270         13.458      90          
1 1 1 3  0  44 o 31.4311 4.9466  6.21438      2.09202  6.21438      2.09202  11.7955     360         32.0615     180         
1 1 1 3  0  45 o 15.6009 5.64886 2.02045      1.71865  2.02045      1.71865  0.551184    89.9999     4.95504     270         
1 1 1 3  0  46 o 96.7231 2.16452 51.4151      3.21658  51.4151      3.21658  103.57      7.9969e-07  36.0752     7.9969e-07  
1 1 1 3  0  47 o 85.2856 2.26138 40.0872      2.96038  40.0872      2.96038  71.3471     270         7.72699     90          
1 1 1 3  0  48 o 26.2497 4.95171 4.58449      1.72934  4.58449      1.72934  25.0543     360         10.4524     360         
1 1 1 3  0  49 o 14.4405 5.39067 1.75299      1.59918  1.75299      1.59918  3.81011     89.9998     3.75175     270         
1 1 1 3  0  50 o 47.0803 2.97005 12.5908      2.11197  12.5908      2.11197  47.6914     180         13.0587     180         
1 1 1 3  0  51 o 25.4143 5.23031 4.4923       1.77666  4.4923       1.77666  24.5828     90          7.6851      90          
1 1 1 3  0  52 o 44.5801 3.15795 11.4327      2.11415  11.4327      2.11415  50.4063     2.49485e-10 23.3373     2.49485e-10 
1 1 1 3  0  53 o 12.7872 5.23007 1.29703      1.67084  1.29703      1.67084  0.653826    89.9999     4.56748     270         
1 1 1 3  0  54 o 7.83543 3.83589 -1.10592     1.58757  -1.10592     1.58757  1.89837     180         5.7877      180         
1 1 1 3  0  55 o 11.3961 4.98957 0.79318      1.73717  0.79318      1.73717  0.847167    90          11.8892     270         
1 1 1 3  0  56 o 16.3099 6.04795 2.54187      2.00248  2.54187      2.00248  7.2744      360         12.1114     180         
1 1 1 3  0  57 o 11.9637 5.26302 0.95943      1.95567  0.95943      1.95567  0.900104    89.9999     1.9722      270         
1 1 1 3  0  58 o 14.6524 6.11828 2.08616      2.36617  2.08616      2.36617  8.24648     0           5.70892     180         
1 1 1 3  0  59 o 11.5028 5.32505 0.489246     2.33933  0.489246     2.33933  0.72912     270         16.0445     90          
1 1 1 3  0  60 o 18.2761 6.68956 3.62168      2.42717  3.62168      2.42717  15.3541     360         4.08469     360         
1 1 1 3  0  61 o 10.4694 4.83115 0.420088     1.90321  0.420088     1.90321  1.13749     270         9.10042     90.0001     
1 1 1 3  0  62 o 8.16638 4.03208 -1.20561     1.85607  -1.20561     1.85607  0.55863     180         1.75855     180         
1 1 1 3  0  63 o 11.8448 5.29232 1.15469      2.0611   1.15469      2.0611   0.418089    89.9999     2.07524     270         
1 1 1 3  0  64 o 37.5222 4.52219 9.62414      2.38518  9.62414      2.38518  45.8516     180         29.1323     180         
1 1 1 3  1  0  o 622.98  1.89624 2113.33      18.1903  2113.33      18.1903  539.014     270         94.8224     90          
1 1 1 3  1  1  o 565.792 1.87908 1743.75      16.372   1742.74      16.3713  440.061     223.526     179.331     43.5261     
1 1 1 3  1  2  o 289.376 1.82047 469.457      8.11416  442.736      8.10517  292.168     226.158     54.7308     226.158     
1 1 1 3  1  3  o 445.819 2.0015  1098.74      12.7211  1066.12      14.6599  297.022     237.599     238.362     57.5985     
1 1 1 3  1  4  o 255.561 2.21287 347.781      7.1372   363.695      10.0901  197.723     336.516     71.8935     156.516     
1 1 1 3  1  5  o 183.519 2.47399 184.982      5.1453   181.904      8.42027  116.212     165.014     95.074      345.014     
1 1 1 3  1  6  o 111.962 2.07893 69.6378      3.14155  66.9738      3.95798  62.6839     218.086     47.0769     38.0858     
1 1 1 3  1  7  o 150.66  1.82216 124.221      4.22744  123.005      4.22734  82.3343     153.677     96.6981     333.677     
1 1 1 3  1  8  o 259.384 1.83368 354.994      7.31675  378.008      7.32638  219.327     306.006     33.4484     126.006     
1 1 1 3  1  9  o 41.2946 2.06634 8.24076      1.29744  10.4979      1.29797  78.8932     239.775     197.248     239.775     
1 1 1 3  1  10 o 125.967 1.92164 77.8561      3.8174   95.4502      3.58089  98.993      315.622     24.1095     315.622     
1 1 1 3  1  11 o 233.098 1.82777 298.03       6.56191  293.876      6.55929  229.151     53.4595     43.0724     53.4595     
1 1 1 3  1  12 o 226.01  1.83699 276.038      6.39335  280.404      6.39288  243.611     349.623     91.12       349.623     
1 1 1 3  1  13 o 201.782 1.97312 230.978      6.56519  212.739      5.69369  202.129     65.5444     55.7148     65.5444     
1 1 1 3  1  14 o 200.639 1.98804 223.026      6.56668  215.492      5.70088  106.85      339.718     144.947     159.718     
1 1 1 3  1  15 o 579.918 1.90859 1851.35      17.0513  1811.62      17.0351  569.934     315.785     63.2353     315.785     
1 1 1 3  1  16 o 319.002 1.85533 566.326      9.11832  542.093      9.10647  267.582     141.708     48.6816     321.708     
1 1 1 3  1  17 o 271.236 1.85383 417.424      7.74811  384.149      7.72859  265.211     316.825     40.617      316.825     
1 1 1 3  1  18 o 101.358 2.14542 58.5049      3.19964  53.5459      3.46754  44.324      189.825     63.6311     9.82529     
1 1 1 3  1  19 o 297.652 2.07011 479.706      9.13216  485.265      9.83537  320.99      151.697     103.428     151.697     
1 1 1 3  1  20 o 370.827 2.16746 737.876      12.3702  760.014      12.3818  321.75      173.166     35.6133     353.166     
1 1 1 3  1  21 o 158.715 2.3327  134.585      5.95241  139.84       5.42617  97.731      274.783     73.249      94.7834     
1 1 1 3  1  22 o 69.741  2.67061 24.4476      2.94237  28.789       2.73584  2.32059     182.603     22.3769     182.603     
1 1 1 3  1  23 o 220.056 2.18971 260.813      7.4157   266.73       7.4239   141.245     143.878     105.609     323.878     
1 1 1 3  1  24 o 113.628 2.15165 69.4681      3.46164  71.2594      4.04758  72.0763     133.325     1.79372     133.325     
1 1 1 3  1  25 f 91.5878 2.18445 46.5366      3.06884  44.9731      3.08307  60.2028     273.028     0           0           
1 1 1 3  1  26 o 196.603 1.903   206.105      5.75872  215.075      5.76196  202.765     173.577     59.0683     173.577     
1 1 1 3  1  27 o 86.778  2.05556 41.769       2.74373  40.3939      2.74158  37.5497     338.42      63.2957     158.42      
1 1 1 3  1  28 o 52.4056 2.37102 15.7942      1.90419  14.2902      1.89892  7.52951     226.527     85.718      226.527     
1 1 1 3  1  29 o 134.125 1.95084 103.425      4.02987  92.7962      4.02021  38.6538     346.586     161.884     166.586     
1 1 1 3  1  30 o 35.1783 2.98371 5.72469      1.55961  8.08207      1.56446  2.13264     283.837     10.1605     283.837     
1 1 1 3  1  31 o 118.155 1.98196 76.763       3.60432  75.4454      3.60762  81.5962     334.768     41.1959     154.768     
1 1 1 3  1  32 o 50.2478 2.46606 13.822       1.89157  13.8609      1.90104  9.7871      106.66      40.2369     286.66      
1 1 1 3  1  33 o 190.514 1.9339  198.64       5.67309  197.127      5.67381  185.421     159.022     30.6282     159.022     
1 1 1 3  1  34 o 145.174 1.97411 114.761      4.41079  115.085      4.41556  156.789     239.245     58.2865     239.245     
1 1 1 3  1  35 o 106.26  2.08183 64.3955      3.39936  58.9297      3.40183  72.1986     290.469     40.9059     110.469     
1 1 1 3  1  36 o 78.7123 2.25133 35.8408      2.72918  31.948       2.71122  62.9344     170.245     3.40803     350.245     
1 1 1 3  1  37 o 64.1745 2.44694 24.5201      2.3963   20.677       2.40719  45.5119     46.9221     11.4052     226.922     
1 1 1 3  1  38 o 46.0383 2.90331 11.8649      2.0504   11.519       2.02294  18.5607     277.045     34.4502     97.045      
1 1 1 3  1  39 o 81.4116 2.37243 37.7837      2.96614  34.8444      2.96572  46.4199     135.711     48.4571     315.711     
1 1 1 3  1  40 o 171.43  2.4791  156.601      6.53502  165.281      6.55062  136.913     285.623     31.0164     105.623     
1 1 1 3  1  41 o 111.758 2.39402 67.5638      4.10441  69.4487      4.12577  102.997     148.053     10.7471     148.053     
1 1 1 3  1  42 o 63.5551 2.82634 22.4468      2.74281  22.1847      2.7611   44.4808     307.502     18.6999     127.502     
1 1 1 3  1  43 o 25.9811 4.95922 4.80649      2.00034  3.05961      2.13271  8.79348     215.299     10.5027     35.2994     
1 1 1 3  1  44 o 78.8641 2.6246  32.5322      2.7297   36.3506      3.60523  64.1228     82.3629     9.31871     262.363     
1 1 1 3  1  45 o 27.8852 4.33662 3.57607      1.79988  5.65643      1.84474  18.8216     176.617     2.63728     356.617     
1 1 1 3  1  46 o 51.3345 2.71176 14.042       2.13156  15.4059      2.12017  39.1373     6.13139     9.23196     186.131     
1 1 1 3  1  47 o 45.383  2.90306 11.8453      1.99926  11.3574      2.01329  44.1793     110.053     13.1294     110.053     
1 1 1 3  1  48 o 32.1765 3.72043 6.03067      1.78579  6.04394      1.77368  19.0545     269.064     14.4014     89.0644     
1 1 1 3  1  49 o 30.1839 4.0005  5.29217      1.78089  5.53724      1.80132  30.8225     315.873     16.0542     315.873     
1 1 1 3  1  50 f 43.6184 3.10206 10.2196      2.04318  11.6316      2.06027  35.2025     244.12      0           0           
1 1 1 3  1  51 o 72.11   2.54398 29.7101      2.69327  28.9847      2.92914  66.7852     55.6568     9.72679     55.6568     
1 1 1 3  1  52 o 31.5815 4.2546  4.22267      2.03414  8.26152      1.89615  26.8296     16.0247     4.13831     16.0247     
1 1 1 3  1  53 o 34.1954 3.7903  7.41452      1.94492  6.74403      1.9136   26.2377     130.865     2.98332     310.865     
1 1 1 3  1  54 o 16.6377 4.58123 1.79773      1.70369  0.975015     1.70442  4.73842     170.669     12.5736     350.669     
1 1 1 3  1  55 o 30.9945 4.38309 6.09383      2.0632   6.4105       1.97288  33.0438     198.242     18.3884     198.242     
1 1 1 3  1  56 o 21.173  5.03437 3.12438      1.92428  3.09732      1.95523  15.0269     274.91      0.784797    94.9099     
1 1 1 3  1  57 o 31.2866 5.00927 6.76649      2.40081  7.0839       2.31442  22.5115     51.7047     5.25726     231.705     
1 1 1 3  1  58 o 15.6577 4.81198 -0.913425    2.45681  1.90759      2.13243  5.29185     228.525     11.9883     48.5255     
1 1 1 3  1  59 o 19.6065 5.40597 0.56162      2.83559  4.4505       2.42358  13.562      27.3835     1.05254     207.384     
1 1 1 3  1  60 o 12.1274 4.0129  -0.339854    1.79718  -1.28812     1.97498  3.06258     148.085     3.13845     328.085     
1 1 1 3  1  61 o 17.3912 4.86641 0.735812     2.19337  3.20288      1.95542  9.96412     84.0553     3.66247     264.055     
1 1 1 3  1  62 o 21.5621 5.13263 4.86566      2.07443  2.8003       2.1121   13.8976     264.672     0.773143    264.672     
1 1 1 3  1  63 o 35.5976 4.64963 10.6727      2.394    8.52447      2.48749  36.0318     346.258     17.4663     346.258     
1 1 1 3  1  64 o 15.0234 4.6518  1.29744      2.05962  1.58356      2.0473   6.57301     187.88      1.17148     187.88      
1 1 1 3  2  0  o 498.535 1.98974 1353.42      15.274   1353.42      15.274   476.35      90          14.7727     90          
1 1 1 3  2  1  o 555.666 2.02649 1679.26      16.0555  1683.68      18.5386  652.685     354.848     269.365     354.848     
1 1 1 3  2  2  o 565.245 2.02161 1687.34      16.3086  1793.34      18.8572  542.762     24.1923     29.2374     24.1923     
1 1 1 3  2  3  f 398.5   1.84217 892.431      11.3061  837.539      11.2944  338.226     77.5594     0           0           
1 1 1 3  2  4  o 630.713 1.96718 2180.07      19.7427  2152.64      18.4548  681.887     175.261     185.106     175.261     
1 1 1 3  2  5  o 491.16  1.86193 1314.37      14.0821  1313.08      14.0827  479.07      144.034     43.2787     144.035     
1 1 1 3  2  6  o 643.822 1.91054 2294.41      18.9476  2220.65      18.9316  615.132     155.692     26.6552     155.692     
1 1 1 3  2  7  o 179.639 1.90638 198.623      5.06124  154.269      5.37828  105.291     65.2427     108.673     245.243     
1 1 1 3  2  8  o 50.6984 2.27673 12.7988      1.45729  15.3744      2.07011  32.0131     317.519     101.719     317.519     
1 1 1 3  2  9  o 111.892 2.07635 68.5377      3.12692  67.9175      3.96931  72.0887     267.195     4.06484     87.1952     
1 1 1 3  2  10 o 141.256 1.84312 108.241      4.00898  109.121      4.00922  112.731     265.95      1.39932     85.9494     
1 1 1 3  2  11 o 172.746 1.83464 159.38       4.87651  165.723      4.88282  117.713     1.37393     65.5941     181.374     
1 1 1 3  2  12 o 191.732 1.84458 192.3        5.43996  208.303      5.44584  108.878     336.458     123.351     156.458     
1 1 1 3  2  13 o 20.1027 2.87956 2.6604       0.860284 1.92305      0.860829 32.0459     79.9384     67.0659     79.9384     
1 1 1 3  2  14 o 338.135 1.85383 650.358      9.65943  595.547      9.63314  359.887     150.96      103.48      150.96      
1 1 1 3  2  15 o 194.142 1.84861 201.156      5.52371  209.384      5.52782  129.367     355.964     85.2774     175.964     
1 1 1 3  2  16 o 47.0976 2.14257 12.7251      1.5485   11.5488      1.54028  48.7092     209.359     138.053     209.359     
1 1 1 3  2  17 o 283.732 2.00776 426.868      9.3406   450.069      8.12482  282.652     341.127     51.8433     341.127     
1 1 1 3  2  18 o 430.212 2.08923 1006.24      14.3551  1009.6       13.3046  304.58      101.508     185.489     281.508     
1 1 1 3  2  19 o 63.5569 2.62111 22.4487      2.69589  21.7078      2.4084   25.8657     287.06      128.228     287.06      
1 1 1 3  2  20 o 509.219 2.19762 1448.83      17.2504  1376.06      17.207   560.32      224.146     184.431     224.146     
1 1 1 3  2  21 o 165.585 2.19233 153.056      5.59099  145.648      5.58666  153.898     88.4008     43.6661     88.4008     
1 1 1 3  2  22 o 330.752 2.39594 587.304      12.1931  604.531      12.2113  344.328     1.99594     94.7633     1.99595     
1 1 1 3  2  23 o 132.784 2.48353 88.5364      5.05659  103.952      5.07036  75.1679     32.031      57.3062     212.031     
1 1 1 3  2  24 o 234.837 2.02359 304.239      7.32412  296.583      7.31074  251.547     294.282     93.2501     294.282     
1 1 1 3  2  25 o 244.878 2.02758 323.187      7.63875  330.166      7.65217  199.842     102.865     40.105      282.865     
1 1 1 3  2  26 o 163.605 2.04875 141.34       5.15037  150.397      5.16947  187.292     107.541     99.7242     107.541     
1 1 1 3  2  27 o 227.203 1.89839 280.434      6.64329  282.069      6.64033  206.509     167.124     4.36952     167.124     
1 1 1 3  2  28 o 106.928 2.05691 62.3237      3.2622   62.3903      3.50107  64.3149     201.269     53.5166     21.2694     
1 1 1 3  2  29 o 276.749 1.89704 421.309      8.08948  413.472      8.07901  295.5       159.621     90.0291     159.621     
1 1 1 3  2  30 o 125.604 1.96941 87.6444      3.81427  84.3526      3.80321  114.14      97.8329     12.5032     97.8329     
1 1 1 3  2  31 o 107.019 2.00716 59.4579      3.29747  65.5768      3.30658  108.15      56.8727     44.481      56.8727     
1 1 1 3  2  32 o 195.951 1.99086 211.541      6.19797  207.152      5.81395  171.079     351.84      8.29452     171.84      
1 1 1 3  2  33 f 241.631 1.91583 315.369      7.12701  321.275      7.12959  169.862     288.852     0           0           
1 1 1 3  2  34 o 88.4447 2.12697 43.1623      2.89004  42.2708      2.8949   47.322      251.851     57.8443     71.851      
1 1 1 3  2  35 o 94.6093 2.14167 54.6075      3.1107   43.4637      3.09267  87.832      210.868     16.2677     210.868     
1 1 1 3  2  36 o 92.2907 2.15509 46.5067      3.05425  46.5453      3.06285  61.1677     351.231     35.8919     171.231     
1 1 1 3  2  37 o 26.5393 4.22402 5.10473      1.69636  2.99391      1.70546  29.368      64.1911     93.4733     64.1911     
1 1 1 3  2  38 o 87.5013 2.21774 42.6039      2.98132  41.1434      2.98472  95.1461     184.431     43.1797     184.431     
1 1 1 3  2  39 o 106.077 2.24412 59.9605      3.65385  63.1721      3.66775  89.9191     225.98      5.7826      45.9797     
1 1 1 3  2  40 o 135.316 2.25818 103.774      4.88982  96.6352      4.5224   123.65      247.163     8.84814     247.163     
1 1 1 3  2  41 o 80.6682 2.59407 37.1715      3.20719  34.4085      3.2165   60.2195     196.354     18.2407     16.3541     
1 1 1 3  2  42 o 50.6355 3.20205 15.3662      2.47615  13.2083      2.45391  23.1251     265.63      38.1834     85.6304     
1 1 1 3  2  43 f 93.6397 2.64893 50.24        4.0138   46.5774      3.61035  97.9323     217.619     0           0           
1 1 1 3  2  44 o 70.6488 2.62886 27.2802      2.94338  28.0021      2.74968  75.2681     268.942     29.0249     268.942     
1 1 1 3  2  45 o 36.2674 3.65047 8.24363      1.96674  6.84034      1.97808  28.9023     201.49      0.410064    21.4898     
1 1 1 3  2  46 o 83.9365 2.43881 40.8193      3.12724  37.3461      3.15733  71.3885     202.012     3.48732     22.0121     
1 1 1 3  2  47 o 52.3556 2.70223 16.5885      2.17135  14.155       2.14627  37.8202     229.427     13.8238     49.4271     
1 1 1 3  2  48 o 57.3644 2.60595 20.0168      2.29568  16.8743      2.272    69.0888     18.0567     41.9814     18.0567     
1 1 1 3  2  49 o 18.0698 4.43734 2.63635      1.59238  0.707733     1.58852  2.50542     163.691     22.3235     343.691     
1 1 1 3  2  50 o 42.6296 3.1301  10.2752      2.0322   10.6165      2.01662  41.1753     110.568     11.0349     110.568     
1 1 1 3  2  51 o 22.6807 4.68135 3.27146      1.74601  3.17156      1.72653  15.8351     200.935     3.50172     200.935     
1 1 1 3  2  52 o 20.4635 4.62674 1.40968      1.72968  3.59221      1.73601  11.4484     112.947     2.57866     292.947     
1 1 1 3  2  53 o 35.2682 3.77968 7.81659      1.98275  7.23896      1.99095  17.8596     359.988     22.6754     179.988     
1 1 1 3  2  54 o 21.9331 4.38829 5.17862      1.79766  0.776201     1.79954  15.8575     1.24893     1.56087     1.24893     
1 1 1 3  2  55 o 46.8646 3.39595 15.6197      2.36015  11.1048      2.38771  40.1557     352.034     1.54201     352.034     
1 1 1 3  2  56 o 17.6207 4.81311 3.38289      2.1374   -0.249299    1.89017  10.525      336.871     1.38869     156.871     
1 1 1 3  2  57 o 23.7111 5.28626 2.25029      2.56472  5.8452       2.22362  19.3011     72.1028     4.71886     72.1028     
1 1 1 3  2  58 o 12.727  4.1842  -0.878521    2.16464  -0.543793    1.79935  4.73161     210.057     4.70424     30.057      
1 1 1 3  2  59 o 17.6512 5.12538 2.04796      2.24359  2.05789      2.22076  11.951      300.963     1.16251     300.963     
1 1 1 3  2  60 f 13.2946 4.27511 0.646351     1.84641  -1.01812     2.08465  5.90384     270.598     0           0           
1 1 1 3  2  61 o 12.7005 4.19598 -2.19867     2.02557  0.603035     2.12085  3.2761      143.589     2.69062     323.589     
1 1 1 3  2  62 o 14.6163 4.59619 0.347055     2.01976  1.16919      2.14146  1.85887     9.60538     11.9434     189.605     
1 1 1 3  2  63 o 14.7247 4.56016 0.540498     2.01859  1.61515      1.96805  3.61472     309.808     9.45301     129.808     
1 1 1 3  2  64 o 17.7801 4.82407 4.60341      2.11445  0.253766     2.10128  9.97431     142.263     5.2492      142.263     
1 1 1 3  3  0  o 211.196 1.93929 242.992      6.30453  242.992      6.30453  128.559     90          139.768     270         
1 1 1 3  3  1  o 483.809 1.85797 1276.2       13.8429  1273.14      13.8412  410.216     136.719     81.2593     316.719     
1 1 1 3  3  2  o 164.277 1.86336 165.108      4.8716   129.874      4.53904  90.9187     61.3754     107.718     241.375     
1 1 1 3  3  3  o 184.756 1.98887 167.863      5.97967  204.848      5.18924  118.557     322.113     91.946      142.113     
1 1 1 3  3  4  o 98.3624 1.94677 41.387       2.95455  65.4224      2.78032  47.315      90.8328     36.9055     270.833     
1 1 1 3  3  5  o 380.54  1.84182 786.758      10.7931  790.496      10.7926  366.854     178.74      30.3733     178.74      
1 1 1 3  3  6  o 183.767 1.81944 177.872      5.14315  190.056      5.15018  181.331     205.529     47.5459     205.529     
1 1 1 3  3  7  o 27.0575 2.26196 3.29218      0.906492 4.87532      0.90886  29.0605     96.4357     63.9195     96.4357     
1 1 1 3  3  8  o 418.693 1.85546 938.596      11.9568  971.176      11.9667  364.104     264.545     47.597      84.5453     
1 1 1 3  3  9  o 68.86   1.90567 21.2037      1.98169  30.9956      2.00005  13.6674     49.2768     102.904     49.2767     
1 1 1 3  3  10 o 121.388 1.83103 85.8356      3.41991  74.8665      3.41376  14.1704     302.15      176.87      122.15      
1 1 1 3  3  11 o 132.172 1.96219 84.7372      3.71406  106.176      4.2789   79.6076     246.173     55.504      66.1734     
1 1 1 3  3  12 o 219.582 2.10092 266.348      6.22942  258.932      7.86014  180.082     86.5657     30.5931     266.566     
1 1 1 3  3  13 o 276.243 2.11451 421.438      7.87401  409.837      9.96315  262.646     12.4498     26.6927     12.4498     
1 1 1 3  3  14 o 247.162 1.9111  337.795      7.02364  327.594      7.50701  258.768     154.682     78.5124     154.682     
1 1 1 3  3  15 o 340.09  1.91991 642.233      10.4011  617.571      9.70678  299.957     55.4612     22.9588     235.461     
1 1 1 3  3  16 o 168.612 1.86597 144.121      4.8283   165.888      4.84464  92.7188     215.607     110.362     35.6066     
1 1 1 3  3  17 o 326.246 1.98944 599.002      10.0022  560.54       9.97944  253.235     86.5428     91.1299     266.543     
1 1 1 3  3  18 o 146.59  2.18129 117.662      4.9259   116.39       4.92176  147.948     101.4       76.862      101.4       
1 1 1 3  3  19 o 193.048 2.01203 200.172      5.97711  205.751      5.98462  216.929     344.073     112.714     344.073     
1 1 1 3  3  20 o 349.208 2.08693 655.616      10.8015  672.684      11.6369  281.345     5.91257     74.1464     185.913     
1 1 1 3  3  21 o 135.111 2.44294 95.6689      5.07156  103.342      5.08388  73.9514     119.809     67.6841     299.809     
1 1 1 3  3  22 o 252.595 2.20108 357.074      9.26414  338.105      7.83317  274.092     144.284     111.958     144.284     
1 1 1 3  3  23 f 354.094 2.20947 678.346      12.9834  687.65       11.0172  305.726     284.412     0           0           
1 1 1 3  3  24 o 132.218 2.24689 100.823      4.5779   89.8715      4.5573   115.675     243.68      44.7002     243.68      
1 1 1 3  3  25 o 218.567 1.96032 263.328      6.37309  257.17       6.80952  225.057     194.651     63.8821     194.651     
1 1 1 3  3  26 o 141.984 2.0764  105.436      4.52753  114.339      4.54733  128.226     63.8922     14.5079     63.8922     
1 1 1 3  3  27 f 222.496 2.03322 263.452      6.95775  276.143      6.9721   257.474     102.055     0           0           
1 1 1 3  3  28 o 218.297 1.9001  258.955      6.38152  260.395      6.393    211.014     56.6392     29.7989     56.6391     
1 1 1 3  3  29 f 226.166 1.9021  286.761      6.63013  270.871      6.61513  203.314     245.475     0           0           
1 1 1 3  3  30 o 53.8531 2.4209  17.9599      1.98942  13.9315      1.9803   16.2418     60.5051     23.1023     240.505     
1 1 1 3  3  31 o 114.52  1.99126 70.9186      3.51695  72.0775      3.5059   118.646     54.3951     49.9567     54.3951     
1 1 1 3  3  32 o 77.7453 2.16856 32.7515      2.59641  33.2782      2.58555  24.5963     263.818     80.3708     83.8182     
1 1 1 3  3  33 o 166.677 1.94961 154.937      5.01092  148.05       4.99538  161.261     283.29      26.6896     283.29      
1 1 1 3  3  34 o 124.909 2.01405 88.5009      3.87735  81.7372      3.86636  142.417     228.424     70.0561     228.424     
1 1 1 3  3  35 o 115.107 2.11474 71.0871      3.62853  73.5722      3.86148  81.8462     206.877     37.7489     26.8773     
1 1 1 3  3  36 o 142.822 2.01086 117.719      4.43849  105.015      4.3979   134.891     142.456     18.6693     142.456     
1 1 1 3  3  37 o 214.41  1.95677 250.244      6.45644  251.396      6.46481  230.837     266.254     79.1278     266.254     
1 1 1 3  3  38 o 68.9364 2.56871 25.0391      2.71738  27.0986      2.71343  55.2131     14.297      5.15227     194.297     
1 1 1 3  3  39 o 84.6762 2.48162 40.1208      3.12798  38.4831      3.32135  66.6349     103.672     12.5346     283.672     
1 1 1 3  3  40 o 38.8433 3.34666 7.56242      1.88193  9.33287      2.03409  19.5819     200.364     0.402937    20.3637     
1 1 1 3  3  41 o 59.0094 3.74901 13.1253      3.3554   26.9149      2.72397  42.083      56.7108     13.2977     236.711     
1 1 1 3  3  42 o 84.7305 2.65342 39.7685      3.28477  39.3581      3.61202  81.3144     307.732     16.7671     307.732     
1 1 1 3  3  43 o 56.4794 2.71768 16.4833      2.33042  18.9085      2.36168  54.3285     64.1741     14.7057     64.1741     
1 1 1 3  3  44 o 71.4642 2.86782 27.7257      3.28235  29.0556      2.98686  64.5165     252.207     5.13857     252.207     
1 1 1 3  3  45 o 15.0444 4.30797 0.0494245    1.52133  1.10818      1.62116  0.528455    95.026      11.7566     95.026      
1 1 1 3  3  46 o 18.2893 4.77048 2.14405      1.86353  1.0654       1.71631  3.61314     318.438     3.62024     138.438     
1 1 1 3  3  47 o 30.3521 4.06445 4.98534      1.88411  5.8903       1.76655  24.029      230.094     1.87738     230.094     
1 1 1 3  3  48 o 47.471  2.95774 11.7045      2.08507  13.8183      2.19038  39.2917     44.2966     1.82826     224.297     
1 1 1 3  3  49 o 19.8752 4.59509 1.70473      1.63595  2.86104      1.65413  11.4692     248.829     5.67377     68.8287     
1 1 1 3  3  50 o 90.5607 2.27014 49.1365      3.17198  42.6046      3.13911  84.7489     5.41234     12.7523     5.41234     
1 1 1 3  3  51 o 27.4839 4.20381 7.24396      1.80394  2.3394       1.80724  20.2135     194.772     1.89494     14.772      
1 1 1 3  3  52 o 40.3605 3.3442  9.47832      2.02971  9.60411      2.04845  38.9528     56.2665     12.1381     56.2665     
1 1 1 3  3  53 o 22.3906 4.50106 4.93827      1.80446  1.33394      1.78537  10.9112     258.552     11.7077     78.5524     
1 1 1 3  3  54 f 19.0857 4.85002 1.56096      1.846    2.88638      1.85461  13.7701     8.38154     0           0           
1 1 1 3  3  55 o 58.8651 3.23283 23.4516      2.89455  18.2218      2.87721  62.8426     180.063     26.3878     180.063     
1 1 1 3  3  56 o 30.8178 4.71011 5.90259      2.17439  7.01086      2.16906  31.3031     76.4389     14.9219     76.4389     
1 1 1 3  3  57 o 21.8261 5.04459 1.04861      2.35483  5.34023      2.14011  11.4363     329.711     10.3869     149.711     
1 1 1 3  3  58 o 17.4206 5.10231 1.73726      2.09951  1.91198      2.3771   11.2819     159.599     1.74496     339.599     
1 1 1 3  3  59 o 20.3048 5.20722 3.88718      2.05046  2.40061      2.2885   15.8854     4.41741     8.53831     4.41741     
1 1 1 3  3  60 o 18.0234 5.15103 3.9505       2.31427  -0.523407    2.75334  8.62094     118.822     8.77247     298.822     
1 1 1 3  3  61 o 16.0957 4.79737 0.185411     1.98409  2.76982      2.20095  7.87066     344.886     0.373801    164.886     
1 1 1 3  3  62 o 26.0947 5.32726 5.33657      2.38551  6.03554      2.17393  20.1865     195.649     10.7187     195.649     
1 1 1 3  3  63 o 25.1035 5.34552 7.85563      2.49327  3.70424      2.23668  21.555      30.5611     9.44466     30.5611     
1 1 1 3  3  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  4  0  f 249.277 1.81619 338.46       6.96997  338.46       6.96997  385.417     270         0           0           
1 1 1 3  4  1  o 223.232 1.8141  282.789      6.23572  260.208      6.22851  199.561     282.611     0.457072    102.611     
1 1 1 3  4  2  o 151.585 1.81249 126.176      4.23127  124.098      4.23008  151.12      133.949     73.1834     133.949     
1 1 1 3  4  3  f 148.251 1.88078 119.657      4.43562  119.735      4.14671  208.854     130.907     0           0           
1 1 1 3  4  4  o 196.41  1.81836 215.766      5.50025  204.494      5.49615  102.303     243.869     148.163     63.8686     
1 1 1 3  4  5  o 166.434 1.893   143.575      4.99971  158.338      4.67324  167.907     103.549     63.8763     103.549     
1 1 1 3  4  6  o 215.313 1.88791 244.86       6.4538   260.265      6.04148  178.31      225.975     27.5815     45.9751     
1 1 1 3  4  7  o 332.797 2.10527 586.416      11.9213  620.464      9.43603  383.776     73.5229     162.02      73.5229     
1 1 1 3  4  8  o 50.6677 2.14348 18.111       1.63748  10.4827      1.60402  37.5373     147.334     114.731     147.334     
1 1 1 3  4  9  o 37.2466 2.19476 9.97591      1.20824  5.56946      1.20054  51.4343     313.676     123.682     313.676     
1 1 1 3  4  10 o 224.846 1.90124 288          6.34964  263.01       6.77933  229.903     304.19      64.6849     304.19      
1 1 1 3  4  11 o 256.603 1.84126 351.864      7.27156  365.421      7.27774  220.929     90.5086     20.4239     270.509     
1 1 1 3  4  12 o 271.625 1.84056 382.886      7.68398  421.178      7.70088  299.089     142.453     113.711     142.453     
1 1 1 3  4  13 o 437.647 1.86859 1050.43      12.5967  1035.68      12.5888  384.156     256.289     39.1844     76.2885     
1 1 1 3  4  14 o 675.807 2.00875 2434.01      21.5498  2540.84      20.2011  662.754     124.028     71.412      124.028     
1 1 1 3  4  15 o 62.4835 2.08267 22.8797      1.93421  19.7932      2.04436  8.61146     128.589     62.6307     128.589     
1 1 1 3  4  16 o 195.478 2.12732 209.943      5.6222   206.251      7.08735  157.963     252.214     28.455      72.2138     
1 1 1 3  4  17 o 582.447 2.47189 1833.41      19.8408  1861.94      24.3077  633.346     253.569     190.883     253.569     
1 1 1 3  4  18 o 458.338 2.17875 1150.07      15.382   1138.08      15.3725  370.292     311.571     103.636     131.571     
1 1 1 3  4  19 o 328.506 1.87595 583.734      9.48814  591.633      9.49107  315.094     266.534     34.6348     266.534     
1 1 1 3  4  20 o 98.4326 2.32386 52.5166      3.51522  53.1453      3.51962  31.6927     357.007     64.3129     177.007     
1 1 1 3  4  21 o 442.018 2.18613 1084.34      14.8927  1044.14      14.864   375.959     212.325     55.54       32.3245     
1 1 1 3  4  22 o 213.087 2.0184  243.156      6.61511  251.494      6.62967  73.1792     250.743     232.205     70.7428     
1 1 1 3  4  23 o 242.708 1.88952 318.356      7.06337  323.349      7.06022  268.693     344.828     115.099     344.828     
1 1 1 3  4  24 o 281.641 2.17987 438.865      9.45476  425.481      9.4516   299.309     248.573     94.4348     248.573     
1 1 1 3  4  25 o 329.35  2.29599 589.128      12.158   593.031      11.1032  392.079     209.185     188.986     209.185     
1 1 1 3  4  26 o 320.429 2.04514 545.594      10.744   573.496      9.35062  327.313     114.031     73.2763     114.031     
1 1 1 3  4  27 o 177.017 2.12891 171.264      6.00562  170.289      5.5944   156.142     247.657     1.73127     67.6567     
1 1 1 3  4  28 o 331.489 2.03542 604.936      10.3938  592.882      10.3854  335.848     265.919     69.3459     265.919     
1 1 1 3  4  29 o 112.721 1.99112 71.467       3.45256  67.12        3.45407  125.976     142.51      86.5708     142.51      
1 1 1 3  4  30 o 97.035  2.03996 50.7232      3.04482  52.033       3.04437  94.631      255.792     41.9775     255.792     
1 1 1 3  4  31 o 136.637 2.03516 100.69       4.42629  102.896      4.12911  94.2198     223.496     51.2137     43.4956     
1 1 1 3  4  32 o 117.486 2.00005 76.2882      3.62488  74.2391      3.61161  81.491      261.176     41.4292     81.1757     
1 1 1 3  4  33 o 111.574 2.11599 66.2839      3.76294  69.6252      3.4877   112.219     177.825     33.7049     177.825     
1 1 1 3  4  34 o 182.52  1.9549  186.317      5.49968  177.054      5.48682  193.493     331.982     62.5841     331.982     
1 1 1 3  4  35 o 201.013 1.94906 226.577      6.04312  214.24       6.0201   187.618     191.275     16.4595     191.275     
1 1 1 3  4  36 o 154.278 1.99482 125.725      4.72418  134.04       4.75122  163.393     306.437     55.4372     306.437     
1 1 1 3  4  37 o 118.647 2.20593 72.002       4.00348  81.9392      4.04262  117.924     26.9209     29.0269     26.9209     
1 1 1 3  4  38 o 118.509 2.37585 78.7394      4.33665  74.9436      4.32428  107.808     320.819     7.45231     320.819     
1 1 1 3  4  39 o 63.9283 2.64868 24.3446      2.59107  20.6519      2.58716  48.9368     178.878     7.71619     358.878     
1 1 1 3  4  40 o 142.29  2.17751 103.287      4.7422   118.532      4.78594  132.009     336.92      13.5038     336.92      
1 1 1 3  4  41 o 124.536 2.32815 81.7769      4.62541  88.3822      4.27252  112.507     163.822     6.45911     163.822     
1 1 1 3  4  42 o 84.0471 2.43162 39.6958      3.24219  38.0616      3.03856  97.8191     128.479     53.043      128.479     
1 1 1 3  4  43 o 54.1776 2.63889 17.5203      2.2359   15.0568      2.13686  53.4343     40.0909     17.1037     40.0909     
1 1 1 3  4  44 o 35.023  3.78655 6.65599      2.03746  7.42537      1.90106  31.2963     177.011     9.0687      177.011     
1 1 1 3  4  45 o 29.2765 4.44117 3.68381      1.93627  6.58215      1.97755  22.4322     319.594     10.8557     319.594     
1 1 1 3  4  46 o 13.029  3.99821 0.157556     1.40493  -0.443964    1.59045  3.85012     128.492     18.7491     128.492     
1 1 1 3  4  47 o 24.2174 4.71327 4.06637      1.82785  3.01209      1.82358  11.0649     21.4662     13.8023     201.466     
1 1 1 3  4  48 o 46.2345 2.93058 11.6242      2.06858  12.5744      2.05657  39.7827     74.7167     1.44544     74.7166     
1 1 1 3  4  49 o 50.124  2.95197 14.0617      2.17334  14.4888      2.34092  54.1164     213.1       23.3921     213.1       
1 1 1 3  4  50 o 33.3159 3.763   6.55953      1.85627  6.62266      1.87494  31.1189     135.978     9.08272     135.978     
1 1 1 3  4  51 o 33.1846 3.86938 6.40747      1.91454  6.83116      1.90037  26.0698     358.042     1.24951     178.042     
1 1 1 3  4  52 o 24.7334 4.4437  2.31072      1.79859  5.42368      1.77061  13.2525     32.8267     11.1793     212.827     
1 1 1 3  4  53 o 17.2806 4.66273 1.35322      1.70449  1.81034      1.75092  6.73793     52.763      1.64141     232.763     
1 1 1 3  4  54 o 69.8243 2.71024 29.8507      2.90773  26.6461      2.89092  69.8523     267.74      21.1846     267.74      
1 1 1 3  4  55 o 18.3413 4.87749 2.49121      1.85964  1.61314      1.92105  12.2247     120.817     0.44652     300.817     
1 1 1 3  4  56 o 55.1124 3.3797  15.1864      2.71337  22.1551      2.90705  51.9053     189.387     11.4089     189.387     
1 1 1 3  4  57 o 14.4956 4.57379 -0.578502    1.97906  0.952847     2.19551  5.04501     211.08      0.985008    31.0798     
1 1 1 3  4  58 o 15.7979 4.70127 1.47952      1.91595  0.941951     1.98988  9.60028     121.029     1.49422     301.029     
1 1 1 3  4  59 o 13.045  4.15631 -1.70678     1.84695  1.07952      1.84497  3.64376     65.8823     0.761663    245.882     
1 1 1 3  4  60 o 15.7349 4.7334  2.68779      2.20059  -0.389985    1.99467  5.40142     253.59      1.72587     253.59      
1 1 1 3  4  61 o 20.1652 5.31631 4.65588      2.33467  2.16306      2.25691  8.9997      186.257     11.3708     6.25692     
1 1 1 3  4  62 o 30.8876 5.29917 6.53438      2.56985  9.10383      2.49127  26.0292     341.818     6.19369     341.818     
1 1 1 3  4  63 o 12.0983 4.06107 -0.768938    2.16113  -0.616582    1.9268   0.966815    103.363     1.791       283.363     
1 1 1 3  4  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  5  0  o 91.0327 1.96833 45.253       2.75337  45.253       2.75337  83.4191     270         336.001     270         
1 1 1 3  5  1  o 161.998 1.88023 145.254      4.52894  140.631      4.8407   122.161     226.301     32.7626     46.3007     
1 1 1 3  5  2  o 127.622 1.81867 94.6157      3.57177  82.9896      3.56537  90.5001     50.5501     17.8249     230.55      
1 1 1 3  5  3  o 383.948 1.83752 796.693      10.8669  809.154      10.8608  339.325     97.5577     29.4379     277.558     
1 1 1 3  5  4  o 277.798 1.82176 428.128      7.79503  412.59       7.78924  269.749     44.762      36.6838     44.762      
1 1 1 3  5  5  o 259.439 1.82041 360.993      7.27059  372.266      7.27348  155.498     247.191     161.825     67.1912     
1 1 1 3  5  6  o 69.5974 1.86731 27.3871      1.99857  25.4734      1.99478  0.702114    267.086     50.2291     267.086     
1 1 1 3  5  7  o 91.4083 1.83625 50.6077      2.57494  40.7527      2.56709  28.661      169.125     16.3508     349.125     
1 1 1 3  5  8  o 313.871 1.83575 549.066      8.87607  524.226      8.86593  298.504     219.917     25.4882     219.917     
1 1 1 3  5  9  o 352.277 1.90609 650.636      9.99377  701.675      10.6897  332.447     53.0142     20.1425     53.0143     
1 1 1 3  5  10 o 212.323 1.89676 247.844      6.4035   243.21       5.99627  213.232     249.356     57.8956     249.356     
1 1 1 3  5  11 o 222.583 1.99224 269.408      7.30342  270.228      6.31624  207.896     299.011     23.5344     299.011     
1 1 1 3  5  12 o 113.504 2.01642 74.4983      3.78981  65.9986      3.2582   64.6134     90.8174     36.7438     270.817     
1 1 1 3  5  13 o 672.872 1.9367  2488.53      20.0768  2442.64      20.0563  639.122     144.83      30.9624     144.83      
1 1 1 3  5  14 o 180.624 1.9148  180.181      5.14213  175.154      5.49773  107.224     73.8652     103.736     253.865     
1 1 1 3  5  15 o 330.19  1.85843 610.41       9.4563   577.201      9.43723  318.614     168.836     35.7757     168.836     
1 1 1 3  5  16 o 358.155 2.15479 710.536      11.8926  686.702      11.8733  367.401     278.047     81.2514     278.047     
1 1 1 3  5  17 o 237.415 2.15782 298.444      7.88246  315.612      7.89084  263.098     11.523      108.761     11.523      
1 1 1 3  5  18 o 65.3199 2.11921 21.9692      2.12063  24.6399      2.12613  11.5101     271.96      80.0357     271.96      
1 1 1 3  5  19 o 313.553 2.16897 536.914      10.476   533.986      10.4692  268.534     223.617     29.2848     43.6169     
1 1 1 3  5  20 o 175.485 2.30305 172.103      5.95149  163.418      6.46824  162.629     128.588     42.7398     128.588     
1 1 1 3  5  21 o 236.862 2.32621 289.092      7.25692  322.576      9.65441  194.124     60.7727     26.8032     240.773     
1 1 1 3  5  22 o 208.57  2.10349 236.44       6.48971  237.473      7.01303  187.41      132.401     14.5543     132.401     
1 1 1 3  5  23 o 176.254 1.97775 169.084      5.17904  169.356      5.55051  184.496     74.5569     77.5184     74.5569     
1 1 1 3  5  24 o 182.575 2.03147 184.431      5.72324  178.787      5.6989   122.743     15.4158     77.3418     195.416     
1 1 1 3  5  25 f 257.123 2.1863  363.385      8.66024  357.144      8.65226  294.494     21.7531     0           0           
1 1 1 3  5  26 o 147.329 2.13414 116.927      4.646    119.661      5.03368  106.463     337.085     45.0714     157.084     
1 1 1 3  5  27 o 64.9551 2.28898 25.343       2.37109  20.8797      2.19115  12.0644     228.011     75.0308     48.0109     
1 1 1 3  5  28 o 174.783 2.14323 159.848      5.94746  173.344      5.55998  139.527     21.3868     32.422      201.387     
1 1 1 3  5  29 o 56.9715 2.54773 17.4186      2.39283  18.1374      2.03015  8.20339     227.236     65.4958     47.2365     
1 1 1 3  5  30 o 264.754 2.05183 386.759      8.94175  377.575      7.75984  279.336     263.21      83.2232     263.21      
1 1 1 3  5  31 o 150.28  2.0174  118.099      4.79374  128.275      4.52215  163.135     301.319     65.9571     301.319     
1 1 1 3  5  32 o 106.688 2.05215 56.8143      3.35548  67.6105      3.36484  45.9381     283.665     94.4482     103.665     
1 1 1 3  5  33 o 113.025 2.03837 71.1925      3.54447  68.205       3.54652  89.5223     338.088     17.7925     158.088     
1 1 1 3  5  34 o 152.611 1.98102 126.973      4.65394  127.052      4.65704  126.655     107.945     16.8921     287.945     
1 1 1 3  5  35 o 41.8624 3.01181 8.79944      1.89742  10.6036      1.91845  10.354      104.174     28.7347     284.174     
1 1 1 3  5  36 o 101.834 2.13214 55.2044      3.33357  58.1046      3.34462  60.3025     157.919     56.7998     337.919     
1 1 1 3  5  37 o 109.703 2.40365 70.3339      4.05457  61.4674      4.04329  99.0239     163.349     6.76262     163.349     
1 1 1 3  5  38 o 108.388 2.26316 63.6801      3.77866  64.8548      3.76737  114.589     59.9606     41.4971     59.9606     
1 1 1 3  5  39 o 131.636 2.19614 92.3533      4.44413  97.2048      4.45733  115.17      252.606     0.999472    72.6056     
1 1 1 3  5  40 o 98.6154 2.52042 50.3758      3.79883  56.5026      3.83578  96.6034     314.865     23.36       314.865     
1 1 1 3  5  41 o 12.569  3.87741 -1.15431     1.38661  0.365355     1.51245  1.26407     269.093     3.17519     269.093     
1 1 1 3  5  42 o 39.1635 3.22589 6.84874      1.84008  10.5561      1.90927  15.9824     347.752     31.348      167.752     
1 1 1 3  5  43 o 29.2933 4.04164 3.72158      1.75613  6.35829      1.74438  18.9371     251.855     3.64469     71.8551     
1 1 1 3  5  44 o 49.2637 2.72681 12.9416      2.05832  14.1218      2.04162  57.5501     343.027     36.1263     343.027     
1 1 1 3  5  45 o 19.7379 4.82318 2.40928      1.79183  1.7811       1.78888  5.32543     147.351     2.74918     327.351     
1 1 1 3  5  46 o 36.887  3.76647 6.82844      2.00434  8.98977      2.13364  29.0648     185.789     1.62957     5.78905     
1 1 1 3  5  47 o 35.3148 3.66893 7.21839      1.85292  7.24171      2.01438  28.9408     123.136     1.0266      123.136     
1 1 1 3  5  48 o 15.3041 4.41529 1.29073      1.69499  -0.144908    1.67271  0.136754    42.9769     21.0684     42.9769     
1 1 1 3  5  49 o 45.1165 3.05274 11.9936      2.09155  11.2923      2.09647  43.3164     265.759     10.7135     265.759     
1 1 1 3  5  50 o 23.698  4.5921  3.90027      1.73493  3.11381      1.73004  17.4313     9.61374     2.18024     9.61373     
1 1 1 3  5  51 o 14.5567 4.29155 0.543984     1.60777  0.533199     1.58799  1.14546     10.8255     1.95416     190.826     
1 1 1 3  5  52 o 28.5314 4.37085 4.12238      1.87637  6.1454       1.86882  20.5829     187.385     3.0624      7.38457     
1 1 1 3  5  53 o 39.0161 3.99852 7.54972      2.26372  11.3743      2.31796  29.9753     174.619     4.35074     354.619     
1 1 1 3  5  54 o 46.5299 3.38286 13.7624      2.40012  12.3376      2.37278  48.5054     72.8658     19.8306     72.8658     
1 1 1 3  5  55 f 15.9576 4.66879 -0.62601     1.75534  2.46888      2.15932  12.0251     130.365     0           0           
1 1 1 3  5  56 o 18.3334 5.2288  1.39612      2.29095  2.56616      2.29946  10.4538     323.722     1.77542     143.722     
1 1 1 3  5  57 f 17.9528 5.00171 1.93635      1.88496  2.22785      2.18149  7.78977     91.3313     0           0           
1 1 1 3  5  58 o 23.0667 4.9685  5.13458      2.00051  2.89621      1.9883   21.472      293.255     9.57865     293.255     
1 1 1 3  5  59 o 20.9618 5.36517 3.39883      2.39717  3.7309       2.09486  12.104      61.4388     7.20764     241.439     
1 1 1 3  5  60 o 14.8907 4.62325 1.07791      2.13057  0.770025     1.94471  6.46152     341.222     0.275421    341.222     
1 1 1 3  5  61 o 16.1982 4.97637 0.821753     2.29662  2.16973      2.35767  6.28382     134.209     3.68564     314.209     
1 1 1 3  5  62 o 14.2605 4.53279 0.90376      2.00521  0.245762     2.18021  1.79799     248.208     2.4773      68.2079     
1 1 1 3  5  63 o 15.8449 4.80418 -0.0663987   2.22244  3.23434      2.22835  7.56463     71.129      2.55692     251.129     
1 1 1 3  5  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  6  0  o 87.6517 1.84042 41.9479      2.47913  41.9479      2.47913  44.3563     270         247.475     270         
1 1 1 3  6  1  o 237.165 1.81536 320.564      6.63006  292.489      6.61969  98.8461     240.25      233.09      60.2497     
1 1 1 3  6  2  o 172.598 1.80874 164.15       4.80784  160.378      4.80633  172.71      307.89      61.954      307.889     
1 1 1 3  6  3  o 292.664 1.82243 479.083      8.21737  454.13       8.20485  300.738     238.463     72.8879     238.463     
1 1 1 3  6  4  o 259.742 1.81603 372.655      7.26613  362.309      7.26016  207.122     207.5       55.0369     27.4998     
1 1 1 3  6  5  o 210.427 1.80074 222.931      5.8163   260.129      5.82864  212.798     49.776      60.5515     49.776      
1 1 1 3  6  6  f 175.981 1.85577 152.478      4.85263  185.692      5.19674  177.278     180.527     0           0           
1 1 1 3  6  7  o 280.045 1.82649 419.414      7.87253  434.912      7.87867  279.29      13.2041     54.9897     13.2041     
1 1 1 3  6  8  o 250.544 1.835   337.833      7.07784  345.92       7.08071  273.607     78.3638     105.635     78.3638     
1 1 1 3  6  9  o 245.933 1.83449 324.942      6.94397  333.855      6.94992  186.605     207.393     68.5173     27.3932     
1 1 1 3  6  10 o 110.232 1.84529 68.5742      3.13265  63.8119      3.12904  53.8647     93.1297     54.7235     273.13      
1 1 1 3  6  11 o 419.576 1.92753 970.086      12.0417  947.33       12.8422  378.706     234.658     13.4362     54.6582     
1 1 1 3  6  12 o 437.034 1.87015 1041.45      12.5868  1038.7       12.5849  419.895     16.6789     36.9125     16.6789     
1 1 1 3  6  13 o 355.337 1.85536 695.15       10.1536  680.017      10.1498  299.165     352.916     51.5558     172.916     
1 1 1 3  6  14 o 239.346 1.85536 318.02       6.84268  305.941      6.83211  155.925     269.288     119.662     89.2884     
1 1 1 3  6  15 o 465.285 2.38655 1178.94      17.0811  1179.17      17.1175  468.976     83.4932     83.4779     83.4932     
1 1 1 3  6  16 o 57.9503 2.63764 19.4651      2.46214  17.3013      2.22227  8.00683     347.004     44.9797     347.004     
1 1 1 3  6  17 o 316.329 1.86901 545.103      9.10588  544.723      9.10241  327.85      92.8531     86.2826     92.8531     
1 1 1 3  6  18 o 656.66  2.2498  2352.55      22.756   2344.44      22.7433  615.582     31.1418     23.6108     31.1419     
1 1 1 3  6  19 o 453.626 2.18871 1111.16      15.2864  1130.4       15.2907  530.482     22.5778     238.762     22.5778     
1 1 1 3  6  20 o 268.98  1.87646 406.428      7.7799   381.82       7.75964  187.449     9.07737     104.315     189.077     
1 1 1 3  6  21 o 402.618 1.8897  884.223      11.7171  881.543      11.7146  411.107     221.544     93.3958     221.544     
1 1 1 3  6  22 o 250.391 2.00953 352.883      7.75369  330.333      7.73698  240.424     87.5848     37.3955     87.5848     
1 1 1 3  6  23 o 416.666 2.02166 954.046      12.9778  937.551      12.9644  387.288     32.1562     15.8977     32.1561     
1 1 1 3  6  24 o 230.138 2.03117 281.062      6.6734   296.164      7.70906  223.593     14.7398     36.4754     14.7398     
1 1 1 3  6  25 o 82.6315 2.75993 34.0943      2.74587  40.6814      4.21021  48.4253     23.2286     24.6102     203.229     
1 1 1 3  6  26 o 150.373 2.47588 118.442      5.13721  128.232      6.30855  117.801     271.674     28.272      91.6742     
1 1 1 3  6  27 o 88.3483 2.17712 44.0527      2.95897  41.172       2.95338  79.6361     192.914     40.1042     192.914     
1 1 1 3  6  28 o 157.726 2.00603 138.71       4.69794  132.527      5.03135  163.965     274.454     53.0821     274.454     
1 1 1 3  6  29 o 110.156 2.14896 67.2369      3.64498  65.1944      3.63797  114.226     20.7094     52.3283     20.7094     
1 1 1 3  6  30 o 66.0547 2.33002 24.4601      2.44903  23.2654      2.27611  21.7894     352.74      58.0262     172.74      
1 1 1 3  6  31 o 197.792 1.92343 218.105      5.86791  208.52       5.84702  211.107     14.5946     71.2365     14.5946     
1 1 1 3  6  32 o 33.3811 3.28635 6.23702      1.63203  6.17965      1.6548   1.52437     120.49      25.442      120.49      
1 1 1 3  6  33 o 149.503 2.04406 118.265      4.85444  125.586      4.53916  119.992     236.324     24.4724     56.3237     
1 1 1 3  6  34 o 85.4968 2.36156 37.5602      3.28951  42.4284      2.86658  66.0795     271.596     10.7646     91.5962     
1 1 1 3  6  35 o 19.7277 4.51183 2.14563      1.58592  2.00942      1.54041  6.08694     86.6737     16.1856     86.6737     
1 1 1 3  6  36 o 148.542 2.30701 120.075      5.2754   120.925      5.27856  129.183     45.7836     3.9275      225.784     
1 1 1 3  6  37 o 80.8414 2.58253 36.7136      3.21705  34.9336      3.19514  53.4182     35.5272     32.4018     215.527     
1 1 1 3  6  38 o 13.5346 4.07712 -0.278762    1.49748  0.250406     1.50042  15.0295     155.281     36.055      155.281     
1 1 1 3  6  39 o 75.1089 2.71186 32.5145      3.12181  29.5675      3.12472  45.6965     319.691     36.5305     139.691     
1 1 1 3  6  40 o 109.033 2.26234 64.3339      3.80063  66.0415      3.78733  122.929     136.849     58.0494     136.849     
1 1 1 3  6  41 o 61.4809 2.4609  20.4932      2.31019  21.168       2.33025  31.6834     329.061     41.3491     149.061     
1 1 1 3  6  42 o 69.2561 2.35804 27.504       2.51557  25.3908      2.49677  54.0204     179.939     10.935      359.939     
1 1 1 3  6  43 o 57.226  2.65258 17.3417      2.3165   19.0332      2.32916  55.0561     342.945     13.0534     342.945     
1 1 1 3  6  44 o 27.6749 4.12989 4.94979      1.72446  4.05849      1.68689  14.0746     250.732     14.1564     70.732      
1 1 1 3  6  45 o 68.8716 2.48583 25.852       2.71021  26.8558      2.53753  65.4138     293.342     12.5681     293.342     
1 1 1 3  6  46 o 40.6126 3.74187 10.9884      2.24581  8.1504       2.2669   29.3644     234.501     8.56908     54.5006     
1 1 1 3  6  47 o 17.3882 4.47477 1.74913      1.52489  1.27748      1.59379  2.76113     178.831     0.799829    358.831     
1 1 1 3  6  48 o 43.1555 3.5879  10.9142      2.43414  10.6701      2.24019  39.2926     213.037     6.04077     213.037     
1 1 1 3  6  49 o 72.4445 2.56264 27.4196      2.9402   31.718       2.72439  76.8741     171.432     29.6962     171.432     
1 1 1 3  6  50 o 137.746 2.10372 105.548      4.45988  106.002      4.46471  143.786     113.978     49.7619     113.978     
1 1 1 3  6  51 o 48.7728 3.05045 13.0406      2.2108   14.4296      2.32388  28.7475     180.388     24.7953     0.38824     
1 1 1 3  6  52 o 37.2542 4.00638 8.39272      2.08174  8.57471      2.36067  33.5224     191.434     6.96092     191.434     
1 1 1 3  6  53 o 14.8281 4.42676 1.54847      1.81461  -0.993967    1.86303  2.33799     152.7       1.24441     332.7       
1 1 1 3  6  54 o 10.7165 3.60371 -1.31038     1.63319  -1.80839     1.61697  0.590401    117.689     3.72069     297.689     
1 1 1 3  6  55 o 33.2362 4.77325 7.00667      2.45411  7.95929      2.25832  29.1772     55.2576     4.87436     55.2576     
1 1 1 3  6  56 o 16.7677 4.89887 2.72364      2.28795  -0.0938958   1.96614  6.43832     153.032     1.01648     153.032     
1 1 1 3  6  57 o 21.6433 5.26642 3.1686       2.29666  3.93003      2.01818  12.2578     348.936     8.87076     168.936     
1 1 1 3  6  58 o 17.9687 4.99142 2.74103      2.11879  1.74605      1.9329   12.7959     143.333     3.30299     143.333     
1 1 1 3  6  59 o 13.3488 4.28764 -0.0946894   1.92251  0.140487     1.91722  3.53991     145.476     9.58243     325.476     
1 1 1 3  6  60 o 13.7108 4.30637 -1.78359     1.93998  1.75159      1.95594  4.84444     73.073      0.95264     253.073     
1 1 1 3  6  61 o 26.5219 5.70938 5.34225      2.57408  7.1192       2.57768  22.0553     88.6862     9.04721     88.6862     
1 1 1 3  6  62 f 15.0986 4.73431 0.289239     2.01582  1.97981      2.36278  11.6997     19.2949     0           0           
1 1 1 3  6  63 o 12.1646 4.07592 -0.281128    1.96593  -0.897689    2.1316   2.07924     294.524     1.20941     114.524     
1 1 1 3  7  0  o 257.526 1.81683 361.24       7.20321  361.24       7.20321  292.913     90          106.253     90          
1 1 1 3  7  1  o 370.625 1.8292  748.223      10.4413  748.038      10.438   378.579     0.820674    80.9106     0.820674    
1 1 1 3  7  2  o 285.659 1.81638 429.275      7.98246  459.838      7.99067  213.233     53.0169     91.7757     233.017     
1 1 1 3  7  3  o 429.127 1.83903 974.771      12.1441  1031.49      12.1537  414.58      95.9767     41.3547     95.9767     
1 1 1 3  7  4  o 312.188 1.88429 538.2        9.36826  523.45       8.74524  345.255     100.286     128.911     100.286     
1 1 1 3  7  5  o 142.54  1.99604 109.839      4.31456  111.477      4.44771  32.8456     291.7       178.996     111.7       
1 1 1 3  7  6  o 79.4211 2.07617 30.3021      2.57961  38.7605      2.44142  8.70847     339.271     57.0959     159.271     
1 1 1 3  7  7  o 279.448 1.95216 425.253      8.39992  425.309      8.40115  323.687     141.077     151.999     141.077     
1 1 1 3  7  8  o 173.817 1.77169 148.534      4.7171   181.326      4.73335  127.602     330.845     43.6428     150.845     
1 1 1 3  7  9  o 167.753 1.8268  149.518      4.7148   157.013      4.72129  43.2135     62.8567     209.429     242.857     
1 1 1 3  7  10 o 239.59  1.83638 301.757      6.76657  323.607      6.778    128.348     77.0686     175.542     257.069     
1 1 1 3  7  11 o 327.487 1.84951 587.275      9.32682  580.749      9.32684  275.033     148.767     46.0834     328.767     
1 1 1 3  7  12 o 144.427 1.86674 109.174      4.1471   118.087      4.15159  138.201     130.261     74.1029     130.261     
1 1 1 3  7  13 o 353.477 1.98481 692.093      10.8103  668.825      10.7948  353.12      136.388     63.2016     136.388     
1 1 1 3  7  14 o 166.019 2.01447 147.927      5.14676  152.283      5.15258  183.296     280.768     114.156     280.768     
1 1 1 3  7  15 o 204.45  2.24313 230.321      7.35816  224.992      6.75956  131.084     171.276     99.7206     351.276     
1 1 1 3  7  16 o 263.556 1.99056 375.445      8.07497  381.125      8.08206  262.038     130.69      56.9694     130.69      
1 1 1 3  7  17 o 528.2   2.04041 1486.34      16.5788  1552.88      16.6081  475.888     86.5622     14.5809     266.562     
1 1 1 3  7  18 o 285.366 2.17231 433.658      9.53967  453.507      9.54857  296.038     39.4745     88.9835     39.4746     
1 1 1 3  7  19 o 177.142 2.03232 173.449      5.54919  168.384      5.53758  139.706     51.2488     13.1344     231.249     
1 1 1 3  7  20 o 84.3412 2.29224 34.4359      3.13362  43.4424      2.71406  15.0965     146         48.4218     326         
1 1 1 3  7  21 o 81.7907 2.14274 38.4078      2.79455  34.6269      2.59484  0.950182    302.263     116.99      302.263     
1 1 1 3  7  22 o 80.2669 2.18738 36.1062      2.70225  34.2146      2.69364  14.4327     196.382     1.3707      16.3816     
1 1 1 3  7  23 f 120.571 2.06513 81.4085      3.84276  77.0345      3.82406  108.174     206.437     0           0           
1 1 1 3  7  24 o 148.434 1.92359 122.208      4.39859  117.9        4.39403  163.957     239.528     80.6974     239.528     
1 1 1 3  7  25 o 157.859 2.13026 139.916      4.97589  131.775      5.35874  159.313     266.969     45.0704     266.969     
1 1 1 3  7  26 o 274.633 2.02433 416.405      8.57101  405.766      8.55015  272.799     359.399     50.6502     359.399     
1 1 1 3  7  27 f 304.557 2.11487 509.792      9.52431  501.492      10.2908  300.507     274.294     0           0           
1 1 1 3  7  28 o 202.869 2.18393 230.955      5.97273  217.947      7.53263  200.658     359.101     41.1283     359.101     
1 1 1 3  7  29 o 136.91  2.7097  99.9721      4.36258  104.781      6.83364  130.954     109.593     27.0044     109.593     
1 1 1 3  7  30 o 92.0174 2.46405 45.1474      3.15535  47.3997      3.79881  87.7717     297.464     31.6677     297.464     
1 1 1 3  7  31 o 156.747 1.96413 126.251      4.72256  141.911      4.74854  171.577     137.145     69.0312     137.145     
1 1 1 3  7  32 o 264.433 1.92402 379.756      7.82952  382.799      7.83951  240.906     156.399     7.72381     156.399     
1 1 1 3  7  33 o 113.122 2.12138 70.8394      3.56741  68.8746      3.80872  21.5327     37.8129     156.118     217.813     
1 1 1 3  7  34 o 169.352 1.97285 155.191      5.14196  157.697      5.14756  171.817     67.0926     45.5468     67.0926     
1 1 1 3  7  35 f 176.956 2.27067 164.346      6.17493  177.707      6.19353  152.604     119.599     0           0           
1 1 1 3  7  36 o 182.825 2.26362 183.654      6.37602  181.525      6.36942  188.21      116.201     52.6616     116.201     
1 1 1 3  7  37 o 67.5882 2.50785 25.7059      2.68215  24.4225      2.52018  73.6761     106.477     46.7784     106.477     
1 1 1 3  7  38 o 121.964 2.5251  78.6651      4.90939  84.4664      4.53966  110.104     324.367     7.45615     324.367     
1 1 1 3  7  39 o 76.9934 2.54475 32.0199      3.08954  33.1474      2.9217   64.0843     215.074     1.92751     35.0735     
1 1 1 3  7  40 o 55.2651 2.56585 15.9717      2.16297  17.7456      2.17582  55.6115     39.8291     27.0059     39.8291     
1 1 1 3  7  41 o 64.73   2.38997 21.8188      2.35563  24.3925      2.38828  41.9361     27.1835     26.6449     207.184     
1 1 1 3  7  42 o 26.5567 4.03207 4.6564       1.60508  3.57663      1.59832  3.30426     107.597     1.27181     107.597     
1 1 1 3  7  43 o 106.768 2.17417 61.7388      3.47085  63.8876      3.67068  105.936     85.3779     25.6868     85.3779     
1 1 1 3  7  44 o 14.78   4.21955 0.197029     1.48443  0.994788     1.50962  0.044139    133.095     6.51437     133.095     
1 1 1 3  7  45 o 75.2793 2.48708 30.3576      2.87523  32.6844      2.87165  71.5929     145.803     13.6904     145.803     
1 1 1 3  7  46 o 52.7437 3.15648 15.4386      2.51783  16.0759      2.5613   37.9539     302.264     13.6549     122.264     
1 1 1 3  7  47 o 30.8138 4.29475 4.96607      1.884    6.45306      2.04961  25.4732     289.671     2.25203     289.671     
1 1 1 3  7  48 o 58.4784 2.67411 19.2188      2.33487  19.3319      2.45398  54.0778     246.445     8.29112     246.445     
1 1 1 3  7  49 o 69.0795 2.69204 25.1249      2.84637  28.9366      2.84677  67.1279     28.7969     16.4204     28.7969     
1 1 1 3  7  50 o 30.7804 4.37053 8.15455      2.06515  3.84632      1.95026  29.4246     108.003     19.7197     108.003     
1 1 1 3  7  51 o 25.3244 4.48165 5.48139      1.8065   2.67335      1.80645  18.8033     27.2022     1.5237      27.2022     
1 1 1 3  7  52 o 27.8975 4.92572 4.85027      2.10913  5.41944      2.11381  17.1694     19.071      9.37876     199.071     
1 1 1 3  7  53 o 14.1244 4.34563 0.683385     1.77711  -0.285358    1.78756  2.95088     335.39      10.3454     155.39      
1 1 1 3  7  54 o 20.6514 4.85448 -0.749723    2.61539  4.81558      1.9959   16.71       57.2458     5.47499     57.2458     
1 1 1 3  7  55 o 32.2387 4.86799 7.53037      2.47871  6.78681      2.20825  31.6426     308.847     13.0185     308.847     
1 1 1 3  7  56 o 35.8345 3.97302 8.23122      2.1067   8.42289      2.134    38.3745     82.3774     19.8956     82.3774     
1 1 1 3  7  57 o 38.2912 3.93305 8.49951      2.21369  10.7812      2.26005  37.3208     13.3542     12.0091     13.3542     
1 1 1 3  7  58 o 14.3236 4.4225  0.860445     1.8477   0.452413     1.84376  6.59481     348.951     1.86344     168.951     
1 1 1 3  7  59 o 16.3496 4.81264 2.51138      1.89628  -0.0530257   2.495    9.36782     316.805     0.131418    136.805     
1 1 1 3  7  60 f 14.5242 4.51741 1.51472      1.96036  -0.136075    2.03885  11.5473     304.975     0           0           
1 1 1 3  7  61 o 20.8804 5.39465 3.93906      2.35354  3.67767      2.16493  11.5545     108.991     0.69093     288.991     
1 1 1 3  7  62 o 29.4792 6.14271 6.52257      2.64937  11.222       3.36868  26.0822     265.204     8.90084     265.204     
1 1 1 3  7  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  8  0  o 211.71  1.81683 244.16       5.9211   244.16       5.9211   233.508     270         74.4389     270         
1 1 1 3  8  1  o 184.795 1.8135  195.026      5.1612   177.122      5.15146  100.872     29.6065     122.546     209.607     
1 1 1 3  8  2  o 215.026 1.80698 251.669      5.98387  251.901      5.98254  196.925     18.6123     18.0997     18.6123     
1 1 1 3  8  3  o 110.476 1.82034 64.7789      3.09569  68.1702      3.09638  57.3509     284.772     44.2507     104.771     
1 1 1 3  8  4  o 340.217 1.88573 640.623      10.2196  620.11       9.53632  314.978     70.2437     12.0502     70.2437     
1 1 1 3  8  5  o 188.361 1.9989  211.705      6.04105  175.569      5.55213  147.72      121.92      31.2173     301.92      
1 1 1 3  8  6  o 353.546 2.13232 668.324      11.6032  693.204      11.6117  327.082     274.558     11.0039     274.558     
1 1 1 3  8  7  o 119.511 2.15324 69.3816      3.93046  86.7262      3.95622  86.2171     246.929     13.2873     246.929     
1 1 1 3  8  8  o 228.129 2.12039 279.251      7.4446   287.604      7.45187  164.705     275.528     77.597      95.5276     
1 1 1 3  8  9  o 422.008 2.0759  944.503      13.9916  995.489      12.9331  381.226     256.711     9.59713     76.7111     
1 1 1 3  8  10 o 202.04  1.91368 228.598      5.73413  216.065      6.15096  151.255     30.4922     53.7413     210.492     
1 1 1 3  8  11 o 502.86  1.88322 1350.81      14.5724  1403.43      14.5893  542.836     316.186     164.803     316.186     
1 1 1 3  8  12 o 675.437 2.07137 2506.69      21.559   2462.32      21.5285  738.124     52.8522     234.645     52.8522     
1 1 1 3  8  13 o 322.906 1.98567 553.102      9.86497  582.73       9.87745  268.127     19.5541     48.5062     199.554     
1 1 1 3  8  14 o 469.446 2.20882 1218.02      14.5908  1182.56      17.1964  472.674     116.136     89.383      116.136     
1 1 1 3  8  15 o 429.27  2.00762 1002         13.27    1005.08      13.2719  483.701     14.5503     190.497     14.5503     
1 1 1 3  8  16 o 407.293 2.00908 882.073      12.5863  925.055      12.6103  396.673     269.716     56.5774     269.716     
1 1 1 3  8  17 o 47.1333 2.91639 14.7465      2.0739   9.89277      2.0504   16.6458     228.432     43.6761     228.432     
1 1 1 3  8  18 o 171.934 2.03182 159.29       5.37647  162.735      5.38195  128.22      180.986     28.3186     0.986021    
1 1 1 3  8  19 o 167.765 1.90086 161.72       4.91565  145.096      4.89591  92.1187     142.026     102.587     322.026     
1 1 1 3  8  20 o 83.4431 2.13784 32.5984      2.77797  43.7754      2.63895  28.9421     129.22      187.806     129.22      
1 1 1 3  8  21 o 217.375 1.88652 254.469      6.31105  260.341      6.31805  204.845     278.454     26.6836     278.454     
1 1 1 3  8  22 o 163.531 1.97494 149.718      4.82226  141.73       5.10949  187.502     47.0486     102.89      47.0486     
1 1 1 3  8  23 o 127.958 2.14887 84.6649      4.37291  93.9688      4.06051  78.5284     23.8073     62.6912     203.807     
1 1 1 3  8  24 o 48.9151 2.68511 13.3953      2.21938  12.861       1.77612  6.13527     63.9943     69.5996     63.9943     
1 1 1 3  8  25 o 130.066 2.01415 98.4885      4.18635  86.1177      3.88284  129.252     193.515     37.3808     193.515     
1 1 1 3  8  26 o 78.9433 2.24046 34.7468      2.71815  33.3249      2.71707  54.4613     184.142     10.3535     4.14203     
1 1 1 3  8  27 o 46.2799 2.8811  11.8036      2.17383  11.7586      1.87919  25.7521     251.076     117.832     251.075     
1 1 1 3  8  28 o 72.1405 2.32114 28.8132      2.57364  28.0769      2.5696   46.2687     301.655     7.33585     121.655     
1 1 1 3  8  29 o 147.958 1.95019 114.673      4.43629  124.121      4.44543  159.834     105.973     64.8702     105.973     
1 1 1 3  8  30 o 52.1043 2.63159 15.2947      1.99484  14.5008      2.18855  4.11404     136.972     71.0865     316.972     
1 1 1 3  8  31 o 138.623 2.13671 104.247      4.56418  105.387      4.55792  134.504     4.30463     26.9749     4.30463     
1 1 1 3  8  32 o 146.151 2.14042 115.382      4.47144  117.664      5.14538  165.574     105.112     77.7884     105.112     
1 1 1 3  8  33 o 102.238 2.56295 57.1211      3.28349  57.191       4.6537   88.8551     119.995     4.18118     119.995     
1 1 1 3  8  34 o 97.2513 2.31271 50.3027      3.18877  53.1069      3.72001  103.987     236.424     46.6675     236.424     
1 1 1 3  8  35 o 37.6411 3.70727 7.7982       2.0852   8.053        2.09571  26.5604     35.0802     113.444     35.0802     
1 1 1 3  8  36 o 78.5324 2.27255 33.73        2.74598  33.7909      2.73884  55.2065     352.374     23.554      172.373     
1 1 1 3  8  37 o 43.5089 3.55607 11.3574      2.33988  9.78298      2.326    22.3778     209.977     19.4279     29.9772     
1 1 1 3  8  38 o 67.8099 2.82641 24.5666      2.93627  26.1113      2.93806  60.3496     46.9252     10.0704     46.9252     
1 1 1 3  8  39 o 143.203 2.01819 112.447      4.45187  112          4.44899  154.524     54.764      59.1207     54.764      
1 1 1 3  8  40 o 62.7114 2.43295 21.0146      2.3342   22.3345      2.34532  50.7078     120.725     3.70909     300.725     
1 1 1 3  8  41 o 12.56   3.89303 0.058144     1.49508  -0.689171    1.40139  6.97636     183.823     20.6709     183.823     
1 1 1 3  8  42 o 108.664 2.25895 69.1264      4.05023  61.144       3.50427  106.537     202.29      23.6971     202.29      
1 1 1 3  8  43 o 105.614 2.1834  61.3958      3.65227  61.6359      3.43816  95.5593     262.624     7.35552     262.624     
1 1 1 3  8  44 o 13.3926 4.06155 0.41606      1.44735  -0.506892    1.5965   8.11239     78.2849     31.4676     78.2849     
1 1 1 3  8  45 o 40.8948 3.42906 11.6483      1.99247  7.67638      2.11472  35.5378     6.62959     4.35774     6.6296      
1 1 1 3  8  46 o 28.7574 4.43031 5.73383      1.88477  4.24553      1.93628  22.2709     345.596     0.80325     345.596     
1 1 1 3  8  47 o 24.8855 5.13991 3.72716      1.94022  3.95092      2.24812  13.6256     60.2224     11.8689     240.222     
1 1 1 3  8  48 o 43.0213 3.33885 13.2029      2.13872  8.46316      2.11109  36.413      214.449     0.980974    214.449     
1 1 1 3  8  49 o 44.974  3.29548 12.6637      2.11591  10.8696      2.33793  41.8114     159.632     9.27283     159.632     
1 1 1 3  8  50 o 23.3713 4.52452 5.80462      1.96727  0.792871     1.92134  11.722      117.379     11.3133     297.379     
1 1 1 3  8  51 o 21.5948 5.07434 3.96602      2.16717  2.01523      1.84091  11.5704     198.995     6.91989     18.9947     
1 1 1 3  8  52 o 16.3134 4.72076 0.247442     2.10414  1.65588      1.78579  5.98101     274.278     5.15772     94.2784     
1 1 1 3  8  53 o 17.5079 4.73696 2.37509      1.76809  0.951731     1.90644  9.63616     161.326     3.213       341.326     
1 1 1 3  8  54 o 21.4249 4.98015 5.47023      2.23672  -0.0286425   2.34241  13.368      147.249     5.27845     327.249     
1 1 1 3  8  55 o 15.9455 4.51718 2.40959      1.80388  -0.398826    1.84664  6.64222     55.2623     4.72137     235.262     
1 1 1 3  8  56 o 43.1653 3.76586 9.43202      2.28059  14.694       2.55913  40.0335     142.46      9.03445     142.46      
1 1 1 3  8  57 o 32.6726 4.54061 6.12975      2.15291  8.94716      2.24948  29.4042     209.019     6.40555     209.019     
1 1 1 3  8  58 o 14.6085 4.45478 -0.117182    1.86711  1.6003       1.87014  5.6354      219.515     7.32579     39.5148     
1 1 1 3  8  59 o 14.3016 4.40708 1.80664      1.90843  -0.743062    1.91183  4.8346      255.072     0.181117    255.072     
1 1 1 3  8  60 o 17.724  5.01173 2.31322      2.08997  2.45023      2.05234  8.25441     141.414     3.54174     321.414     
1 1 1 3  8  61 o 18.8721 5.04976 1.84857      2.06268  3.9223       2.09964  8.77994     357.245     5.84635     177.245     
1 1 1 3  8  62 o 17.1308 5.04466 1.79349      2.45433  3.10052      2.10212  9.53912     188.889     0.985161    8.88926     
1 1 1 3  8  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  9  0  o 186.115 1.81652 188.711      5.20385  188.711      5.20385  202.552     270         62.0753     270         
1 1 1 3  9  1  o 239.589 1.88749 303.644      7.18353  321.657      6.71839  218.199     185.635     11.963      185.635     
1 1 1 3  9  2  o 481.95  1.92021 1271.61      14.73    1258.12      13.76    455.192     359.345     28.1867     359.345     
1 1 1 3  9  3  o 168.821 1.81898 145.224      4.71617  165.499      4.72687  121.738     210.098     45.5612     30.0978     
1 1 1 3  9  4  o 482.499 1.85413 1278.04      13.7811  1257.45      13.7705  504.59      21.4656     127.276     21.4656     
1 1 1 3  9  5  o 421.716 2.14259 961.445      13.9125  975.586      13.9148  381.11      349.814     7.54407     169.814     
1 1 1 3  9  6  o 70.4328 2.23851 28.8509      2.42164  25.3473      2.41429  2.82337     331.339     55.0467     151.339     
1 1 1 3  9  7  o 671.036 2.22789 2500.74      23.0436  2404.23      22.9933  761.66      10.7185     291.927     10.7185     
1 1 1 3  9  8  o 224.388 2.13362 267.534      7.3654   280.946      7.37633  149.572     300.22      101.044     120.22      
1 1 1 3  9  9  o 627.929 2.21725 2198.09      21.463   2097.16      21.4084  558.453     344.414     35.6271     164.414     
1 1 1 3  9  10 o 466.436 2.17134 1180.03      15.5922  1189.66      15.5993  460.401     330.746     69.9746     330.746     
1 1 1 3  9  11 o 432.438 2.37693 1015.58      15.8281  1021.4       15.8281  515.362     30.165      248.136     30.165      
1 1 1 3  9  12 o 67.8508 2.18518 23.133       2.26633  27.1987      2.27729  28.1287     272.837     136.588     272.837     
1 1 1 3  9  13 o 170.104 2.02096 157.485      5.29307  157.677      5.29439  163.316     303.574     57.4631     303.574     
1 1 1 3  9  14 o 219.504 2.18775 270.721      6.75322  254.245      7.94538  192.542     22.6419     6.68016     22.642      
1 1 1 3  9  15 o 363.958 2.00182 740.498      11.2225  702.62       11.2106  345.041     340.765     37.4102     340.765     
1 1 1 3  9  16 f 380.175 2.16259 807.197      12.6695  767.539      12.6459  319.331     21.894      0           0           
1 1 1 3  9  17 o 340.416 2.00042 643.037      10.4922  619.447      10.4779  282.384     348.396     46.2276     168.396     
1 1 1 3  9  18 o 96.5947 2.00681 50.9903      2.98474  50.7463      2.97884  43.8639     300.393     22.1267     120.393     
1 1 1 3  9  19 o 205.961 1.88019 240.42       5.97229  221.896      5.94777  186.099     329.779     13.4131     329.779     
1 1 1 3  9  20 o 85.0023 2.04606 38.5049      2.66887  40.3256      2.67879  10.3227     342.121     113.564     162.121     
1 1 1 3  9  21 o 105.14  1.97824 54.3956      3.17443  66.4099      3.2066   88.7749     230.957     20.2052     230.957     
1 1 1 3  9  22 o 241.237 1.88233 306.247      6.98041  328.095      6.99895  210.09      212.413     11.029      32.4128     
1 1 1 3  9  23 o 219.613 2.01015 264.651      6.80113  261.028      6.79455  183.371     255.104     25.201      75.1042     
1 1 1 3  9  24 o 193.1   2.02015 197.674      5.9966   208.853      6.01439  137.676     237.916     68.7523     57.9161     
1 1 1 3  9  25 o 161.768 1.92388 138.334      4.7858   146.979      4.79617  115.503     46.144      54.1868     226.144     
1 1 1 3  9  26 o 110.775 2.12701 66.6438      3.62391  67.2621      3.62586  93.4572     61.9624     2.34121     61.9622     
1 1 1 3  9  27 o 170.503 2.14452 159.862      5.84864  157.187      5.40722  195.782     25.1913     97.7531     25.1913     
1 1 1 3  9  28 o 111.359 2.36736 67.4139      4.3896   68.0118      3.68586  101.088     352.064     15.7687     352.064     
1 1 1 3  9  29 o 141.91  2.30766 111.093      5.4418   108.646      4.61873  123.333     197.633     0.990012    17.6332     
1 1 1 3  9  30 o 60.8986 2.36635 18.7797      2.20064  21.8751      2.21111  31.6996     237.619     31.6115     57.6186     
1 1 1 3  9  31 o 253.884 2.06523 347.042      8.07276  356.109      8.07441  207.319     353.52      38.1298     173.52      
1 1 1 3  9  32 o 86.4604 2.34974 40.383       3.11546  41.3471      3.12957  84.356      340.451     30.0912     340.451     
1 1 1 3  9  33 o 157.7   1.99639 140.87       4.86558  130.586      4.82667  116.598     301.498     44.4693     121.498     
1 1 1 3  9  34 o 131.491 2.46031 88.0171      5.15064  101.238      4.75143  96.0229     47.4799     38.4078     227.48      
1 1 1 3  9  35 o 87.2317 2.20955 38.9268      2.95084  44.4125      2.96676  94.2144     92.2951     42.5693     92.2951     
1 1 1 3  9  36 o 153.458 2.44633 134.155      5.53669  123.678      5.99012  134.452     24.1593     0.472309    204.16      
1 1 1 3  9  37 o 63.6445 3.15353 19.4194      2.77322  25.5592      3.37874  52.317      169.637     2.12051     169.637     
1 1 1 3  9  38 o 60.8249 2.66307 19.9382      2.29235  20.8507      2.66453  50.2957     25.487      1.82455     25.487      
1 1 1 3  9  39 o 46.0149 2.9142  13.7051      2.08458  9.96378      1.97414  30.0542     288.766     12.9496     108.766     
1 1 1 3  9  40 o 46.2394 2.78529 11.9293      1.95267  11.8346      1.97583  23.954      298.45      28.5815     118.45      
1 1 1 3  9  41 o 83.9267 2.21941 40.6489      2.85607  36.9935      2.86503  56.1145     294.861     33.4213     114.861     
1 1 1 3  9  42 o 88.3778 2.26413 42.9816      2.9733   43.2425      3.17616  84.1328     74.1507     15.5618     74.1507     
1 1 1 3  9  43 o 29.0272 4.22558 4.85695      1.64501  5.08175      2.0035   22.7156     257.056     5.87169     257.056     
1 1 1 3  9  44 o 42.0425 3.35034 10.9016      1.94347  9.27795      2.25582  46.975      163.566     29.7786     163.566     
1 1 1 3  9  45 o 63.1437 2.74594 22.5544      2.76322  22.1438      2.54789  58.7955     225.833     10.346      225.833     
1 1 1 3  9  46 o 26.5214 4.32623 6.49934      1.94857  2.2714       1.66936  23.7033     324.078     12.2666     324.078     
1 1 1 3  9  47 f 33.813  4.12418 7.78936      2.11094  5.95807      2.01785  31.8703     133.996     0           0           
1 1 1 3  9  48 o 28.5368 4.6978  5.41193      1.94701  4.77443      2.11033  22.7031     208.358     1.92243     208.358     
1 1 1 3  9  49 o 35.9203 4.35685 7.09542      2.57544  8.72722      1.94788  34.3217     331.842     12.2604     331.842     
1 1 1 3  9  50 o 54.5817 3.12995 16.6074      2.4751   17.9608      2.74135  55.3906     134.112     20.1909     134.112     
1 1 1 3  9  51 o 15.2405 4.5012  -1.71509     2.10051  1.80146      1.82499  2.00529     322.525     14.5975     142.525     
1 1 1 3  9  52 o 14.6175 4.36963 0.840043     1.68841  0.340512     1.70768  1.78286     96.5102     0.525221    276.51      
1 1 1 3  9  53 o 25.9019 5.5748  4.66082      2.3452   5.20113      2.50052  20.9833     264.945     2.22566     264.945     
1 1 1 3  9  54 o 34.8738 4.44523 9.09688      2.10967  7.02285      2.42232  31.5005     152.437     7.21588     152.437     
1 1 1 3  9  55 o 13.9628 4.35614 -0.763511    1.98187  0.936514     1.79196  4.75593     348.963     3.73246     168.963     
1 1 1 3  9  56 o 28.9264 4.70448 7.17336      2.07413  4.83254      2.06962  24.7322     56.2632     3.51724     56.2633     
1 1 1 3  9  57 o 22.0636 5.02431 4.63162      1.99218  2.87728      1.98643  13.6896     18.7024     6.10731     198.702     
1 1 1 3  9  58 o 13.3198 4.22796 -0.945075    1.83815  1.03049      1.8591   3.46252     97.7951     9.53901     277.795     
1 1 1 3  9  59 f 14.5121 4.35382 2.55428      1.92087  -1.89308     1.90274  8.08701     79.7119     0           0           
1 1 1 3  9  60 o 15.0206 4.61844 0.686393     2.01721  1.44953      1.98812  2.72267     131.466     7.75456     311.466     
1 1 1 3  9  61 o 17.4344 5.00904 2.05757      2.1195   2.9475       2.11683  7.52627     72.1386     0.661477    72.1386     
1 1 1 3  9  62 o 20.3104 5.35712 3.87572      2.39685  4.14076      2.13478  11.83       191.026     6.09088     11.0262     
1 1 1 3  10 0  o 66.6008 1.91899 24.272       1.96064  24.272       1.96064  2.10781     90          40.0971     270         
1 1 1 3  10 1  o 323.573 1.82608 572.793      9.10022  567.483      9.09711  337.67      42.4288     93.8612     42.4288     
1 1 1 3  10 2  o 226.898 1.87114 287.739      6.76289  273.057      6.31327  156.692     334.863     90.2588     154.863     
1 1 1 3  10 3  o 714.267 1.99196 2792.72      22.6509  2763.82      21.1497  603.982     177.681     101.805     357.681     
1 1 1 3  10 4  o 199.784 1.81826 208.356      5.58681  226.528      5.59374  156.369     170.763     37.1493     350.763     
1 1 1 3  10 5  o 479.131 2.08183 1246.51      14.742   1253.85      15.9573  416.834     149.515     40.3194     329.515     
1 1 1 3  10 6  o 398.716 2.14695 840.143      13.1671  891.774      13.1884  348.662     92.8572     26.5275     272.857     
1 1 1 3  10 7  o 291.692 2.24665 459.717      10.5404  467.059      9.61314  373.873     312.319     239.346     312.319     
1 1 1 3  10 8  o 682.348 2.34578 2513.76      25.7084  2557.97      23.5185  626.66      283.72      5.68329     283.72      
1 1 1 3  10 9  o 283.906 2.14406 430.341      9.36674  447.684      9.37774  168.196     263.877     173.207     83.8768     
1 1 1 3  10 10 o 105.628 2.5122  56.5501      4.06276  65.2888      4.08347  45.5568     39.8011     1.48372     219.801     
1 1 1 3  10 11 o 162.404 2.40659 134.974      5.99748  152.613      6.02409  91.2849     209.084     89.8504     29.0844     
1 1 1 3  10 12 o 314.685 2.0643  532.534      9.58467  546.15       10.4138  251.888     27.2271     57.9395     207.227     
1 1 1 3  10 13 o 498.099 2.18116 1365.64      16.7217  1337.07      16.7365  465.77      334.466     30.4126     334.466     
1 1 1 3  10 14 o 48.6246 2.51597 11.4793      1.85954  14.5089      1.86121  78.3746     277.939     201         277.939     
1 1 1 3  10 15 o 257.554 2.02614 358.582      8.58404  364.047      7.43742  226.459     324.583     1.12478     324.584     
1 1 1 3  10 16 o 271.759 1.99771 408.691      8.36284  395.917      8.35564  250.279     203.142     20.4457     203.142     
1 1 1 3  10 17 o 230.605 1.94466 288.664      7.14471  290.689      6.65606  198.079     56.3794     9.23701     236.379     
1 1 1 3  10 18 o 302.554 1.87592 504.295      8.74235  493.024      8.73665  289.673     258.281     38.0684     258.281     
1 1 1 3  10 19 o 208.918 1.88204 238.65       6.05599  236.906      6.05338  169.232     55.3649     30.9704     235.365     
1 1 1 3  10 20 o 44.0058 2.47361 11.4394      1.65497  9.83633      1.66137  25.7695     265.641     99.1856     265.641     
1 1 1 3  10 21 o 315.538 1.87964 540.597      9.13214  544.402      9.13391  294.007     231.14      21.068      231.14      
1 1 1 3  10 22 o 206.332 1.96166 229.164      6.0033   234.865      6.45878  190.879     79.9422     16.0292     79.9422     
1 1 1 3  10 23 o 138.892 2.04912 103.842      4.37794  106.46       4.38692  90.5513     11.5733     61.1706     191.573     
1 1 1 3  10 24 o 88.6536 2.23757 41.6379      2.94166  44.1958      3.15842  60.7222     23.7559     20.3658     203.756     
1 1 1 3  10 25 o 175.668 1.98319 166.264      5.18107  170.188      5.54585  169.111     280.981     31.1453     280.981     
1 1 1 3  10 26 o 36.5725 3.56341 6.4949       2.14536  8.46921      1.60371  1.44239     291.081     8.3651      291.081     
1 1 1 3  10 27 o 190.025 2.04929 199.135      6.00088  194.665      5.99177  187.596     185.428     40.9613     185.428     
1 1 1 3  10 28 o 132.812 2.0436  95.5545      4.03734  96.8239      4.31859  125.62      111.791     22.0733     111.791     
1 1 1 3  10 29 o 28.4102 3.86562 4.42613      1.62052  4.71313      1.63896  20.0311     99.2547     70.5031     99.2547     
1 1 1 3  10 30 o 167.464 2.10383 157.343      5.43253  148.657      5.41516  191.389     353.875     91.1344     353.875     
1 1 1 3  10 31 o 57.6706 2.59159 17.5181      2.35284  18.9702      2.21532  26.9147     13.3678     34.2711     193.368     
1 1 1 3  10 32 o 129.201 2.27323 90.7121      4.68914  91.6044      4.34361  78.7801     148.532     68.0519     328.532     
1 1 1 3  10 33 o 173.663 2.54764 165.929      7.50549  163.737      6.05086  164.866     203.906     24.5019     203.906     
1 1 1 3  10 34 o 166.486 2.11454 156.522      5.42427  146.319      5.41349  165.575     256.358     38.8112     256.358     
1 1 1 3  10 35 o 86.6208 2.31407 41.7512      2.97225  40.4343      3.18216  64.4077     207.87      18.978      27.8701     
1 1 1 3  10 36 o 43.9811 3.52816 12.3064      2.32096  9.3801       2.32993  28.1423     167.855     1.70157     347.855     
1 1 1 3  10 37 o 14.9906 4.14682 1.41967      1.4538   -0.244444    1.45704  15.665      269.411     40.8042     269.411     
1 1 1 3  10 38 o 130.186 2.04535 92.8652      4.0966   92.7698      4.10408  112.829     344.194     0.910988    164.194     
1 1 1 3  10 39 o 48.5298 2.75392 14.6563      2.01816  11.5697      2.03626  45.4504     13.3078     15.006      13.3078     
1 1 1 3  10 40 o 95.9933 2.69777 52.0399      3.367    49.9446      4.48218  106.979     149.111     48.7909     149.111     
1 1 1 3  10 41 o 73.3654 2.761   33.6192      2.65231  26.408       3.38383  61.8526     210.36      2.1849      30.3604     
1 1 1 3  10 42 o 46.0035 3.27857 14.5292      2.02812  9.62984      2.36187  37.0647     121.786     2.06187     301.786     
1 1 1 3  10 43 o 57.8187 2.7771  19.8834      2.28135  17.5744      2.59314  51.3956     183.666     5.2615      183.666     
1 1 1 3  10 44 o 64.0642 2.43848 20.5919      2.37755  25.2261      2.39796  62.5577     22.13       16.7345     22.13       
1 1 1 3  10 45 o 66.2303 2.59009 26.6697      2.62272  22.5114      2.62406  58.7496     243.452     4.65893     243.452     
1 1 1 3  10 46 o 23.0103 5.00788 2.42339      2.39192  3.78562      1.6903   5.68701     343.627     25.2004     163.627     
1 1 1 3  10 47 o 19.7158 4.73397 1.49703      1.79134  2.94171      1.73301  11.1205     244.464     1.19721     64.4642     
1 1 1 3  10 48 o 23.5121 4.60494 5.6081       1.99374  1.24716      1.84767  15.0358     251.394     3.19103     71.3941     
1 1 1 3  10 49 o 24.2679 4.82185 2.77869      2.03114  4.67269      1.84177  17.196      130.916     1.59488     130.916     
1 1 1 3  10 50 o 29.2808 4.87414 7.74345      2.34646  3.66511      2.09594  25.56       119.427     7.85535     119.427     
1 1 1 3  10 51 o 47.0154 3.79955 12.9228      2.61081  14.148       2.79318  50.0231     165.744     23.379      165.744     
1 1 1 3  10 52 o 12.9373 4.29863 -0.549854    2.29825  -2.27377     2.0674   2.34177     350.307     1.9688      170.307     
1 1 1 3  10 53 o 21.5756 5.05842 2.35442      1.98892  4.11336      2.02623  17.1738     309.78      6.40317     309.78      
1 1 1 3  10 54 o 29.5309 4.57565 5.69266      2.01886  6.21832      2.02847  25.6911     206.132     5.93269     206.132     
1 1 1 3  10 55 o 16.1906 4.71757 1.17184      1.86308  1.63155      1.93961  8.94713     151.926     2.39831     151.926     
1 1 1 3  10 56 o 18.6564 4.90766 3.26729      1.92504  1.63964      1.95014  10.8322     128.716     5.43429     308.716     
1 1 1 3  10 57 o 17.593  4.86134 0.603314     2.15273  3.25983      1.96172  9.14782     132.893     4.00664     132.893     
1 1 1 3  10 58 o 16.0317 4.6675  2.5466       1.92719  0.380216     1.95076  6.62903     133.451     2.0641      133.451     
1 1 1 3  10 59 o 22.9836 5.21155 4.4865       2.0819   4.30796      2.09646  16.1399     117.156     7.66607     117.156     
1 1 1 3  10 60 o 19.5343 5.23678 4.15926      2.29262  2.38573      2.09388  9.54449     164.874     1.58929     164.874     
1 1 1 3  10 61 o 16.7019 4.94204 1.96201      2.11926  2.6581       2.15347  8.81557     92.9407     0.744299    272.941     
1 1 1 3  10 62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  11 0  o 266.496 1.82982 386.81       7.50753  386.81       7.50753  329.967     270         171.706     270         
1 1 1 3  11 1  o 41.1173 2.48664 12.3952      1.43417  6.6166       1.52397  19.2683     101.588     49.4422     101.588     
1 1 1 3  11 2  o 397.981 1.8404  881.303      11.2871  843.943      11.267   399.187     3.07385     81.7177     3.07385     
1 1 1 3  11 3  o 566.721 1.88277 1765.59      16.448   1732.5       16.4126  567.368     81.0535     105.291     81.0535     
1 1 1 3  11 4  o 172.332 1.91243 154.644      5.22732  168.972      4.89514  52.0163     194.936     194.708     14.9358     
1 1 1 3  11 5  o 112.278 1.85218 67.427       3.20165  69.8832      3.20224  63.0609     225.413     1.24333     45.4129     
1 1 1 3  11 6  f 365.764 2.25697 703.017      13.2356  754.715      12.1118  224.193     173.992     0           0           
1 1 1 3  11 7  o 148.509 2.18007 122.883      4.9848   117.384      4.98433  126.889     98.5325     55.7147     98.5325     
1 1 1 3  11 8  o 134.734 2.20796 97.0147      4.57825  100.744      4.58258  67.5983     304.164     76.8545     124.164     
1 1 1 3  11 9  o 443.763 2.37708 1072.99      16.2513  1072.28      16.2361  432.664     327.072     67.1847     327.072     
1 1 1 3  11 10 o 476.55  2.53057 1212.3       17.5019  1262.17      19.6152  452.61      201.954     46.7999     201.954     
1 1 1 3  11 11 o 90.0608 2.3583  40.3622      3.24711  48.3022      3.26412  14.314      240.905     34.2206     60.9053     
1 1 1 3  11 12 f 191.786 2.66824 194.981      7.87068  205.9        7.88548  164.912     242         0           0           
1 1 1 3  11 13 f 404.114 2.6615  873.241      16.5445  906.603      16.5763  369.205     81.959      0           0           
1 1 1 3  11 14 o 534.24  2.11321 1547.12      18.0392  1562.46      16.6974  533.692     93.2031     102.426     93.2031     
1 1 1 3  11 15 o 285.328 1.99385 437.703      8.75527  449.308      8.76463  323.03      28.5355     144.064     28.5355     
1 1 1 3  11 16 o 394.116 1.94774 862.653      11.4224  829.838      12.1885  385.166     292.651     61.5933     292.651     
1 1 1 3  11 17 o 260.776 1.86711 370.321      7.49607  370.611      7.49926  287.438     37.744      113.968     37.744      
1 1 1 3  11 18 o 492.328 1.90352 1327.47      14.4333  1313.72      14.4288  471.023     5.49846     53.4086     5.49846     
1 1 1 3  11 19 o 158.741 1.89408 134.365      4.6231   140.267      4.63548  136.927     174.05      0.583588    354.05      
1 1 1 3  11 20 o 308.204 1.87896 516.812      8.91659  518.391      8.91849  331.313     57.5058     111.81      57.5058     
1 1 1 3  11 21 o 32.3519 2.96818 5.30845      1.43828  6.32804      1.43875  39.9097     125.024     115.778     125.024     
1 1 1 3  11 22 o 67.7145 2.16562 24.9037      2.25431  25.1923      2.25024  39.5687     174.086     1.25511     354.086     
1 1 1 3  11 23 o 235.612 1.9582  305.325      6.87868  299.868      7.31938  198.245     110.907     22.0463     290.907     
1 1 1 3  11 24 o 239.009 2.09589 315.205      8.00636  307.745      7.41627  171.519     83.0707     81.8636     263.071     
1 1 1 3  11 25 o 253.468 1.96718 355.531      7.91915  345.024      7.4355   209.812     102.323     30.8527     282.323     
1 1 1 3  11 26 o 134.488 1.97578 97.4776      4.08816  99.7609      4.09507  150.467     179.596     74.5944     179.596     
1 1 1 3  11 27 o 214.401 2.04627 258.077      6.76878  243.383      6.73938  165.674     210.83      48.7142     30.8299     
1 1 1 3  11 28 o 80.1265 2.34146 33.5446      2.87701  36.6755      2.88448  63.7217     9.84197     2.4535      189.842     
1 1 1 3  11 29 f 60.5225 2.3963  19.4632      2.22313  20.6539      2.2241   74.6674     333.501     0           0           
1 1 1 3  11 30 o 111.161 2.19133 69.7251      3.75066  65.2715      3.74123  98.1237     232.948     7.39384     232.948     
1 1 1 3  11 31 o 90.202  2.32098 42.7436      3.20705  46.2536      3.22684  91.9775     238.679     37.3144     238.679     
1 1 1 3  11 32 o 60.5103 2.82878 21.7499      2.61477  18.5485      2.61382  49.473      116.349     6.37951     116.349     
1 1 1 3  11 33 o 127.142 2.36575 86.477       4.61984  90.38        4.63423  108.264     104.718     4.7038      284.718     
1 1 1 3  11 34 o 75.4928 2.40842 33.6409      2.9161   28.9313      2.67027  70.8502     175.28      17.6034     175.28      
1 1 1 3  11 35 o 144.077 2.45913 115.709      5.7104   111.706      5.19686  133.973     144.299     17.6794     144.299     
1 1 1 3  11 36 o 112.47  2.31934 65.7969      3.85966  73.0259      4.16752  102.628     256.592     11.72       256.592     
1 1 1 3  11 37 o 90.1175 2.45097 43.5237      3.26191  45.7905      3.52772  71.2367     123.496     11.7893     303.496     
1 1 1 3  11 38 o 141.173 2.16102 108.501      4.67751  110.211      4.71818  138.131     17.356      31.0169     17.356      
1 1 1 3  11 39 o 51.1565 2.71817 14.9652      2.07052  14.1136      2.17422  54.647      29.0512     27.5193     29.0512     
1 1 1 3  11 40 o 63.0338 2.44345 20.9452      2.35935  23.076       2.3616   53.956      336.155     0.927131    336.155     
1 1 1 3  11 41 o 63.1383 2.44995 22.9057      2.37402  21.3298      2.36941  59.2114     176.533     11.7166     176.533     
1 1 1 3  11 42 o 68.5008 2.46516 23.5046      2.62593  28.7816      2.52383  52.977      202.764     10.8287     22.7642     
1 1 1 3  11 43 o 45.4059 3.71428 10.6191      2.83806  13.1465      2.02328  33.9926     342.823     7.22949     162.823     
1 1 1 3  11 44 o 16.0904 4.44964 1.66115      1.64368  0.174231     1.65227  3.28568     354.236     10.4248     174.236     
1 1 1 3  11 45 o 31.4404 4.2717  4.19037      1.74578  7.97488      2.26278  31.1104     234.971     13.4089     234.971     
1 1 1 3  11 46 o 40.8107 3.61443 8.60244      2.01814  10.978       2.43188  30.0145     324.694     7.57033     144.694     
1 1 1 3  11 47 o 31.6087 4.1015  5.08012      1.8155   7.13977      2.02976  11.2611     21.3955     28.8481     201.396     
1 1 1 3  11 48 o 50.1311 3.16891 14.7655      2.37714  14.3466      2.46081  43.1565     197.126     3.29467     197.126     
1 1 1 3  11 49 f 35.8271 4.91782 7.5452       2.32144  8.97753      2.90953  20.9513     312.339     0           0           
1 1 1 3  11 50 o 12.6874 4.04102 -0.836451    1.66932  -0.0308429   1.67441  0.229878    226.12      11.0242     46.1196     
1 1 1 3  11 51 o 14.9997 4.64996 1.33211      2.01692  -1.88426     2.40803  1.78768     323.225     0.11422     143.225     
1 1 1 3  11 52 o 40.533  4.98321 11.2546      2.95248  11.1111      3.04076  36.073      250.147     6.14999     250.147     
1 1 1 3  11 53 o 21.4976 5.29389 2.44413      2.69095  3.89734      1.90252  15.6686     325.574     3.63513     325.573     
1 1 1 3  11 54 o 23.5372 4.99958 2.67354      1.9725   5.49386      2.11215  19.2937     198.063     12.9035     198.063     
1 1 1 3  11 55 o 20.0618 4.92846 1.66655      1.9933   4.1124       1.95507  16.4627     175.084     5.67842     175.084     
1 1 1 3  11 56 o 16.0014 4.68219 2.10264      1.92906  0.743434     1.89397  8.51729     28.0092     2.79772     208.009     
1 1 1 3  11 57 o 28.6896 4.91837 5.23206      2.14024  7.39088      2.20167  26.0552     304.589     8.39602     304.589     
1 1 1 3  11 58 o 21.9572 5.20942 4.54821      2.09784  3.51         2.09122  16.227      310.685     3.47801     310.685     
1 1 1 3  11 59 o 23.6751 5.23391 3.89349      2.1854   5.53484      2.14059  16.1232     345.543     2.96327     345.543     
1 1 1 3  11 60 o 15.4076 4.68382 0.751362     2.06396  2.21579      2.01693  4.18057     279.964     0.659842    99.9636     
1 1 1 3  11 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  12 0  o 41.7056 2.30004 9.64332      1.4559   9.64332      1.4559   2.50966     270         6.14526     270         
1 1 1 3  12 1  o 622.311 1.96937 2094.45      18.2396  2123.81      19.4921  557.448     157.265     11.0924     337.265     
1 1 1 3  12 2  o 220.709 1.83481 261.237      6.23201  269.357      6.23881  160.777     21.3692     58.5909     201.369     
1 1 1 3  12 3  o 190.201 1.84001 199.183      5.39087  194.854      5.38704  195.018     220.326     97.6114     220.326     
1 1 1 3  12 4  o 553.809 1.88712 1652.42      16.0928  1688.32      16.0927  589.661     339.351     182.291     339.351     
1 1 1 3  12 5  o 218.072 1.97321 278.04       7.13091  240.634      6.13     237.791     356.696     125.38      356.696     
1 1 1 3  12 6  o 98.3216 2.28039 47.0044      3.42272  58.75        3.44274  25.4167     137.22      41.2122     317.22      
1 1 1 3  12 7  o 233.264 2.35531 284.055      8.44801  309.008      8.46192  170.83      82.3063     62.0838     262.306     
1 1 1 3  12 8  o 351.91  2.50482 672.533      14.3145  676.817      12.7846  320.657     105.108     15.9109     105.108     
1 1 1 3  12 9  o 445.612 2.37789 1087.29      16.322   1076.27      16.3116  492.686     235.696     188.932     235.696     
1 1 1 3  12 10 o 124.062 2.22803 88.4267      4.26101  79.4436      4.23976  79.2591     338.67      33.717      338.67      
1 1 1 3  12 11 o 100.458 2.80973 54.9736      4.33577  55.1975      4.34006  45.1638     125.673     47.9868     305.673     
1 1 1 3  12 12 o 269.952 2.64697 386.111      10.9882  408.335      11.0128  224.179     47.5057     29.1705     227.506     
1 1 1 3  12 13 o 150.164 2.21437 119.101      5.11346  126.674      5.12407  132.15      127.867     16.5336     127.867     
1 1 1 3  12 14 o 308.497 2.52613 504.828      12.606   532.75       11.3188  354.475     168.912     161.903     168.912     
1 1 1 3  12 15 o 431.19  2.18926 1007.22      14.5441  1019.07      14.5281  453.966     186.076     133.868     186.076     
1 1 1 3  12 16 f 180.76  1.89703 173.813      5.27733  182.277      5.2813   85.7172     129.042     0           0           
1 1 1 3  12 17 o 139.377 1.92582 104.982      4.13275  106.722      4.13365  106.545     20.2545     25.0377     200.254     
1 1 1 3  12 18 o 145.17  1.92506 115.02       4.30027  114.66       4.3065   107.849     328.843     35.1692     148.843     
1 1 1 3  12 19 o 186.377 1.88549 187.73       5.40651  190.865      5.41603  171.382     256.053     15.8188     256.053     
1 1 1 3  12 20 o 225.438 1.88208 272.775      6.53109  281.196      6.53512  211.077     163.68      23.6601     163.68      
1 1 1 3  12 21 o 49.9342 2.40225 11.7229      1.81474  15.7498      1.82702  8.11446     114.17      15.9973     294.17      
1 1 1 3  12 22 o 216.646 1.90047 262.094      6.34258  249.65       6.33514  209.52      299.207     38.0895     299.207     
1 1 1 3  12 23 f 122.431 2.03795 82.8484      3.72875  80.6073      3.94881  107.205     67.9325     0           0           
1 1 1 3  12 24 o 372.542 2.02621 753.198      11.6189  760.282      11.6286  365.792     190.617     68.0676     190.617     
1 1 1 3  12 25 o 187.119 2.04006 191.322      5.87436  190.537      5.88216  191.734     85.5736     56.3012     85.5736     
1 1 1 3  12 26 o 113.101 2.01833 69.9157      3.50938  69.6867      3.51534  118.153     244.204     46.5093     244.204     
1 1 1 3  12 27 o 51.742  2.64867 13.7812      2.15381  15.6364      2.01993  25.0451     99.5207     3.47688     99.5207     
1 1 1 3  12 28 o 118.42  2.18465 77.1918      3.98519  75.9354      3.97544  67.2382     182.906     70.2039     2.90605     
1 1 1 3  12 29 o 67.6074 2.40956 23.9849      2.41883  26.075       2.58296  41.8615     21.581      22.8305     201.581     
1 1 1 3  12 30 o 69.7203 2.34451 28.055       2.5115   25.1886      2.50305  45.5554     195.322     21.8518     15.3223     
1 1 1 3  12 31 o 115.815 2.50473 73.3835      4.27523  73.3798      4.64057  83.0884     344.426     34.1808     164.426     
1 1 1 3  12 32 o 58.5864 2.92499 19.6708      2.54964  18.1361      2.68275  52.0807     233.433     14.8543     233.433     
1 1 1 3  12 33 o 88.9304 2.3919  42.4702      3.00138  44.2015      3.52566  69.3854     52.1202     12.0271     232.12      
1 1 1 3  12 34 o 88.8389 3.03287 44.6657      3.90091  42.2906      4.34461  83.5645     340.807     18.5329     340.807     
1 1 1 3  12 35 o 131.621 2.28853 93.5288      4.83459  96.3645      4.42122  125.933     76.3469     24.7136     76.3469     
1 1 1 3  12 36 o 49.5352 2.6989  15.1838      2.03374  12.0535      2.02936  46.5035     82.9244     23.0822     82.9244     
1 1 1 3  12 37 o 58.3001 2.50163 17.7869      2.22508  19.7726      2.24128  39.9063     322.209     17.3286     142.209     
1 1 1 3  12 38 o 164.96  1.99004 150.878      5.0579   147.788      5.05195  156.054     129.552     25.5607     129.552     
1 1 1 3  12 39 o 80.6376 2.31616 38.5851      2.94198  33.3174      2.79528  66.0751     48.913      6.0468      228.913     
1 1 1 3  12 40 o 78.0141 3.0269  35.6556      4.38033  32.4439      2.72563  71.8972     158.864     10.8224     158.864     
1 1 1 3  12 41 o 53.608  2.99026 13.7589      2.56966  18.7245      2.19124  40.5156     348.129     8.83635     168.129     
1 1 1 3  12 42 o 30.5784 3.91468 6.19961      1.85219  4.81403      1.69842  24.2217     331.204     3.02207     331.204     
1 1 1 3  12 43 o 13.4962 4.02231 -0.329279    1.42154  0.687143     1.47425  0.261975    63.7255     7.60614     243.726     
1 1 1 3  12 44 o 87.0073 2.2615  43.6762      3.02228  40.5942      3.02409  91.1747     106.387     34.0998     106.387     
1 1 1 3  12 45 o 17.3834 4.46123 0.89873      1.58891  2.16207      1.5709   7.73489     71.1485     4.20003     251.149     
1 1 1 3  12 46 o 18.4662 4.73317 1.72464      1.65673  2.04811      1.81079  7.6155      256.333     1.80839     76.333      
1 1 1 3  12 47 o 24.5025 4.56498 4.52188      1.8024   3.0641       1.72516  17.4075     235.922     1.1675      235.922     
1 1 1 3  12 48 o 29.6536 5.06307 3.99593      2.33774  7.59207      2.3591   23.3819     262.852     2.24739     262.852     
1 1 1 3  12 49 o 28.4276 5.35469 2.69215      2.38796  8.63954      2.7826   18.0033     258.3       7.86734     78.2996     
1 1 1 3  12 50 o 41.0905 3.88017 10.1825      2.20384  10.7532      2.57156  44.1672     295.522     22.7324     295.522     
1 1 1 3  12 51 o 16.4716 4.91822 0.768129     2.12624  1.36987      2.16324  7.70812     59.981      6.58207     239.981     
1 1 1 3  12 52 o 17.1667 4.82608 1.73055      1.79042  1.56392      2.0387   3.22617     188.926     1.10569     188.926     
1 1 1 3  12 53 o 38.1374 4.24297 9.4826       2.40242  9.73448      2.41652  31.4706     128.717     1.46965     128.717     
1 1 1 3  12 54 o 20.0573 4.84504 1.43528      1.91841  4.23786      1.93952  12.2309     151.315     5.6396      331.315     
1 1 1 3  12 55 o 11.8774 3.93474 -1.02619     1.81003  -0.684592    1.8059   0.457463    209.996     0.234011    29.9957     
1 1 1 3  12 56 o 29.3521 4.85232 6.94666      2.16961  5.94128      2.1448   27.4826     88.8182     10.3383     88.8182     
1 1 1 3  12 57 o 21.5716 5.21097 3.16161      2.22254  4.52851      2.04651  16.1374     69.4594     2.53747     69.4594     
1 1 1 3  12 58 o 12.6653 4.13862 -0.191973    1.87312  -0.350973    1.91651  0.299634    232.734     1.86909     52.7335     
1 1 1 3  12 59 o 30.0187 5.07522 7.82963      2.33384  6.72683      2.30355  23.9623     229.275     3.25997     229.275     
1 1 1 3  12 60 o 13.6815 4.34593 1.89581      1.99428  -1.07177     2.01157  4.57344     325.592     1.37948     145.592     
1 1 1 3  13 0  o 425.341 1.85767 985.267      12.1663  985.267      12.1663  406.172     270         41.4589     270         
1 1 1 3  13 1  o 243.285 1.83607 318.754      6.87668  325.987      6.87971  146.239     22.0282     133.571     202.028     
1 1 1 3  13 2  o 263.547 1.89951 387.792      7.97014  368.939      7.44816  233.759     274.128     8.17838     274.128     
1 1 1 3  13 3  o 263.869 1.83811 370.292      7.46346  388.26       7.47112  220.411     82.554      20.5906     262.554     
1 1 1 3  13 4  o 192.487 1.85685 199.071      5.50076  204.555      5.50626  153.564     313.372     18.4701     133.372     
1 1 1 3  13 5  f 180.772 1.85654 173.076      5.1632   182.971      5.17005  125.122     41.7993     0           0           
1 1 1 3  13 6  o 170.666 2.27802 152.619      6.23078  164.866      5.70414  182.179     26.8091     110.342     26.8091     
1 1 1 3  13 7  o 171.82  2.53829 153.842      7.06129  168.052      6.30591  99.28       239.117     94.9832     59.1165     
1 1 1 3  13 8  o 133.572 2.32784 103.053      4.54779  91.6068      4.97566  57.5013     195.539     107.377     15.5394     
1 1 1 3  13 9  o 266.609 2.15144 374.405      8.81821  400.325      8.8405   282.261     23.2651     97.6615     23.2651     
1 1 1 3  13 10 o 41.4749 3.57867 10.6307      2.2283   8.47853      2.22143  29.8276     21.5308     91.4708     21.5307     
1 1 1 3  13 11 o 175.726 2.6724  174.6        7.23364  162.169      7.22228  166.097     202.931     31.9703     202.931     
1 1 1 3  13 12 f 368.693 2.16656 738.375      12.3008  743.078      12.3002  338.5       156.295     0           0           
1 1 1 3  13 13 o 321.671 2.3737  559.391      11.7544  568.595      11.7608  353.581     260.761     136.147     260.761     
1 1 1 3  13 14 o 168.291 2.56094 151.869      6.24672  156.987      7.01566  189.934     339.652     96.7285     339.652     
1 1 1 3  13 15 o 94.0601 2.31981 51.6656      3.35226  45.0239      3.34587  79.6929     95.1526     39.6577     95.1526     
1 1 1 3  13 16 o 326.061 2.1737  587.896      10.9209  571.187      10.9058  287.154     327.274     7.12414     147.274     
1 1 1 3  13 17 o 206.592 1.88835 227.919      6.0028   237.306      6.01032  206.158     92.8041     50.1939     92.8041     
1 1 1 3  13 18 o 82.0443 2.14375 37.4015      2.60738  36.0945      2.79281  64.6526     18.201      15.3642     18.201      
1 1 1 3  13 19 o 79.0579 2.07977 38.8985      2.51556  29.655       2.50527  55.423      243.251     3.81582     63.2508     
1 1 1 3  13 20 o 217.258 1.89456 264.3        6.34463  250.352      6.32892  204.029     348.662     26.9768     348.662     
1 1 1 3  13 21 o 54.4137 2.33324 18.3064      1.94176  14.2401      1.92732  16.1263     186.942     20.2263     6.94165     
1 1 1 3  13 22 o 200.584 1.91241 206.993      5.88453  232.037      5.91677  187.957     56.2549     25.122      56.2549     
1 1 1 3  13 23 o 101.572 2.04279 62.0301      3.1894   50.8519      3.17211  100.321     228.8       37.2699     228.8       
1 1 1 3  13 24 o 196.373 2.12813 213.982      6.1951   206.695      6.6576   220.579     244.815     98.7577     244.815     
1 1 1 3  13 25 o 273.086 2.03109 407.325      8.54008  406.09       8.54223  253.203     66.4945     24.2621     66.4944     
1 1 1 3  13 26 o 234.214 1.98072 304.163      7.36787  294.198      6.91851  220.937     51.6223     30.2421     51.6223     
1 1 1 3  13 27 o 22.5042 4.286   2.53494      1.57137  3.19892      1.48132  6.64272     58.115      19.0575     58.115      
1 1 1 3  13 28 o 43.7438 3.15971 14.0026      2.04854  7.6416       1.99429  13.5193     270.192     28.6055     90.1923     
1 1 1 3  13 29 o 149.932 2.07172 122.302      4.61873  123.07       4.94301  141.217     268.854     22.7981     268.854     
1 1 1 3  13 30 o 93.3995 2.40482 49.9491      3.3264   45.5779      3.55893  66.3371     303.839     26.6007     123.839     
1 1 1 3  13 31 o 70.4374 2.72521 26.066       2.64738  28.453       3.2334   50.1513     179.871     16.173      359.871     
1 1 1 3  13 32 o 139.352 2.32541 108.312      5.02973  104.191      4.95014  135.417     100.774     30.5568     100.774     
1 1 1 3  13 33 o 64.7702 2.9369  20.6364      2.79363  25.7907      3.02737  46.7218     33.1425     11.6535     213.143     
1 1 1 3  13 34 o 61.3861 2.77805 20.203       2.46089  21.3932      2.76163  38.0193     200.706     24.7737     20.7059     
1 1 1 3  13 35 o 52.2533 2.87467 17.5825      2.29661  12.864       2.25289  39.9062     255.501     3.39768     75.5007     
1 1 1 3  13 36 o 61.7843 2.67233 18.2059      2.63957  24.2343      2.31812  46.8822     68.5978     9.19451     248.598     
1 1 1 3  13 37 o 38.7185 3.94868 7.61651      2.55304  9.56948      1.82245  17.9993     77.4776     26.7756     257.478     
1 1 1 3  13 38 o 21.5868 3.97732 0.650011     1.50297  4.60772      1.54085  8.45815     101.915     3.60214     281.915     
1 1 1 3  13 39 o 127.788 2.05026 90.7373      4.03469  89.0593      4.03405  126.749     120.295     33.7791     120.295     
1 1 1 3  13 40 o 40.5054 3.14675 11.4         1.87959  7.40148      1.89027  37.4682     7.64734     10.8529     7.64734     
1 1 1 3  13 41 o 24.9274 4.27318 3.36507      1.6164   4.07738      1.63611  16.2522     175.295     0.948071    175.295     
1 1 1 3  13 42 o 14.5313 4.15562 0.0756906    1.46389  1.07147      1.46566  0.91857     235.155     10.9976     55.1551     
1 1 1 3  13 43 o 44.5316 3.31792 12.468       2.11329  10.3348      2.31709  36.4394     225.738     1.08506     45.7381     
1 1 1 3  13 44 o 30.0623 4.12799 3.42155      1.86714  7.77356      1.78792  21.5612     301.628     4.44093     121.628     
1 1 1 3  13 45 o 30.1062 4.25683 5.89068      2.0173   5.21682      1.79304  23.565      181.359     0.988674    181.359     
1 1 1 3  13 46 o 60.6364 2.83312 25.1944      2.66919  17.1583      2.53527  51.9437     321.281     2.86561     321.281     
1 1 1 3  13 47 o 47.9702 3.5554  13.7301      2.59629  13.4891      2.57837  39.1059     74.9462     0.409658    254.946     
1 1 1 3  13 48 o 37.5235 4.13063 7.62427      2.27614  9.88913      2.31273  37.7357     334.367     17.0422     334.367     
1 1 1 3  13 49 o 23.4299 5.06236 2.92194      2.04587  4.55104      2.02477  16.8389     125.418     0.32029     125.419     
1 1 1 3  13 50 o 45.09   4.52027 16.3041      2.72404  10.3394      3.06824  32.1045     171.841     9.97672     351.841     
1 1 1 3  13 51 o 37.2358 3.99088 8.32818      2.20826  9.3723       2.21782  31.5286     192.372     3.26059     192.372     
1 1 1 3  13 52 o 32.149  4.58563 9.27931      2.09216  5.03906      2.28303  24.24       190.643     2.22179     10.6432     
1 1 1 3  13 53 o 32.4272 5.02448 9.08179      2.12796  6.26118      2.79593  26.0597     240.656     0.573022    240.655     
1 1 1 3  13 54 o 32.5086 4.91395 5.93041      2.33857  9.72905      2.46914  25.5418     230.834     0.466587    50.8335     
1 1 1 3  13 55 o 24.4591 5.26816 4.64777      2.05866  4.96323      2.26903  21.0127     140.887     6.94159     140.887     
1 1 1 3  13 56 o 16.5    4.86385 1.90172      1.96804  1.61993      2.15051  4.96668     155.45      13.2694     335.45      
1 1 1 3  13 57 o 27.1186 5.07097 5.24149      2.16654  6.47384      2.1591   22.5124     266.678     7.00617     266.678     
1 1 1 3  13 58 o 12.6196 4.14715 -0.497764    1.95944  -0.158369    1.93     0.569695    30.269      5.29053     210.269     
1 1 1 3  13 59 f 17.0161 4.83259 0.89299      2.04451  3.65437      2.05744  10.3624     129.125     0           0           
1 1 1 3  13 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  14 0  o 60.6309 2.04816 20.1572      1.90227  20.1572      1.90227  2.53299     90          16.3128     270         
1 1 1 3  14 1  o 99.1915 1.92105 55.851       2.93311  51.4697      2.92651  62.6539     1.91899     14.4783     181.919     
1 1 1 3  14 2  o 120.728 1.8944  75.8744      3.51526  83.0022      3.52346  97.3651     91.7443     8.64098     91.7443     
1 1 1 3  14 3  o 114.743 1.96557 69.1622      3.57352  74.3819      3.35421  60.2707     244.888     65.3858     64.8879     
1 1 1 3  14 4  o 241.064 1.91338 313.551      7.33059  319.61       6.86211  237.725     14.7208     54.383      14.7208     
1 1 1 3  14 5  o 253.044 1.97329 358.049      7.69426  339.753      7.68038  264.253     205.522     85.8587     205.522     
1 1 1 3  14 6  o 287.225 2.02894 454.441      8.61152  444.54       9.31395  295.143     24.269      83.9396     24.269      
1 1 1 3  14 7  o 133.421 2.19484 96.7722      4.50862  97.2309      4.51011  100.194     268.574     21.4152     88.5744     
1 1 1 3  14 8  o 20.5435 4.00071 1.38592      1.28972  3.35284      1.42413  68.4073     335.677     149.518     335.677     
1 1 1 3  14 9  o 283.176 2.50385 438.85       10.301   435.424      11.4977  284.705     112.462     69.6372     112.462     
1 1 1 3  14 10 o 407.316 2.66119 880.875      16.6728  928.717      16.7023  427.948     249.778     130.543     249.778     
1 1 1 3  14 11 o 90.4229 2.29069 39.8974      3.15593  49.618       3.18737  58.9572     333.969     20.6149     153.969     
1 1 1 3  14 12 o 423.987 2.38982 1003         15.6313  957.383      15.5698  455.745     56.3875     156.333     56.3875     
1 1 1 3  14 13 o 143.075 2.44459 106.02       5.36884  117.431      5.38874  150.389     23.5299     61.3551     23.5299     
1 1 1 3  14 14 f 70.1426 2.4659  29.2634      2.65825  24.6282      2.63827  58.1139     100.993     0           0           
1 1 1 3  14 15 o 136.656 2.23715 105.194      4.71458  98.4925      4.69765  123.38      162.163     15.6728     162.163     
1 1 1 3  14 16 o 58.9762 2.64552 15.8103      2.35677  22.5978      2.36391  20.3647     192.267     32.4114     12.2671     
1 1 1 3  14 17 o 103.721 2.2899  56.0258      3.64293  61.4865      3.65753  83.2351     320.47      1.12371     140.47      
1 1 1 3  14 18 o 90.2821 2.12651 50.7277      3.17658  38.6651      2.73072  46.3418     73.6527     53.5007     253.653     
1 1 1 3  14 19 o 184.286 1.91516 192.326      5.43837  178.081      5.42573  173.19      98.0059     27.2158     98.0059     
1 1 1 3  14 20 o 327.571 1.89591 599.816      9.57075  570.288      9.55197  339.085     49.6052     100.072     49.6052     
1 1 1 3  14 21 o 115.274 1.99966 68.3609      3.53748  76.715       3.55025  111.285     331.966     31.2505     331.966     
1 1 1 3  14 22 f 168.213 2.00463 152.043      5.37819  156.568      4.99329  202.447     309.362     0           0           
1 1 1 3  14 23 f 223.401 1.90881 274.415      6.56791  269.845      6.56489  121.355     337.103     0           0           
1 1 1 3  14 24 o 81.7793 2.27266 36.05        2.85569  37.047       2.85674  66.455      311.327     1.90177     311.327     
1 1 1 3  14 25 o 59.563  2.62928 18.7877      2.32523  20.126       2.47457  39.9047     340.715     2.42952     160.715     
1 1 1 3  14 26 o 135.962 2.05248 99.944       4.41505  101.772      4.17349  140.371     2.35287     49.6696     2.35287     
1 1 1 3  14 27 o 138.358 2.17862 109.029      4.26142  100.044      4.95882  133.64      202.683     30.042      202.683     
1 1 1 3  14 28 o 18.5522 4.70359 2.43937      1.70284  0.298548     1.92752  9.09386     230.877     25.6982     230.877     
1 1 1 3  14 29 o 77.4731 2.64867 34.201       3.15081  31.6581      3.14665  62.1442     178.232     4.3222      358.232     
1 1 1 3  14 30 o 102.983 2.42863 53.879       3.51806  62.4537      4.17847  94.8437     353.045     15.3237     353.045     
1 1 1 3  14 31 o 144.541 2.07442 114.021      4.75261  114.419      4.47709  138.543     51.1416     28.5533     51.1416     
1 1 1 3  14 32 o 19.0608 4.65754 1.84675      1.74058  1.85019      1.58494  7.40253     310.843     24.7713     310.843     
1 1 1 3  14 33 o 103.214 2.52697 59.382       4.15438  57.7236      3.86423  87.9655     121.044     0.300413    121.044     
1 1 1 3  14 34 o 87.3159 2.59741 40.1609      3.76773  43.9014      3.13585  71.6351     14.4182     4.58553     194.418     
1 1 1 3  14 35 o 86.3306 2.30085 42.2685      2.92146  39.7974      3.16974  82.3367     230.124     18.551      230.124     
1 1 1 3  14 36 o 80.3213 2.54095 35.2115      2.98862  36.1403      3.27742  68.5752     178.993     0.505373    178.993     
1 1 1 3  14 37 o 61.7203 2.55617 19.4424      2.49841  22.8977      2.30434  61.6351     271.35      20.5605     271.35      
1 1 1 3  14 38 o 25.2065 4.13357 3.52834      1.57543  3.98101      1.5731   14.7788     227.839     3.19253     47.8389     
1 1 1 3  14 39 o 22.9072 4.32294 2.96292      1.5624   3.28938      1.5471   9.15557     327.018     13.0967     147.018     
1 1 1 3  14 40 o 43.7327 3.1475  11.1891      1.95674  10.5189      2.2022   37.5157     199.945     4.20787     199.944     
1 1 1 3  14 41 o 69.7774 2.41715 25.0989      2.57195  29.2324      2.5964   67.1788     132.06      17.0411     132.06      
1 1 1 3  14 42 o 87.562  2.33382 40.0389      3.01659  45.4972      3.2672   86.1575     144.517     23.9755     144.517     
1 1 1 3  14 43 o 18.8312 4.5216  1.25623      1.59965  2.71977      1.61972  8.0201      60.2961     9.51772     240.296     
1 1 1 3  14 44 o 36.9992 3.44682 7.33627      1.89712  8.74167      1.92231  30.7094     353.042     2.40257     353.042     
1 1 1 3  14 45 o 28.4063 4.25805 5.04874      1.79896  4.91229      1.81044  15.4197     150.534     13.1658     330.534     
1 1 1 3  14 46 o 16.2922 4.58397 0.912782     1.72659  1.35213      1.72849  3.91646     293.162     4.28872     113.162     
1 1 1 3  14 47 o 35.6259 4.51664 5.37222      2.31729  11.131       2.35491  27.9586     41.8288     0.418192    221.829     
1 1 1 3  14 48 o 48.7813 3.29147 13.3436      2.55646  15.0659      2.28362  45.9149     163.792     12.2508     163.792     
1 1 1 3  14 49 o 20.0273 5.5221  3.33016      2.7958   1.96616      2.10595  14.0875     46.5102     4.19802     46.5102     
1 1 1 3  14 50 o 15.7559 4.76009 2.00013      2.2562   -0.561937    1.93934  5.58481     201.558     8.81784     21.5576     
1 1 1 3  14 51 o 24.819  5.10597 5.55948      2.09841  3.43953      2.16368  21.1825     247.585     8.60828     247.585     
1 1 1 3  14 52 o 27.6926 4.9094  4.99487      2.09669  6.15047      2.09937  26.8864     74.4458     12.5003     74.4458     
1 1 1 3  14 53 f 15.2008 4.54116 1.69583      1.8554   0.291217     1.86702  9.0915      123.939     0           0           
1 1 1 3  14 54 o 18.0626 4.94843 0.229157     2.13418  3.92898      2.1722   11.2493     123.908     0.71797     303.908     
1 1 1 3  14 55 o 17.1179 4.9554  2.43289      2.1766   1.68859      1.98166  9.4186      303.195     2.6314      303.195     
1 1 1 3  14 56 o 30.5059 5.08574 6.84091      2.30391  7.77321      2.39936  26.2444     147.42      7.30206     147.42      
1 1 1 3  14 57 o 16.1153 4.7838  -0.315187    1.94335  3.30198      2.27703  3.43572     270.494     2.24684     90.4944     
1 1 1 3  14 58 o 16.1257 4.88535 0.998333     2.04384  2.88841      2.31814  1.4558      13.2586     0.24084     13.2586     
1 1 1 3  14 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  15 0  o 6.36488 2.96916 -0.164919    0.748809 -0.164919    0.748809 19.1741     90          38.6911     90          
1 1 1 3  15 1  o 143.036 1.86007 111.354      4.0959   111.586      4.09805  95.3076     74.3806     52.5742     254.381     
1 1 1 3  15 2  o 159.88  1.86158 150.964      4.58147  128.049      4.56308  114.358     153.9       45.7332     333.9       
1 1 1 3  15 3  o 80.0302 2.17408 35.2136      2.76982  34.7032      2.57654  45.011      330.171     21.9985     150.171     
1 1 1 3  15 4  o 97.6864 2.04419 58.767       3.06388  45.7365      3.04509  64.9743     191.686     23.2818     11.6862     
1 1 1 3  15 5  o 132.258 2.08913 98.2369      4.43394  92.4669      4.07602  120.017     198.458     21.657      198.458     
1 1 1 3  15 6  o 86.5675 1.99745 37.6338      2.55983  44.2634      2.7576   56.3392     24.8856     17.0242     204.886     
1 1 1 3  15 7  o 179.851 2.23138 167.847      6.00653  184.996      6.35416  175.834     217.179     42.3454     217.179     
1 1 1 3  15 8  o 28.3581 3.81942 4.69324      1.60344  4.38831      1.61003  11.7825     80.6324     32.0871     80.6324     
1 1 1 3  15 9  o 61.4308 2.83706 21.2668      2.81411  20.0927      2.52259  19.703      24.2207     0.310464    204.221     
1 1 1 3  15 10 o 180.352 2.2888  178.056      6.63386  176.616      6.06868  123.259     260.942     67.8391     80.942      
1 1 1 3  15 11 o 79.4135 2.47813 35.1598      3.1794   33.7672      2.86366  5.88338     86.7821     142.646     86.7821     
1 1 1 3  15 12 o 259.694 2.38372 355.154      9.51934  380.616      9.53768  239.725     337.635     23.2337     337.635     
1 1 1 3  15 13 o 104.708 2.41594 64.6418      3.68594  55.2615      4.03981  61.6353     49.3972     50.0712     229.397     
1 1 1 3  15 14 o 166.603 2.2052  159.815      5.65864  143.117      5.64412  142.219     57.579      2.051       237.579     
1 1 1 3  15 15 o 168.837 2.20929 160.653      5.74818  150.326      5.73534  129.955     50.5363     31.3558     230.536     
1 1 1 3  15 16 o 90.6339 2.34391 44.866       3.26557  44.8683      3.26603  49.5621     30.3713     46.9708     210.371     
1 1 1 3  15 17 o 146.021 2.241   108.298      5.01104  124.575      5.05122  67.4319     153.574     117.407     333.574     
1 1 1 3  15 18 o 72.4511 2.52135 29.5137      2.8115   27.9269      2.79594  36.513      137.286     39.4431     317.286     
1 1 1 3  15 19 o 81.742  2.57516 36.2198      3.36262  36.8676      3.09564  71.4796     146.812     19.0217     146.812     
1 1 1 3  15 20 o 98.4866 2.18808 55.6826      3.33724  50.3085      3.28721  67.0884     3.96455     30.9919     183.965     
1 1 1 3  15 21 o 127.467 2.23924 82.6683      4.37552  94.8838      4.39651  95.639      157.37      26.8439     337.37      
1 1 1 3  15 22 o 97.8093 2.15299 52.2465      3.09481  52.2292      3.37646  62.2655     172.287     39.5169     352.287     
1 1 1 3  15 23 o 75.8843 2.43969 33.4689      2.56832  29.5926      3.05711  42.6702     0.309514    37.3643     180.31      
1 1 1 3  15 24 f 36.9524 3.55384 7.52424      1.68086  7.7063       2.22019  61.1597     177.458     0           0           
1 1 1 3  15 25 o 57.3466 2.60995 16.6668      2.2839   19.475       2.29045  30.2382     87.2999     27.0531     267.3       
1 1 1 3  15 26 o 65.906  2.99858 22.8247      3.01844  24.9478      3.03138  32.5896     239.075     42.2918     59.0753     
1 1 1 3  15 27 o 76.9239 2.25966 31.8268      2.67014  32.9476      2.67094  69.7233     321.689     13.6354     321.689     
1 1 1 3  15 28 o 156.685 2.21592 130.047      5.53857  138.377      5.12984  157.006     100.149     44.4105     100.149     
1 1 1 3  15 29 o 64.921  2.72578 22.0846      2.69835  24.307       2.72329  65.4587     80.7382     37.4895     80.7382     
1 1 1 3  15 30 f 45.1024 4.00215 9.81723      2.82701  13.161       2.47345  54.3992     289.277     0           0           
1 1 1 3  15 31 o 75.015  2.93579 31.0464      3.86955  31.0548      2.79236  71.4516     93.1908     20.9147     93.1908     
1 1 1 3  15 32 o 157.736 2.13853 142.303      5.20558  130.494      5.17702  140.459     6.68597     9.72295     6.68598     
1 1 1 3  15 33 o 36.2089 3.32405 7.1844       1.87657  7.58331      1.73268  24.463      172.275     9.93117     172.275     
1 1 1 3  15 34 o 55.0497 2.69257 13.8128      2.21875  20.0914      2.26036  54.1626     179.696     19.6108     179.696     
1 1 1 3  15 35 o 102.434 2.17986 57.6024      3.33398  57.9704      3.53268  95.7944     23.1201     16.9357     23.1201     
1 1 1 3  15 36 o 18.1135 4.24047 2.82693      1.45114  0.174231     1.63517  2.44713     32.0554     13.4291     212.055     
1 1 1 3  15 37 o 72.2622 2.82481 32.7181      2.83353  25.7686      3.30933  67.1625     285.518     13.0307     285.518     
1 1 1 3  15 38 o 42.0853 3.34252 8.27477      2.18691  12.0695      1.91914  29.4899     228.375     9.2718      48.3754     
1 1 1 3  15 39 o 54.0588 2.62471 14.1218      2.14145  18.7378      2.16943  36.2099     50.1388     17.5188     230.139     
1 1 1 3  15 40 o 31.7647 3.70833 5.19484      1.71865  6.647        1.77086  29.2301     266.359     10.8649     266.359     
1 1 1 3  15 41 f 44.0256 3.06885 13.3944      2.00798  8.92913      2.01578  30.4809     326.064     0           0           
1 1 1 3  15 42 o 37.5747 3.34358 8.43663      1.89463  7.96734      1.88773  34.4993     69.9552     9.03714     69.9552     
1 1 1 3  15 43 o 26.5305 4.30356 4.40618      1.72419  4.29118      1.71738  14.3056     258.891     11.7341     78.8907     
1 1 1 3  15 44 o 64.6701 2.57665 22.1819      2.53747  25.2388      2.56666  55.3313     2.31966     3.43991     2.31966     
1 1 1 3  15 45 o 62.9149 2.93154 25.1956      2.96381  20.4788      2.68371  60.6326     129.986     17.7212     129.986     
1 1 1 3  15 46 o 50.7634 3.36948 13.7662      2.57632  16.8431      2.60673  38.5294     282.704     6.07397     102.704     
1 1 1 3  15 47 o 19.3916 4.76145 3.17889      1.79951  1.50795      1.78475  11.1469     57.343      2.20712     237.343     
1 1 1 3  15 48 o 17.9546 5.07088 0.739598     2.1612   2.64244      2.18555  4.5365      341.438     17.1768     161.438     
1 1 1 3  15 49 o 18.358  4.9294  1.20262      1.79859  3.00352      2.10287  9.42824     255.3       5.87043     75.2996     
1 1 1 3  15 50 o 13.6641 4.29815 -0.408782    1.93515  0.482426     1.74217  2.37758     349.101     10.2864     169.101     
1 1 1 3  15 51 o 24.1126 4.86197 5.90737      1.9592   2.51885      2.18845  20.6185     347.561     6.1246      347.561     
1 1 1 3  15 52 o 46.5658 3.57032 14.1979      2.65591  13.5199      2.37641  48.0469     229.453     21.2079     229.453     
1 1 1 3  15 53 o 13.7117 4.346   -0.579726    1.98083  0.876163     1.88279  4.68099     332.159     1.83429     152.159     
1 1 1 3  15 54 o 16.7066 4.74601 3.58948      2.10035  -0.989265    2.17955  9.12348     265.968     2.36683     85.9675     
1 1 1 3  15 55 o 13.6767 4.4894  0.722075     2.40117  -1.06326     2.12797  1.14387     141.772     0.946131    321.772     
1 1 1 3  15 56 o 22.0189 5.33943 4.58564      2.26421  3.80513      2.10545  11.5579     284.62      3.81919     284.62      
1 1 1 3  15 57 o 16.3508 4.81993 1.69713      1.99837  2.36674      2.04269  5.71032     293.161     0.338552    113.161     
1 1 1 3  15 58 o 17.3044 4.93643 1.36715      2.10576  3.61327      2.1096   10.0633     328.011     2.72449     148.011     
1 1 1 3  16 0  o 235.652 1.84906 302.586      6.70799  302.586      6.70799  232.975     90          47.1836     90          
1 1 1 3  16 1  o 227.952 1.85588 296.26       6.51691  270.364      6.50259  247.657     75.9689     99.8545     75.9689     
1 1 1 3  16 2  o 75.0273 2.11137 31.2843      2.43613  30.1852      2.4323   50.285      129.622     12.5842     129.622     
1 1 1 3  16 3  o 79.0367 2.10005 31.9625      2.54502  36.3042      2.55011  57.8575     165.892     10.0921     165.892     
1 1 1 3  16 4  o 144.084 1.95553 116.162      4.19126  110.169      4.47205  129.231     42.8582     15.1819     42.8582     
1 1 1 3  16 5  o 105.637 1.9304  64.0883      3.13962  57.6772      3.13145  92.1012     91.3647     16.3729     91.3647     
1 1 1 3  16 6  o 202.443 1.95853 224.001      6.10495  222.746      6.10607  196.887     216.512     43.7002     216.512     
1 1 1 3  16 7  o 156.67  2.14967 133.111      5.23405  134.525      5.13726  157.928     41.4809     51.3965     41.4809     
1 1 1 3  16 8  o 31.6979 3.81918 4.88512      1.86882  6.45179      1.68342  37.419      346.289     106.493     346.289     
1 1 1 3  16 9  o 68.9801 2.64536 23.4591      2.77432  28.7526      2.8048   39.4683     192.053     1.94245     12.0529     
1 1 1 3  16 10 o 123.175 2.23581 82.9794      4.24242  82.6001      4.23216  98.5031     130.124     7.4779      310.124     
1 1 1 3  16 11 f 162.028 2.41766 139.381      6.02555  147.087      6.03584  164.305     263.749     0           0           
1 1 1 3  16 12 o 234.806 2.29043 299.483      7.88967  301.932      8.65863  211.349     170.947     14.3193     170.947     
1 1 1 3  16 13 o 161.744 2.2146  133.199      5.49388  152.482      5.5207   152.009     319.968     28.7681     319.968     
1 1 1 3  16 14 o 226.816 2.18816 288.781      7.65061  272.487      7.63037  187.973     134.735     18.9313     314.735     
1 1 1 3  16 15 o 51.4058 2.78719 15.7599      2.17259  13.3178      2.19159  3.16462     11.2787     66.106      191.279     
1 1 1 3  16 16 o 109.293 2.32784 69.4194      3.91711  61.1668      3.89866  110.452     48.8561     43.753      48.8561     
1 1 1 3  16 17 o 230.373 2.19779 288.783      7.79573  290.212      7.79753  192.143     134.225     17.3808     314.226     
1 1 1 3  16 18 o 64.7005 2.65882 22.5119      2.61789  23.3594      2.65723  31.1828     323.809     38.414      143.809     
1 1 1 3  16 19 o 148.21  2.26548 120.097      5.16935  119.599      5.17151  153.234     54.5865     54.6055     54.5865     
1 1 1 3  16 20 o 173.963 2.25141 161.187      6.0233   169.123      6.03672  156.536     89.7207     13.5099     89.7207     
1 1 1 3  16 21 f 169.66  2.10244 155.862      5.49384  158.223      5.49145  103.716     176.67      0           0           
1 1 1 3  16 22 o 49.6398 2.82782 14.1099      2.15647  13.0139      2.12831  21.8955     200.716     2.49857     200.716     
1 1 1 3  16 23 o 170.297 1.96828 157.862      5.15752  158.591      5.16562  149.292     111.217     5.39678     111.217     
1 1 1 3  16 24 o 65.1326 2.44521 23.4665      2.3845   23.0265      2.5001   58.8334     175.617     20.1728     175.617     
1 1 1 3  16 25 o 20.2446 4.29207 2.49461      1.44124  2.0648       1.45369  29.906      77.1484     84.1406     77.1484     
1 1 1 3  16 26 o 64.7887 2.60107 21.4848      2.66673  24.6643      2.47425  32.5627     296.996     40.8587     116.996     
1 1 1 3  16 27 o 226.001 2.66937 282.186      11.0328  277.555      7.1608   216.065     232.903     41.9363     232.903     
1 1 1 3  16 28 o 33.3486 3.72961 5.77903      1.91917  6.80933      1.75793  8.7853      238.901     8.74847     58.9012     
1 1 1 3  16 29 o 195.607 2.47355 203.056      7.42283  216.692      7.47414  199.74      213.035     63.5953     213.035     
1 1 1 3  16 30 o 41.3604 3.37056 9.1304       2.10113  10.0295      2.10976  28.1255     358.128     0.218329    178.128     
1 1 1 3  16 31 o 38.4645 3.23515 8.52184      1.88955  8.07387      1.86717  15.0765     208.168     28.8042     28.1683     
1 1 1 3  16 32 o 97.9873 2.20074 52.812       3.20158  52.7645      3.42724  98.8652     73.2569     32.4705     73.2569     
1 1 1 3  16 33 o 123.864 2.19678 81.8426      3.89428  87.0102      4.47599  126.777     120.805     42.5553     120.805     
1 1 1 3  16 34 o 40.746  3.13614 8.5039       1.81883  10.2399      2.05527  35.711      345.269     7.71692     345.269     
1 1 1 3  16 35 o 34.2539 3.49099 6.57965      1.79427  6.84879      1.78131  23.7536     15.086      5.30328     195.086     
1 1 1 3  16 36 o 39.4255 3.17154 9.87784      1.83702  7.80884      1.90747  39.4254     306.582     19.763      306.582     
1 1 1 3  16 37 o 51.2045 2.98419 16.9616      2.10312  12.7242      2.44502  49.8619     259.367     16.746      259.367     
1 1 1 3  16 38 o 35.1193 3.78305 6.79121      1.97274  7.58391      1.98549  29.2458     352.83      4.20909     352.83      
1 1 1 3  16 39 o 24.144  4.49649 3.4314       1.79636  3.64111      1.59959  17.0086     239.637     0.386387    239.637     
1 1 1 3  16 40 o 33.9442 3.55131 7.06604      1.79078  6.40583      1.80493  26.4212     39.4259     1.48845     219.426     
1 1 1 3  16 41 o 13.7613 4.03702 -0.561537    1.46253  1.09617      1.46385  1.4343      262.635     8.96891     82.6347     
1 1 1 3  16 42 o 25.1345 4.41383 3.26554      1.69527  4.63197      1.73192  15.3581     357.833     5.80143     177.833     
1 1 1 3  16 43 o 70.7639 2.46952 30.1836      2.68235  26.4104      2.67367  62.3108     228.933     7.51756     228.933     
1 1 1 3  16 44 f 13.9886 4.03385 -2.01131     1.62659  1.752        1.55764  8.86068     236.505     0           0           
1 1 1 3  16 45 o 29.6509 4.65289 4.16051      2.07914  7.38689      2.11318  26.7652     45.4728     11.0071     45.4728     
1 1 1 3  16 46 o 14.9699 4.38749 0.943749     1.65535  0.667566     1.66046  4.13604     238.729     8.36291     58.7292     
1 1 1 3  16 47 o 13.3193 4.21052 -1.68658     1.95425  0.70658      1.75851  3.26643     217.498     1.55209     37.498      
1 1 1 3  16 48 o 19.9365 5.17567 2.82433      2.08529  2.5713       2.08227  3.47444     197.662     22.8859     17.6622     
1 1 1 3  16 49 o 23.5183 4.59662 6.06916      1.94216  1.60005      1.95787  17.4943     122.807     1.6432      122.807     
1 1 1 3  16 50 o 24.4589 5.0712  4.32008      2.12716  4.6028       1.95331  13.6597     172.279     10.1738     352.279     
1 1 1 3  16 51 o 24.961  5.40445 6.20931      2.25819  3.67695      2.55268  19.609      155.167     2.06049     155.167     
1 1 1 3  16 52 o 21.2856 4.93972 1.09823      1.98455  5.79549      2.23251  7.52094     207.71      16.9697     27.71       
1 1 1 3  16 53 o 17.3428 4.73752 0.335301     1.97979  3.49271      1.94841  7.51093     213.771     8.85923     33.7711     
1 1 1 3  16 54 o 18.5142 4.94306 1.08152      2.10277  3.96805      2.04592  10.2563     172.146     0.30269     352.146     
1 1 1 3  16 55 o 19.3875 5.19297 2.04641      2.04775  4.21709      2.2925   8.15876     276.858     5.7423      96.858      
1 1 1 3  16 56 o 26.1466 5.58729 8.94039      2.65909  4.12548      2.75673  18.8867     135.589     0.657747    135.589     
1 1 1 3  16 57 o 15.1189 4.79065 1.95594      2.4735   0.836976     2.11753  6.25014     317.482     6.42755     137.482     
1 1 1 3  17 0  o 13.184  4.60611 1.39686      1.12173  1.39686      1.12173  101.491     270         212.956     270         
1 1 1 3  17 1  o 224.302 1.98965 274.115      6.87232  274.419      6.8722   200.575     198.894     13.1179     198.894     
1 1 1 3  17 2  o 315.644 1.99089 534.975      9.67492  551.351      9.67718  320.461     259.261     90.4029     259.261     
1 1 1 3  17 3  o 231.875 1.91898 282.111      6.62542  304.257      7.0808   207.551     271.217     13.5485     271.217     
1 1 1 3  17 4  o 132.874 1.95534 87.9661      3.85917  104.896      4.13901  138.618     137.495     62.3337     137.495     
1 1 1 3  17 5  o 98.7804 2.07866 52.4032      3.1561   54.0995      3.16006  72.8096     241.906     10.4894     61.9065     
1 1 1 3  17 6  o 45.0759 2.68571 12.4525      1.70156  9.95414      1.93491  0.0473687   208.805     37.9561     28.8059     
1 1 1 3  17 7  o 109.954 2.15944 69.2507      3.67229  62.7889      3.62861  73.0147     299.314     34.8499     119.314     
1 1 1 3  17 8  o 110.616 2.47978 70.5548      4.21896  63.2029      4.20906  90.3482     55.9235     0.853221    55.923      
1 1 1 3  17 9  o 86.1875 2.33974 37.8873      3.08984  43.3683      3.0989   71.7144     155.519     16.1597     155.519     
1 1 1 3  17 10 o 272.148 2.38756 403.787      10.0084  404.377      10.0031  243.53      205.003     13.4816     205.003     
1 1 1 3  17 11 o 148.678 2.45412 119.646      5.60875  121.6        5.62842  138.021     183.853     24.4007     183.853     
1 1 1 3  17 12 o 206.595 2.19464 239.545      6.98687  226.162      6.97294  182.786     168.803     8.48894     168.803     
1 1 1 3  17 13 o 183.818 2.21651 182.645      6.26728  185.999      6.28054  148.114     180.87      20.9411     0.870207    
1 1 1 3  17 14 o 186.157 2.21424 189.284      6.35133  188.81       6.34344  138.968     345.994     43.8304     165.993     
1 1 1 3  17 15 o 130.026 2.51629 92.1592      5.03719  92.5507      5.02979  144.716     218.748     73.9474     218.748     
1 1 1 3  17 16 o 90.1757 2.41557 46.0702      3.35277  42.8459      3.34069  55.6575     305.944     37.1394     125.944     
1 1 1 3  17 17 o 55.3972 2.83533 17.0099      2.40024  16.6985      2.40419  29.5692     14.6012     16.3758     194.601     
1 1 1 3  17 18 o 61.1182 2.73569 20.8819      2.55525  20.1         2.56673  41.3579     25.7472     1.17439     205.747     
1 1 1 3  17 19 o 88.8326 2.47568 42.04        3.37116  44.2972      3.38731  62.2874     227.172     20.3564     47.1717     
1 1 1 3  17 20 o 116.438 2.35149 75.4768      4.20847  72.7147      4.21417  111.411     260.33      28.7324     260.33      
1 1 1 3  17 21 o 130.062 2.33451 91.274       4.66385  93.6243      4.67936  124.036     265.051     28.2759     265.051     
1 1 1 3  17 22 o 191.713 2.35823 203.39       7.26367  198.27       6.65352  181.639     124.685     33.5555     124.685     
1 1 1 3  17 23 o 273.082 2.48372 405.098      11.4159  410.525      9.35507  259.929     96.7489     47.97       96.7489     
1 1 1 3  17 24 o 159.628 2.33441 136.993      6.19935  141.702      5.21609  159.663     86.9526     46.8951     86.9526     
1 1 1 3  17 25 o 136.036 2.14214 103.187      4.4877   99.1841      4.48576  134.246     50.0134     38.1197     50.0135     
1 1 1 3  17 26 o 66.4709 2.62543 24.7055      2.68168  23.9019      2.67121  48.47       144.511     9.14594     324.511     
1 1 1 3  17 27 o 153.318 2.19401 127.963      5.34076  129.447      5.01167  142.617     220.296     24.2326     220.296     
1 1 1 3  17 28 o 66.4804 2.55739 21.3618      2.49743  27.5149      2.70943  48.5523     134.101     11.0422     314.101     
1 1 1 3  17 29 o 51.2149 2.91539 13.4841      2.34584  15.6686      2.18574  31.3126     247.129     18.9899     67.1286     
1 1 1 3  17 30 o 61.2395 2.88835 20.7393      2.62086  20.8755      2.79305  43.2678     166.171     14.0769     346.171     
1 1 1 3  17 31 o 37.8676 3.28891 8.20382      1.72232  7.97409      2.01191  25.5158     133.84      7.51986     313.84      
1 1 1 3  17 32 f 30.6125 3.71765 5.65462      1.57532  5.14371      1.78701  20.441      104.584     0           0           
1 1 1 3  17 33 o 42.2925 2.85974 8.9941       1.82922  11.109       1.83155  33.9787     115.219     0.760542    115.219     
1 1 1 3  17 34 o 36.3954 3.11503 7.74669      1.70001  7.27112      1.71804  30.0796     73.939      4.59943     73.939      
1 1 1 3  17 35 o 49.582  2.70206 14.8179      2.03301  12.7517      2.04972  55.4695     184.528     33.4958     184.528     
1 1 1 3  17 36 o 40.9496 3.17844 8.98634      1.9654   10.1046      1.97085  33.2617     261.458     1.51752     261.458     
1 1 1 3  17 37 o 96.7357 2.28179 51.4356      3.38567  52.4897      3.4027   84.5242     303.308     6.64779     303.308     
1 1 1 3  17 38 o 43.8072 3.17403 11.879       1.9747   10.0896      2.20081  37.9553     24.511      4.61466     24.511      
1 1 1 3  17 39 o 13.8569 4.22947 -0.415012    1.67024  0.461351     1.65192  2.1598      223.663     7.871       43.6634     
1 1 1 3  17 40 o 27.5431 4.43872 4.84241      1.94904  4.54349      1.73243  11.6255     30.5033     19.4093     210.503     
1 1 1 3  17 41 o 79.2636 2.3426  33.2988      2.83746  37.3593      2.86234  79.0727     356.58      27.1534     356.58      
1 1 1 3  17 42 o 35.4315 3.81475 5.10603      1.91414  10.3385      1.94075  24.7846     359.09      5.97999     179.09      
1 1 1 3  17 43 o 69.3708 2.59447 27.8819      2.86148  26.9836      2.66049  62.0522     87.981      10.2015     87.981      
1 1 1 3  17 44 o 30.2473 4.67061 6.1635       2.10402  5.757        2.12527  28.3495     244.382     19.1901     244.382     
1 1 1 3  17 45 o 49.0647 3.3436  14.3646      2.6761   14.5413      2.28544  43.6921     167.297     8.0609      167.297     
1 1 1 3  17 46 o 18.4053 4.82506 3.57908      2.06275  0.249754     1.87679  8.4562      79.0104     9.15992     259.01      
1 1 1 3  17 47 o 14.3231 4.45835 -0.10342     1.8718   0.61848      1.95238  4.28819     279.286     3.95391     99.2865     
1 1 1 3  17 48 o 28.9454 4.63782 6.00326      1.9945   5.56558      2.04553  22.5086     27.2124     1.15926     27.2124     
1 1 1 3  17 49 o 14.6844 4.46114 1.03718      1.83816  0.473373     1.80057  5.86788     315.648     0.900138    315.648     
1 1 1 3  17 50 o 21.3622 5.06238 3.14885      1.98222  3.83469      1.96016  16.1908     298.838     2.40807     298.838     
1 1 1 3  17 51 o 46.1411 4.05037 16.2082      2.90139  12.6001      2.70768  38.176      294.987     2.78582     294.987     
1 1 1 3  17 52 f 17.7416 4.94952 0.98852      1.99058  3.50831      2.15107  16.0781     12.9132     0           0           
1 1 1 3  17 53 o 13.6168 4.28002 -1.35163     1.89719  1.58769      1.90103  2.79783     2.7915      5.89733     182.792     
1 1 1 3  17 54 o 17.6632 4.97089 3.27248      2.12175  1.39839      2.02581  5.65457     254.83      7.0754      74.8305     
1 1 1 3  17 55 o 17.76   4.94586 3.93215      2.12117  1.09235      2.09718  8.38426     249.343     2.86192     69.343      
1 1 1 3  17 56 o 13.7058 4.42981 -0.908247    1.97783  1.80419      2.2493   4.3646      10.035      7.54664     190.035     
1 1 1 3  18 0  o 138.027 2.21032 103.977      4.69253  103.977      4.69253  150.761     90          60.0072     90          
1 1 1 3  18 1  f 205.151 2.15746 237.694      6.81723  221.521      6.80796  198.08      210.857     0           0           
1 1 1 3  18 2  o 171.938 2.01942 164.229      5.34822  158.194      5.34394  146.447     32.791      0.56223     212.791     
1 1 1 3  18 3  o 154.608 1.9522  129.066      4.4942   131.595      4.799    166.068     226.31      73.2862     226.31      
1 1 1 3  18 4  o 98.7663 2.17892 53.363       3.44865  53.1497      3.16541  66.0449     286.976     29.4758     106.976     
1 1 1 3  18 5  o 165.364 2.01021 150.832      5.12231  147.395      5.11494  135.638     302.013     10.9789     122.013     
1 1 1 3  18 6  o 159.755 1.94787 138.171      4.63373  140.14       4.94686  132.771     136.293     6.73264     316.293     
1 1 1 3  18 7  o 83.2965 2.09928 42.008       2.68529  33.9808      2.66995  53.7001     316.699     26.092      136.699     
1 1 1 3  18 8  o 178.024 2.3     177.816      6.59876  168.075      6.01061  141.486     179.676     22.6309     359.676     
1 1 1 3  18 9  o 130.705 2.6113  89.1004      4.98478  97.6833      5.51894  74.3355     130.164     73.6796     310.164     
1 1 1 3  18 10 o 274.952 2.39284 430.87       10.1518  394.64       10.0981  278.558     247.243     81.7275     247.243     
1 1 1 3  18 11 o 200.346 2.31719 220.909      6.81771  217.128      7.45937  214.741     323.505     86.8251     323.505     
1 1 1 3  18 12 f 215.63  2.20661 266.304      7.33656  241.333      7.30549  158.179     216.993     0           0           
1 1 1 3  18 13 o 24.4212 4.53384 4.24325      1.66952  2.47357      1.86728  13.8973     165.597     41.7316     165.597     
1 1 1 3  18 14 o 15.7465 4.31782 0.135233     1.5317   1.39377      1.53491  28.1505     246.066     63.8946     246.066     
1 1 1 3  18 15 o 100.642 2.3784  56.039       3.6795   54.6793      3.68164  84.6323     351.88      5.20893     351.88      
1 1 1 3  18 16 o 233.775 2.21469 300.729      7.97407  295.846      7.97075  215.311     208.593     28.8023     208.593     
1 1 1 3  18 17 o 79.3048 2.55383 37.5128      3.10978  31.4809      3.09412  59.7885     260.372     7.02992     80.3723     
1 1 1 3  18 18 o 154.057 2.27819 133.221      5.40918  126.032      5.39713  137.81      213.73      13.6805     213.73      
1 1 1 3  18 19 o 91.9982 2.70745 51.3674      4.20267  41.6373      3.46196  58.9781     341.171     35.4444     161.171     
1 1 1 3  18 20 o 100.946 2.53594 53.7041      4.07867  57.931       3.77021  87.4487     139.629     6.40123     139.629     
1 1 1 3  18 21 o 120.732 2.36091 80.3517      4.38655  79.1714      4.38336  140.066     233.298     79.8481     233.298     
1 1 1 3  18 22 o 161.392 2.28432 143.619      5.68386  141.289      5.67024  143.05      203.404     11.4478     203.404     
1 1 1 3  18 23 o 89.5075 2.50035 42.9619      3.43061  44.9479      3.44739  78.0127     350.478     9.20276     350.478     
1 1 1 3  18 24 o 79.6812 2.64598 30.8607      3.40063  39.1936      2.969    68.1213     66.4307     7.07694     66.4307     
1 1 1 3  18 25 o 41.0602 3.92324 11.1744      2.06897  7.96892      2.56882  23.462      154.869     8.00943     334.869     
1 1 1 3  18 26 o 80.1235 2.96074 33.8546      3.43287  37.1087      3.84909  63.7283     144.673     4.55333     324.673     
1 1 1 3  18 27 o 98.9923 2.62262 50.0485      3.61298  58.1021      4.372    95.0846     250.092     25.0821     250.092     
1 1 1 3  18 28 o 72.7769 2.50488 30.8201      2.88962  27.6716      2.70859  56.6226     218.785     7.16216     38.7852     
1 1 1 3  18 29 o 79.3444 2.49838 37.6186      3.1754   32.0407      2.91497  60.9742     333.131     10.6999     153.131     
1 1 1 3  18 30 o 24.5803 4.27455 3.69774      1.53665  3.40774      1.68042  12.091      173.369     6.2769      353.369     
1 1 1 3  18 31 o 24.8527 4.1596  2.81438      1.57779  4.49765      1.5902   10.6115     343.114     12.8335     163.114     
1 1 1 3  18 32 o 22.7326 4.24705 2.68328      1.44052  3.44902      1.58424  7.5293      302.178     15.2579     122.178     
1 1 1 3  18 33 o 18.4478 4.13496 2.7876       1.3979   0.921212     1.39058  4.10753     260.817     5.71738     80.8168     
1 1 1 3  18 34 o 21.8012 4.31941 2.8761       1.5356   2.7836       1.48005  3.80472     59.2588     23.1841     239.259     
1 1 1 3  18 35 o 13.0582 3.83412 0.941989     1.33425  -0.675237    1.32192  2.80811     73.965      17.2353     73.965      
1 1 1 3  18 36 o 18.2837 4.37308 2.27341      1.49231  1.44059      1.46523  3.967       145.475     17.1489     325.475     
1 1 1 3  18 37 o 17.5216 4.43637 1.72547      1.54442  1.54767      1.49121  7.21689     237.47      7.90633     57.4698     
1 1 1 3  18 38 o 40.9147 3.3226  8.3803       2.02097  11.1184      2.05261  26.6293     77.3934     12.8386     257.393     
1 1 1 3  18 39 o 67.6642 2.47768 25.1543      2.56639  26.4698      2.57821  54.7556     184.897     1.82553     4.89713     
1 1 1 3  18 40 o 41.2732 3.53475 9.83581      2.18472  10.2389      2.2167   33.4359     75.1892     1.52042     75.1892     
1 1 1 3  18 41 o 18.9286 4.75555 1.75604      1.89876  2.3505       1.62553  6.9739      194.003     8.55216     14.0031     
1 1 1 3  18 42 o 19.8724 4.73402 2.12564      1.77445  2.77871      1.68269  10.2338     224.642     0.43606     44.6418     
1 1 1 3  18 43 o 28.1363 4.79436 6.29569      2.07519  4.27368      2.07297  23.5292     23.0412     6.5126      23.0412     
1 1 1 3  18 44 o 38.4809 3.89819 8.84997      2.1418   9.674        2.34698  35.1451     159.92      9.68828     159.92      
1 1 1 3  18 45 o 15.0012 4.54255 1.06523      1.95357  0.217293     1.79763  5.79128     279.631     5.36683     99.6306     
1 1 1 3  18 46 o 17.4835 4.90646 1.26457      2.12401  2.15938      1.87844  5.74867     76.83       11.9045     256.83      
1 1 1 3  18 47 o 16.2405 4.69042 1.45934      1.79214  1.30444      1.92644  5.78456     65.2206     0.912261    65.2206     
1 1 1 3  18 48 o 34.3765 4.23156 7.72556      2.10994  8.18016      2.20777  28.8104     94.2583     3.63546     94.2583     
1 1 1 3  18 49 o 12.3969 4.04789 -0.566625    1.82013  -0.409689    1.79509  1.12126     78.2016     0.375426    258.202     
1 1 1 3  18 50 o 18.2636 4.80755 0.737911     1.99232  3.74152      1.94778  11.3726     129.793     0.242166    309.793     
1 1 1 3  18 51 o 16.2935 4.81262 1.01813      2.19025  2.16293      1.93175  7.00914     149.716     6.89014     329.716     
1 1 1 3  18 52 o 16.5096 4.90965 0.739544     2.17288  2.64376      2.17182  5.5669      186.569     1.01109     6.56911     
1 1 1 3  18 53 o 15.2892 4.73352 0.493941     2.01749  1.83338      2.24239  2.57621     213.127     4.83111     33.1271     
1 1 1 3  18 54 o 17.4755 5.00087 1.56818      2.21936  3.39729      2.10189  8.0253      140.409     1.18418     320.409     
1 1 1 3  18 55 o 14.466  4.54508 1.39444      2.07614  0.832258     1.98046  2.40223     184.908     0.586534    184.908     
1 1 1 3  19 0  o 272.042 2.0005  403.383      8.37835  403.383      8.37835  273.286     270         74.4939     270         
1 1 1 3  19 1  o 336.383 2.00882 607.068      10.3974  627.168      10.4119  282.801     328.129     15.2731     148.129     
1 1 1 3  19 2  o 64.0219 2.49482 21.1367      2.43893  23.7832      2.45539  31.9936     191.48      33.0102     11.4795     
1 1 1 3  19 3  o 75.372  2.31801 32.3163      2.56879  29.822       2.78249  13.8167     281.609     95.1111     101.609     
1 1 1 3  19 4  o 123.299 2.00236 79.8188      3.90708  86.056       3.68053  123.9       171.46      44.9029     171.46      
1 1 1 3  19 5  o 76.6216 2.15244 30.9757      2.45317  33.1967      2.61675  1.83499     242.455     129.769     242.455     
1 1 1 3  19 6  o 166.122 2.02435 156.035      5.17706  145.087      5.17482  177.362     243.154     75.1027     243.154     
1 1 1 3  19 7  o 67.1562 2.51966 24.9207      2.57072  24.4635      2.62103  43.2228     284.479     13.7827     104.479     
1 1 1 3  19 8  o 95.4902 2.37204 44.2183      3.29423  55.7803      3.66889  98.4865     246.025     50.1903     246.025     
1 1 1 3  19 9  o 188.292 2.43253 192.849      7.05035  194.269      7.05581  160.696     184.355     0.710242    184.355     
1 1 1 3  19 10 o 93.35   2.40526 50.1868      3.44575  45.1575      3.45009  71.4832     354.674     7.56717     174.674     
1 1 1 3  19 11 o 178.003 2.23018 170.038      6.10304  175.86       6.12198  195.569     29.8431     91.0888     29.8431     
1 1 1 3  19 12 f 183.539 2.23298 179.731      6.29982  188.071      6.32036  75.619      73.9481     0           0           
1 1 1 3  19 13 o 45.3554 3.14677 11.078       2.1739   11.6574      2.16352  18.7309     293.413     18.2887     113.413     
1 1 1 3  19 14 o 108.84  2.59913 63.5103      4.36723  66.1376      4.33043  91.7787     312.208     3.04618     312.208     
1 1 1 3  19 15 o 159.436 2.52348 139.547      6.76482  138.338      5.57293  133.205     280.603     4.25803     100.603     
1 1 1 3  19 16 o 185.865 2.34372 193.416      6.99623  184.186      6.41841  184.767     295.264     53.2636     295.264     
1 1 1 3  19 17 o 158.685 2.27806 133.616      5.55381  141.659      5.57641  164.946     322.978     61.5904     322.978     
1 1 1 3  19 18 o 145.528 2.30271 113.795      5.14639  117.793      5.17348  132.449     317.848     19.105      317.848     
1 1 1 3  19 19 o 160.632 2.28387 139.148      5.64591  143.097      5.65185  169.125     223.651     67.3249     223.651     
1 1 1 3  19 20 o 28.3435 4.39939 7.71833      2.08207  1.86012      1.89448  1.05045     186.457     19.2092     6.45705     
1 1 1 3  19 21 o 17.684  4.53145 0.195789     1.68152  2.3269       1.68548  7.63856     240.228     21.7356     240.228     
1 1 1 3  19 22 o 13.6511 4.18481 -0.307473    1.59653  -0.0834808   1.65568  7.43342     324.11      18.1521     324.11      
1 1 1 3  19 23 o 90.5806 3.14326 48.0388      3.79533  42.7156      4.80749  90.885      25.6328     33.9914     25.6328     
1 1 1 3  19 24 o 54.3272 3.26159 18.5421      2.66392  14.4401      2.69927  37.4553     294.391     10.3828     114.391     
1 1 1 3  19 25 o 94.029  2.73011 50.1318      3.55184  47.484       4.27835  87.8225     160.026     19.7372     160.026     
1 1 1 3  19 26 o 39.813  4.32279 8.1021       2.44295  10.1787      2.68522  29.2607     328.317     0.105977    148.317     
1 1 1 3  19 27 o 33.9165 4.27275 5.49223      2.40063  7.89853      1.74969  19.2644     141.907     12.5462     321.907     
1 1 1 3  19 28 o 23.0459 4.13299 3.58328      1.50738  2.66611      1.44347  9.9599      258.921     5.46806     78.9208     
1 1 1 3  19 29 o 39.679  3.23176 6.95212      1.89117  11.0847      1.87985  28.0329     85.8565     6.12614     265.857     
1 1 1 3  19 30 o 28.7079 3.75692 3.9164       1.63263  5.73341      1.53837  17.7484     301.011     5.31759     121.011     
1 1 1 3  19 31 o 32.8039 3.52649 6.96576      1.73377  5.47853      1.70047  26.3107     150.399     5.07636     150.399     
1 1 1 3  19 32 o 80.4906 2.28203 34.7662      2.72768  37.1033      2.91855  76.9591     353.79      20.9        353.79      
1 1 1 3  19 33 o 19.0934 4.31877 2.06131      1.45364  2.13556      1.4168   6.57359     211.236     6.20064     31.2364     
1 1 1 3  19 34 o 19.3051 4.24881 2.91931      1.45849  1.36229      1.43368  9.15952     180.06      2.96153     0.0602251   
1 1 1 3  19 35 o 69.4413 2.38385 24.5365      2.53146  29.4369      2.53464  55.0072     154.832     4.87705     334.832     
1 1 1 3  19 36 o 22.0841 4.35653 3.39374      1.55244  2.5766       1.54069  14.285      146.206     0.749824    326.206     
1 1 1 3  19 37 o 36.8566 3.82936 5.67038      2.07746  10.8232      1.88976  19.3151     163.206     19.9967     343.206     
1 1 1 3  19 38 o 49.8533 2.89869 14.0222      2.25113  14.4647      2.15648  37.0563     106.115     6.28696     286.115     
1 1 1 3  19 39 o 34.2007 3.83588 7.39154      1.94726  6.67945      1.95385  29.0514     67.2418     6.62761     67.2418     
1 1 1 3  19 40 o 21.3583 4.55599 1.88889      1.67115  3.84301      1.69697  7.89383     244.993     3.13845     244.993     
1 1 1 3  19 41 f 30.1035 4.74844 5.48115      1.97444  6.37739      2.31772  22.7233     67.8493     0           0           
1 1 1 3  19 42 o 70.3141 3.16174 26.0795      3.55269  32.5364      3.14448  64.5827     314.086     14.9649     314.086     
1 1 1 3  19 43 o 26.7868 4.72495 4.05425      1.96844  5.71762      1.95576  17.0405     291.92      6.7771      111.92      
1 1 1 3  19 44 o 21.2075 4.88962 4.25414      1.93699  1.86034      1.91786  12.8204     229.638     4.09948     49.6384     
1 1 1 3  19 45 o 22.2426 5.11016 2.43329      2.1872   4.59824      2.01889  12.724      183.876     5.69419     3.87557     
1 1 1 3  19 46 o 21.1468 4.81916 4.42798      1.89219  1.91005      1.88785  12.7687     166.267     4.63955     346.267     
1 1 1 3  19 47 f 20.8063 5.04621 3.80819      2.04744  2.71644      1.8697   16.0687     316.316     0           0           
1 1 1 3  19 48 o 19.9098 5.07565 2.69723      2.09209  3.33632      1.92726  11.8283     259.443     4.10098     79.4426     
1 1 1 3  19 49 o 16.8612 4.77881 1.65851      1.89333  2.13407      1.88948  8.15415     325.94      5.23971     145.94      
1 1 1 3  19 50 o 13.6222 4.38296 0.337654     1.89324  -0.0568782   2.15385  4.27107     297.435     5.63814     117.435     
1 1 1 3  19 51 o 18.5227 4.99698 3.42513      2.04733  1.94011      1.97847  7.56187     258.152     0.770486    258.152     
1 1 1 3  19 52 o 15.661  4.74375 2.71847      2.21743  -0.142284    2.01026  3.43594     257.919     6.383       77.9186     
1 1 1 3  19 53 o 12.3774 4.15855 -0.826594    2.13717  -0.492414    2.16818  1.39138     278.395     6.3397      98.3948     
1 1 1 3  19 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  20 0  o 143.025 2.06708 111.631      4.5483   111.631      4.5483   156.021     90          66.0312     90          
1 1 1 3  20 1  o 100.511 2.1363  49.7387      3.27844  60.9022      3.30379  65.6726     59.5491     33.566      239.549     
1 1 1 3  20 2  o 100.885 2.62407 56.4167      3.61712  54.9516      4.4644   80.1791     58.7737     3.74295     238.774     
1 1 1 3  20 3  o 106.099 2.44379 61.4562      3.75714  61.6266      4.20526  87.9414     14.9315     2.50727     14.9315     
1 1 1 3  20 4  o 141.557 2.08182 105.797      4.52433  112.946      4.54876  99.2853     4.40398     39.4195     184.404     
1 1 1 3  20 5  o 99.4528 2.31457 49.2599      3.49983  59.0828      3.56303  94.858      93.4267     30.3381     93.4267     
1 1 1 3  20 6  o 47.3617 2.55372 12.6257      1.89881  12.0291      1.7983   4.126       140.801     61.5058     320.801     
1 1 1 3  20 7  o 54.4947 2.43523 15.2976      2.09703  17.3034      1.95045  36.7614     181.858     9.24531     181.858     
1 1 1 3  20 8  o 136.513 2.42462 101.923      4.87758  101.747      5.302    107.483     271.658     14.139      91.6578     
1 1 1 3  20 9  o 277.764 2.30821 421.826      9.39503  420.96       10.3274  289.057     86.4371     104.725     86.4371     
1 1 1 3  20 10 o 46.8772 3.26484 12.9263      2.46587  11.4139      2.18879  12.6679     130.973     5.67283     130.973     
1 1 1 3  20 11 o 110.067 2.64549 64.8412      4.86002  67.853       4.03417  85.884      320.396     11.5765     140.396     
1 1 1 3  20 12 o 164.003 2.35143 149.781      6.17704  144.253      5.6976   157.603     218.473     38.3878     218.473     
1 1 1 3  20 13 o 52.1783 2.95217 14.666       2.33779  15.3622      2.36629  21.4926     13.098      37.5881     193.098     
1 1 1 3  20 14 o 170.894 2.26043 162.315      5.95007  157.001      5.94573  157.174     22.4308     25.8327     22.4308     
1 1 1 3  20 15 o 25.6968 4.44848 2.74861      1.75887  4.87998      1.79343  7.08321     223.201     39.4682     223.201     
1 1 1 3  20 16 o 102.053 2.51689 58.2968      4.14933  55.9223      3.74577  76.6978     48.6075     15.3743     228.608     
1 1 1 3  20 17 o 15.3235 4.36149 0.912633     1.59315  0.268649     1.58302  13.1165     90.3139     32.6279     90.3139     
1 1 1 3  20 18 o 78.9531 2.53746 36.7538      3.07226  31.8287      3.06936  50.0446     67.4946     28.3687     247.495     
1 1 1 3  20 19 o 21.4304 4.90322 2.91837      1.72837  1.98712      2.02552  3.18703     85.7857     15.392      85.7857     
1 1 1 3  20 20 o 92.0559 2.45631 46.3882      3.46287  46.7371      3.48858  74.8409     212.017     1.72844     32.0171     
1 1 1 3  20 21 o 91.1985 2.46177 43.5165      3.43244  48.0206      3.46427  71.4585     107.549     7.57118     287.549     
1 1 1 3  20 22 o 33.1034 4.357   6.362        2.15025  6.29309      2.12835  15.0317     341.055     13.7781     161.055     
1 1 1 3  20 23 o 77.9836 2.82184 34.2337      3.38703  33.0985      3.36726  72.7519     53.8129     18.1633     53.8129     
1 1 1 3  20 24 o 90.3488 2.48378 49.1385      3.45546  41.1389      3.42406  81.9026     52.334      14.0936     52.334      
1 1 1 3  20 25 o 37.6367 4.65369 10.2177      2.54699  6.51421      2.58428  25.6737     27.9336     6.27315     207.934     
1 1 1 3  20 26 o 170.201 2.66447 162.129      6.59872  158.695      7.33815  176.77      22.104      68.1014     22.1041     
1 1 1 3  20 27 o 41.8248 4.00167 13.219       2.57517  7.3382       2.32772  28.277      172.571     9.30754     352.571     
1 1 1 3  20 28 f 34.3114 4.72201 9.28575      2.27481  4.94         2.48563  27.6494     158.091     0           0           
1 1 1 3  20 29 o 98.4194 2.46078 58.9827      3.59113  48.8231      3.80485  81.0358     295.636     1.27952     115.636     
1 1 1 3  20 30 o 12.7984 3.72284 0.614888     1.22539  0.0848328    1.14708  1.98682     5.09388     10.4517     5.09389     
1 1 1 3  20 31 o 89.8564 2.35737 43.5673      3.25285  46.1888      3.25751  86.6347     354.881     25.0724     354.881     
1 1 1 3  20 32 o 24.9607 4.19826 2.62715      1.62916  4.92149      1.61914  16.8762     22.1124     1.00048     202.112     
1 1 1 3  20 33 o 19.2735 4.31052 1.38183      1.42354  2.9294       1.52501  10.2492     322.055     4.72928     142.055     
1 1 1 3  20 34 o 17.0526 4.29362 1.77545      1.43571  1.34282      1.41179  6.24533     183.252     37.5073     183.252     
1 1 1 3  20 35 o 33.3279 3.5079  6.45732      1.75824  6.61322      1.73201  27.5868     228.417     4.61281     228.417     
1 1 1 3  20 36 o 15.4434 4.24726 0.798942     1.45329  1.28625      1.4594   2.47406     351.691     8.73436     171.691     
1 1 1 3  20 37 o 88.8838 2.26867 44.8853      3.09001  43.7665      3.1094   90.2747     185.289     35.6745     185.289     
1 1 1 3  20 38 o 109.958 2.17148 66.51        3.67816  69.1404      3.66691  112.225     50.6775     44.7493     50.6775     
1 1 1 3  20 39 o 13.9315 4.18193 0.55217      1.62005  0.257873     1.50173  0.406813    291.134     12.9173     111.134     
1 1 1 3  20 40 o 40.1044 3.67387 11.3077      2.25962  8.4071       2.1402   35.8166     68.4128     9.20929     68.4128     
1 1 1 3  20 41 o 11.9666 3.91247 -0.735153    1.62752  -0.950848    1.76639  0.83567     207.313     8.96899     27.3125     
1 1 1 3  20 42 o 16.5491 4.78582 0.359337     1.86586  2.15667      2.07733  7.70117     116.908     4.66351     296.908     
1 1 1 3  20 43 o 18.243  5.08465 2.70584      2.12096  1.19171      2.17087  9.39735     302.243     0.938146    302.243     
1 1 1 3  20 44 o 35.2717 5.00583 7.46934      2.91002  10.1084      2.27498  26.2216     164.786     1.96632     344.786     
1 1 1 3  20 45 o 17.8124 4.91445 2.82455      2.10595  1.36938      1.81472  10.0726     207.986     4.4395      207.986     
1 1 1 3  20 46 o 19.8236 4.90794 2.13906      1.88305  3.63992      1.89762  13.1126     295.748     1.07605     115.748     
1 1 1 3  20 47 o 22.6669 5.04445 4.46055      1.97308  3.5582       1.98319  14.5316     272.61      9.97187     272.61      
1 1 1 3  20 48 o 17.5232 4.82885 2.87834      1.91925  1.46003      1.91211  10.187      260.803     1.75693     260.803     
1 1 1 3  20 49 o 16.3071 4.74534 2.21767      1.93659  1.20638      1.93833  7.29289     2.13064     0.966945    182.131     
1 1 1 3  20 50 o 21.2554 4.47937 -0.272802    2.01369  6.53928      2.08747  11.7475     84.5276     3.30014     84.5276     
1 1 1 3  20 51 o 16.8829 4.81429 -0.166117    2.02275  3.80408      2.18511  4.94925     88.6308     1.57503     268.631     
1 1 1 3  20 52 o 13.8153 4.40878 1.02041      1.99285  0.404744     1.9969   3.64493     238.32      5.72817     58.32       
1 1 1 3  20 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  21 0  o 112.031 2.26513 68.6198      3.90049  68.6198      3.90049  96.4002     270         1.88005     270         
1 1 1 3  21 1  o 115.35  2.19671 71.2178      4.01655  74.2672      3.76967  109.682     292.005     28.8432     292.005     
1 1 1 3  21 2  o 67.7024 2.44034 22.7866      2.68969  27.5715      2.31117  53.9599     315.715     2.37331     315.715     
1 1 1 3  21 3  o 97.0253 2.38118 48.2077      3.91482  54.9369      3.06947  83.621      33.4593     8.49816     33.4593     
1 1 1 3  21 4  o 65.3003 2.58344 22.0651      2.58016  24.7709      2.58827  30.425      306.921     43.6244     126.921     
1 1 1 3  21 5  o 258.556 2.3046  363.849      8.73713  366.917      9.59738  258.453     84.0094     79.3155     84.0094     
1 1 1 3  21 6  o 33.0941 3.48356 6.44911      1.76375  5.84815      1.6787   13.933      155.159     75.3469     155.159     
1 1 1 3  21 7  o 117.359 2.45581 77.8145      5.01308  73.0315      3.8039   111.709     116.465     29.7359     116.465     
1 1 1 3  21 8  o 52.1862 2.75249 11.1208      1.90383  19.4602      2.48014  38.6432     85.0125     5.09453     85.0125     
1 1 1 3  21 9  o 102.667 2.39144 58.7138      3.77699  56.7448      3.77342  80.41       237.664     8.10294     57.6641     
1 1 1 3  21 10 f 55.8566 2.81304 15.7389      2.38863  18.7056      2.40554  32.4608     18.2258     0           0           
1 1 1 3  21 11 o 74.5321 2.55489 30.2222      2.91808  30.7755      2.92892  74.2696     158.499     35.5785     158.499     
1 1 1 3  21 12 o 118.863 2.33313 77.0799      4.26245  77.7081      4.27018  110.969     145.576     26.1569     145.576     
1 1 1 3  21 13 o 83.857  2.49    42.3514      3.20257  35.0247      3.19223  69.1688     222.087     3.70983     222.087     
1 1 1 3  21 14 o 79.1001 2.62906 34.1396      3.0761   34.6684      3.30789  67.44       335.88      8.83517     335.88      
1 1 1 3  21 15 o 39.3455 3.87591 9.95781      2.03522  7.58614      2.41454  12.2033     88.8667     31.1981     268.867     
1 1 1 3  21 16 o 30.5585 4.05663 6.63488      1.81827  4.17521      1.83457  6.43428     195.694     21.8262     15.6937     
1 1 1 3  21 17 o 57.6605 2.80479 18.5103      2.47706  18.2545      2.47331  34.9601     170.282     20.9303     350.282     
1 1 1 3  21 18 o 44.2418 3.3563  11.3148      2.36477  10.6024      2.13648  19.4016     268.745     28.8636     88.7446     
1 1 1 3  21 19 o 45.0362 3.14919 11.3823      2.14931  11.2721      2.1614   28.172      312.582     12.1605     132.582     
1 1 1 3  21 20 o 51.7048 2.96599 14.163       2.32236  15.6149      2.35705  33.8439     233.532     14.1314     53.5324     
1 1 1 3  21 21 o 123.462 2.56753 79.808       4.85353  88.6063      4.89006  94.3333     174.534     17.1749     354.534     
1 1 1 3  21 22 o 67.0023 2.94806 22.2924      2.99283  27.8504      3.03422  36.5868     177.083     37.0448     357.083     
1 1 1 3  21 23 o 49.1839 3.2315  13.7903      2.30696  13.4159      2.52192  37.3801     92.2226     3.5619      272.223     
1 1 1 3  21 24 o 63.4818 3.39494 19.7437      3.24703  25.8466      3.29645  54.8507     69.4147     6.79873     69.4147     
1 1 1 3  21 25 o 14.3261 4.33238 0.908195     1.75365  -1.40315     1.81709  5.01207     311.765     23.345      311.765     
1 1 1 3  21 26 o 84.9024 2.78235 38.1276      3.63667  42.381       3.60895  76.472      165.779     13.5179     165.779     
1 1 1 3  21 27 o 34.463  5.20637 6.89052      2.51371  7.6027       2.84544  17.337      165.614     18.2035     345.614     
1 1 1 3  21 28 o 51.9511 3.34363 13.472       2.60732  17.3487      2.6507   31.5934     255.312     20.6205     75.3124     
1 1 1 3  21 29 o 83.3257 2.77762 38.0058      3.54958  39.8327      3.55699  61.0948     128.358     14.7407     308.358     
1 1 1 3  21 30 o 11.3692 3.73954 -0.614729    1.62169  -2.19221     1.5967   2.87035     72.3788     14.7441     72.3788     
1 1 1 3  21 31 o 44.0962 3.50905 13.52        2.14184  9.1564       2.37988  46.117      293.096     22.8863     293.096     
1 1 1 3  21 32 f 29.9242 5.30256 6.51862      3.23947  4.94065      1.67556  21.7312     38.2741     0           0           
1 1 1 3  21 33 o 77.3105 2.39746 34.3838      2.74614  32.7267      2.93797  76.2676     119.422     26.9961     119.421     
1 1 1 3  21 34 o 61.3623 2.57765 19.2736      2.32871  23.4596      2.51749  60.3453     304.48      22.438      304.48      
1 1 1 3  21 35 o 39.117  3.14557 9.30567      1.85641  8.48241      1.86129  36.4931     314.531     13.6234     314.531     
1 1 1 3  21 36 o 19.6585 4.04636 4.15428      1.55821  0.13309      1.53389  5.5001      239.687     15.1326     59.6873     
1 1 1 3  21 37 o 58.5126 2.65844 17.9943      2.36842  21.3152      2.38325  54.8406     84.1331     16.4502     84.1331     
1 1 1 3  21 38 o 14.4945 4.16418 -0.329251    1.54769  1.54095      1.51552  1.93598     234.292     2.30301     54.2923     
1 1 1 3  21 39 o 15.577  4.47552 0.877463     1.68731  1.23544      1.67873  4.76375     51.2127     8.56743     231.213     
1 1 1 3  21 40 o 13.8658 4.21638 -0.402106    1.67093  0.990542     1.65035  2.52263     314.236     12.2225     134.236     
1 1 1 3  21 41 o 12.9728 4.07332 -0.786594    1.65427  0.543495     1.6529   2.04966     255.265     2.8117      75.2648     
1 1 1 3  21 42 o 23.1343 5.09611 3.13724      2.04922  4.63188      2.03995  10.0657     227.325     13.4083     47.3252     
1 1 1 3  21 43 o 14.1788 4.41997 0.00939039   1.86831  0.68663      1.90512  4.69168     321.507     6.00526     141.507     
1 1 1 3  21 44 o 18.0339 4.92419 0.0899243    1.82853  4.09907      2.32346  9.37766     276.913     6.16472     96.9135     
1 1 1 3  21 45 f 19.6477 4.82437 1.12745      2.13957  4.15444      1.85666  9.24175     17.2233     0           0           
1 1 1 3  21 46 o 17.2032 4.78723 2.36601      1.89027  1.69605      1.84417  8.46886     99.6796     4.92106     279.68      
1 1 1 3  21 47 o 16.6668 4.70323 3.12914      1.97496  0.306437     1.89917  2.41223     37.7949     0.990186    37.7949     
1 1 1 3  21 48 f 12.5998 4.10278 -0.633438    1.79408  0.183583     1.88699  1.69888     286.657     0           0           
1 1 1 3  21 49 o 11.8938 3.94537 0.268414     1.87931  -2.11044     1.85199  0.275254    180.627     2.54732     180.627     
1 1 1 3  21 50 o 26.042  5.3427  5.59617      2.37399  6.27809      2.19701  17.6718     312.78      0.653011    132.781     
1 1 1 3  21 51 o 15.3794 4.69943 1.52528      2.02795  1.77899      2.04715  5.92639     175.673     0.182616    175.673     
1 1 1 3  21 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  22 0  o 41.3251 2.8883  9.60391      1.79381  9.60391      1.79381  3.16557     90          62.0321     270         
1 1 1 3  22 1  o 18.5766 4.27691 1.96251      1.47955  1.74564      1.32694  6.8754      178.39      20.0422     178.39      
1 1 1 3  22 2  o 76.8386 2.54901 28.235       3.18991  36.8964      2.69237  36.6473     76.9532     50.5468     256.953     
1 1 1 3  22 3  o 117.712 2.21176 79.8329      4.14807  72.0008      3.8647   115.162     220.743     38.2652     220.743     
1 1 1 3  22 4  o 85.5323 2.31954 43.6348      3.18876  36.7326      2.91066  58.0154     186.35      21.9902     6.35014     
1 1 1 3  22 5  o 149.396 2.15135 118.311      5.09704  125.963      4.7827   127.43      303.303     6.92596     303.303     
1 1 1 3  22 6  o 38.6249 3.82444 11.4118      2.01761  5.84259      2.15705  9.21131     340.661     75.892      340.661     
1 1 1 3  22 7  o 87.2777 2.50251 42.74        3.18715  40.9291      3.50894  43.7138     103.365     54.974      283.365     
1 1 1 3  22 8  o 48.5156 3.28988 10.734       2.32991  15.679       2.47645  22.2906     202.819     27.6506     22.8188     
1 1 1 3  22 9  o 16.5488 4.37381 1.89716      1.60767  0.203747     1.50932  6.02841     252.407     16.9003     252.407     
1 1 1 3  22 10 o 15.0293 4.2867  -0.571333    1.41877  1.4606       1.75667  0.416931    207.686     1.10237     207.686     
1 1 1 3  22 11 o 86.5073 2.68583 39.1133      3.22043  43.3528      3.91199  66.199      340.813     7.87609     160.813     
1 1 1 3  22 12 o 106.686 2.37728 65.4034      3.90716  59.6884      3.88864  117.315     86.8397     61.8215     86.8397     
1 1 1 3  22 13 o 141.107 2.29918 106.027      4.98492  112.523      5.00404  143.609     43.464      53.9321     43.464      
1 1 1 3  22 14 o 112.914 2.35307 72.1298      4.08756  68.0589      4.08374  110.003     28.8268     34.5637     28.8268     
1 1 1 3  22 15 o 95.0826 2.40941 48.8779      3.52098  50.6633      3.52232  74.6514     132.966     6.72925     312.966     
1 1 1 3  22 16 o 50.1573 2.95641 14.5623      2.25774  13.4617      2.26427  29.3887     256.145     20.1617     76.1448     
1 1 1 3  22 17 o 125.5   2.31881 87.0478      4.4775   86.3824      4.47725  100.454     40.0133     7.13836     220.013     
1 1 1 3  22 18 o 58.4645 2.899   17.9425      2.662    20.143       2.50448  49.5295     228.624     5.45025     228.624     
1 1 1 3  22 19 o 44.1438 3.1983  10.4525      2.14366  11.4821      2.13822  38.0492     223.069     8.35466     223.069     
1 1 1 3  22 20 o 30.0533 4.79642 5.78081      2.30884  4.98634      2.02726  13.4547     274.311     17.0522     94.3114     
1 1 1 3  22 21 o 114.097 2.6043  72.3554      4.56952  72.0094      4.56978  99.488      232.566     10.7148     232.565     
1 1 1 3  22 22 o 79.9091 2.5563  33.314       3.12646  37.6692      3.13972  65.8635     275.235     1.19391     275.235     
1 1 1 3  22 23 o 33.4082 5.12975 6.71771      2.70122  6.79846      2.42449  21.2794     106.484     6.74609     286.484     
1 1 1 3  22 24 o 41.6091 3.83335 9.42482      2.56912  10.5912      2.16033  36.9402     166.513     10.8194     166.513     
1 1 1 3  22 25 f 55.0678 3.11603 19.0488      2.77091  15.3237      2.47008  40.1889     194.665     0           0           
1 1 1 3  22 26 o 31.2518 4.76445 7.29112      2.2522   4.64009      2.21998  16.8502     331.466     13.2262     151.466     
1 1 1 3  22 27 o 78.0832 2.76334 37.1325      3.15356  31.4035      3.42046  61.2002     212.63      4.9276      32.6296     
1 1 1 3  22 28 f 37.22   4.07727 8.13945      2.26206  8.24446      2.26055  35.7149     167.061     0           0           
1 1 1 3  22 29 o 42.5189 4.02829 7.48585      2.42088  14.376       2.49392  18.2432     238.276     31.6789     58.2765     
1 1 1 3  22 30 o 54.8722 3.51792 14.2489      3.03169  20.9694      2.6216   38.4138     209.336     11.3786     29.3358     
1 1 1 3  22 31 o 36.1683 4.05283 7.85708      2.17922  7.88058      2.18491  30.1931     289.069     5.70454     289.069     
1 1 1 3  22 32 o 28.1653 5.05723 4.63133      2.34671  5.55263      2.07563  18.6992     126.467     2.79008     306.467     
1 1 1 3  22 33 f 38.823  4.45736 9.05939      2.53179  9.51207      2.61532  27.7349     42.7194     0           0           
1 1 1 3  22 34 o 46.6852 3.70771 8.90969      2.544    17.6183      2.23987  40.8779     265.442     9.10695     265.442     
1 1 1 3  22 35 f 10.4983 3.40925 -1.79791     1.28381  -0.0546822   1.3099   12.2668     30.5396     0           0           
1 1 1 3  22 36 o 21.3363 4.41228 2.0565       1.58076  3.81555      1.59909  12.5121     22.0006     2.10328     202.001     
1 1 1 3  22 37 f 20.0053 4.61652 2.82281      1.64439  2.41319      1.63049  10.3205     187.374     0           0           
1 1 1 3  22 38 f 14.3329 4.28002 0.893855     1.64185  0.339543     1.61086  5.00965     231.154     0           0           
1 1 1 3  22 39 o 19.0326 4.81388 2.53754      1.8129   2.22953      1.76165  9.9168      120.375     5.10589     300.375     
1 1 1 3  22 40 o 44.3789 3.37917 12.3941      2.26489  11.8042      2.27878  43.6489     209.611     19.043      209.611     
1 1 1 3  22 41 o 34.7406 4.196   8.17252      2.18932  7.79678      2.1391   30.1494     151.163     7.6692      151.163     
1 1 1 3  22 42 o 14.8428 4.55831 0.817376     2.01116  0.638122     1.859    7.2894      192.246     1.11882     12.2459     
1 1 1 3  22 43 o 16.7641 4.72803 2.66792      1.84741  0.398338     2.07421  9.03692     151.687     2.70427     331.687     
1 1 1 3  22 44 o 19.9668 4.6979  4.9159       1.96792  0.643586     1.94364  14.1396     237.39      4.77746     237.39      
1 1 1 3  22 45 o 13.2935 4.20426 1.18035      1.81893  -1.17278     1.85545  3.53216     140.369     6.57253     320.369     
1 1 1 3  22 46 o 21.0066 5.33904 2.95021      2.2321   4.52788      2.24746  9.01851     250.211     11.282      70.2112     
1 1 1 3  22 47 o 19.2931 5.23418 3.53332      2.24477  2.6198       2.13034  6.47248     307.169     11.0651     127.169     
1 1 1 3  22 48 o 12.4766 4.09515 -0.248099    1.91196  -0.387231    1.8588   0.138132    301.965     3.31745     121.965     
1 1 1 3  22 49 o 18.0556 5.10302 3.08205      2.01976  2.74957      2.31327  8.66513     215.883     0.88222     215.883     
1 1 1 3  22 50 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  23 0  o 132.648 1.97304 96.1871      4.02619  96.1871      4.02619  133.007     90          44.4158     90          
1 1 1 3  23 1  o 152.683 2.00067 126.952      4.56468  128.329      4.8403   172.649     337.479     94.6689     337.479     
1 1 1 3  23 2  o 84.3507 2.21735 41.3354      2.87218  36.8519      2.87077  62.8352     342.674     10.5105     162.674     
1 1 1 3  23 3  o 41.7944 3.35731 10.4127      1.91295  9.17035      2.27435  20.7704     350.339     18.9726     170.339     
1 1 1 3  23 4  f 103.246 2.64199 61.986       3.68499  55.508       4.58841  79.4001     264.289     0           0           
1 1 1 3  23 5  o 13.0833 3.94692 0.093476     1.30775  -0.0571694   1.49842  6.80366     251.154     17.4427     251.154     
1 1 1 3  23 6  o 77.8652 2.70641 33.9416      3.29759  32.9856      3.17277  74.6633     9.48121     25.8953     9.48121     
1 1 1 3  23 7  o 76.3119 2.33617 29.3868      2.80526  34.8052      2.63957  59.8943     200.818     2.70492     20.8175     
1 1 1 3  23 8  o 40.898  4.27306 8.4864       1.94343  10.6991      3.22324  17.9974     280.504     25.0487     100.504     
1 1 1 3  23 9  o 56.1455 2.97853 18.3037      2.39554  16.7485      2.68859  57.1681     91.2189     32.3357     91.2189     
1 1 1 3  23 10 f 33.6477 3.7462  8.21765      1.83445  4.90122      1.83395  49.0182     24.3968     0           0           
1 1 1 3  23 11 o 73.7035 2.56101 27.3544      2.88556  32.7923      2.89141  48.4659     60.6362     22.5349     240.636     
1 1 1 3  23 12 f 82.3202 2.66551 32.1121      3.46934  43.2709      3.15332  50.3767     121.666     0           0           
1 1 1 3  23 13 o 122.156 2.45042 84.4796      4.83732  80.2093      4.36977  99.3869     329.356     2.51134     149.356     
1 1 1 3  23 14 o 31.2214 4.47969 5.16612      2.29151  6.26552      1.84721  11.2348     1.87253     24.0439     181.873     
1 1 1 3  23 15 o 41.132  3.40654 9.55966      2.18947  9.59774      2.04015  18.728      149.73      27.006      329.73      
1 1 1 3  23 16 o 47.3629 3.07922 10.8341      2.19676  14.482       2.20277  34.0328     242.388     6.27715     62.3879     
1 1 1 3  23 17 o 36.363  3.59538 8.22995      1.94487  6.92716      1.95635  17.2521     353.884     21.3282     173.884     
1 1 1 3  23 18 o 48.6085 3.05867 14.0139      2.26244  12.5782      2.26266  28.0004     118.458     21.1667     298.458     
1 1 1 3  23 19 o 31.2454 4.42682 4.94757      2.04561  6.67149      2.06385  16.1174     252.419     13.6759     72.4192     
1 1 1 3  23 20 o 23.8872 4.49705 5.22078      1.77002  1.33796      1.96446  11.5885     116.894     5.03771     296.894     
1 1 1 3  23 21 o 61.8742 2.95663 23.4505      2.65199  19.6582      2.89908  55.9861     39.4517     13.3439     39.4517     
1 1 1 3  23 22 o 91.6254 3.37652 43.189       5.01063  52.0828      4.35242  92.3712     229.942     36.3548     229.942     
1 1 1 3  23 23 o 60.9971 3.23005 18.4228      3.19069  23.9231      2.68347  45.5791     179.939     6.71817     359.939     
1 1 1 3  23 24 o 20.3011 4.90743 1.6343       1.98401  2.89508      1.79231  8.44747     197.861     7.622       17.8614     
1 1 1 3  23 25 f 22.4874 5.14543 2.22844      2.04189  3.79259      2.09387  24.4202     214.071     0           0           
1 1 1 3  23 26 o 24.9623 4.65439 2.33007      1.87333  5.36422      1.92483  8.03575     89.6506     21.5785     269.651     
1 1 1 3  23 27 o 50.6997 3.20062 16.6071      2.42905  13.023       2.47407  33.2007     197.014     14.5337     17.0135     
1 1 1 3  23 28 o 15.2218 4.51342 0.0448698    1.72116  0.965747     1.86382  2.42869     336.503     7.18605     156.503     
1 1 1 3  23 29 o 87.6154 2.77862 41.305       3.7272   45.9871      3.74334  77.5091     273.33      13.9125     273.33      
1 1 1 3  23 30 o 24.2105 5.34092 3.13038      2.37576  4.35941      2.11817  14.805      208.712     4.85501     208.712     
1 1 1 3  23 31 o 42.9464 4.08439 11.1673      2.85099  11.122       2.38001  39.3779     236.335     13.5461     236.335     
1 1 1 3  23 32 o 67.1282 2.91528 29.2009      2.98641  22.8753      2.97383  59.6415     116.357     12.6921     116.357     
1 1 1 3  23 33 o 17.3804 4.92891 0.847488     2.15859  1.8343       1.92048  3.49683     309.868     14.0535     129.868     
1 1 1 3  23 34 o 19.1026 5.22767 3.09116      2.26933  0.886749     2.26142  8.78174     296.075     0.224032    116.075     
1 1 1 3  23 35 o 16.2335 4.90698 1.62345      2.20694  -0.261446    2.24864  5.33428     326.649     8.00706     146.649     
1 1 1 3  23 36 f 17.6692 4.98425 2.46272      1.95527  0.51785      2.34254  12.3419     257.711     0           0           
1 1 1 3  23 37 o 28.786  4.61343 5.44445      1.99528  5.73901      2.00042  24.7437     304.333     8.07405     304.333     
1 1 1 3  23 38 o 16.8998 4.86709 1.22687      1.67836  1.90831      2.29482  5.40646     312.799     9.72227     132.799     
1 1 1 3  23 39 o 43.1247 3.58023 11.2383      2.23862  12.1286      2.42641  42.9996     276.392     20.1332     276.392     
1 1 1 3  23 40 o 21.4114 4.79466 4.75691      1.9103   1.82696      1.906    16.339      269.156     3.80121     269.156     
1 1 1 3  23 41 o 16.8169 4.74193 1.07132      1.89259  2.37811      1.87339  9.00373     349.594     2.84573     349.594     
1 1 1 3  23 42 o 14.391  4.42634 -0.410264    1.77399  1.64566      1.9665   5.15442     108.667     5.02639     288.667     
1 1 1 3  23 43 o 18.3583 4.88833 2.10243      1.86677  2.91869      1.91447  10.8392     142.556     3.27596     142.556     
1 1 1 3  23 44 o 16.6834 4.409   -1.19278     1.8713   3.7863       1.8491   8.83766     122.341     0.245232    302.34      
1 1 1 3  23 45 o 19.2423 4.97302 4.06916      2.02286  1.73133      2.00264  9.54434     90.3265     0.369028    270.326     
1 1 1 3  23 46 o 17.6573 4.94455 1.60992      2.02641  3.08483      2.04062  5.30101     154.622     4.33865     334.622     
1 1 1 3  23 47 o 15.9533 4.84877 2.11699      2.00395  1.23954      2.37489  4.59621     330.93      2.63976     150.93      
1 1 1 3  23 48 o 13.6771 4.47738 -0.123267    2.16987  0.899038     2.29573  3.18692     169.13      1.26065     349.13      
1 1 1 3  23 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  24 0  o 112.424 2.31043 69.3624      3.99218  69.3624      3.99218  96.5464     90          7.26901     90          
1 1 1 3  24 1  o 77.484  2.62285 35.4691      3.01992  31.0458      3.19474  57.4153     58.0007     10.4228     238.001     
1 1 1 3  24 2  o 40.9345 3.02606 10.0175      1.83914  8.78324      1.90545  34.0531     94.3534     8.25497     94.3534     
1 1 1 3  24 3  o 23.2685 4.25298 2.6022       1.54348  3.74495      1.55309  4.95055     65.9487     19.4455     245.949     
1 1 1 3  24 4  o 87.7495 2.3167  40.3549      3.23706  44.608       2.98832  78.8978     62.4317     15.5917     62.4317     
1 1 1 3  24 5  o 103.3   2.32154 57.8491      3.63572  59.8238      3.74096  92.7671     308.528     17.1587     308.529     
1 1 1 3  24 6  o 30.5204 3.6973  7.47233      1.54065  3.53822      1.67651  5.8663      173.081     34.1026     353.081     
1 1 1 3  24 7  f 67.5208 2.30475 23.9131      2.46343  26.4717      2.29817  49.8182     200.183     0           0           
1 1 1 3  24 8  o 47.9751 3.6643  13.3718      1.95039  12.732       3.15457  23.729      342.134     28.3545     162.134     
1 1 1 3  24 9  o 38.3389 5.53915 8.56223      2.27284  9.07161      3.96662  21.3433     74.2562     15.4079     254.256     
1 1 1 3  24 10 o 64.136  3.53206 23.056       2.63986  23.3504      4.10157  49.5608     53.0079     3.39922     233.008     
1 1 1 3  24 11 o 60.4816 2.91055 20.026       2.5509   20.8384      2.83504  53.6159     92.5136     11.5171     92.5136     
1 1 1 3  24 12 f 47.6067 3.05702 12.738       2.21348  12.736       2.21983  41.5464     353.966     0           0           
1 1 1 3  24 13 o 28.513  4.16524 5.7471       1.76859  3.88642      1.77096  16.6828     152.31      5.14566     332.31      
1 1 1 3  24 14 o 16.083  4.37566 0.534227     1.52298  1.51447      1.57288  1.67495     66.0787     18.1348     66.0787     
1 1 1 3  24 15 o 48.077  3.13782 13.0228      2.34261  13.0843      2.24957  32.374      48.0085     10.6128     228.008     
1 1 1 3  24 16 o 94.9333 2.44944 48.5096      3.55773  51.6161      3.59004  92.8554     190.692     32.3768     190.692     
1 1 1 3  24 17 o 17.6498 4.62534 1.37049      1.73389  1.62464      1.61328  2.54827     218.408     7.71018     38.4084     
1 1 1 3  24 18 o 30.5999 4.50482 6.97986      2.05767  4.34146      2.05891  15.9812     274.644     12.7561     94.6441     
1 1 1 3  24 19 o 69.9727 2.83094 27.4175      3.19087  27.5354      2.87395  61.4132     116.873     10.9582     116.873     
1 1 1 3  24 20 o 33.0485 4.41098 5.95239      2.17685  7.12739      2.14157  21.9194     26.8784     5.47494     206.878     
1 1 1 3  24 21 o 25.141  5.22503 3.87723      2.12662  3.92874      2.18644  13.15       181.506     9.22293     1.5058      
1 1 1 3  24 22 o 19.2129 4.80006 3.36379      1.99888  0.269271     1.83193  9.74822     254.824     0.641974    74.8236     
1 1 1 3  24 23 o 31.1612 4.56595 4.90118      2.21653  7.01754      2.01668  20.251      50.5799     6.62793     230.58      
1 1 1 3  24 24 o 65.3063 3.33142 23.8516      3.48796  25.2419      3.14115  47.5611     293.043     9.34063     113.043     
1 1 1 3  24 25 o 20.9576 4.97294 1.54017      1.78131  3.73215      2.1047   7.53103     133.808     12.8342     313.808     
1 1 1 3  24 26 o 71.5172 2.7634  33.1968      3.0003   25.1859      3.01218  58.7394     336.451     3.5244      336.451     
1 1 1 3  24 27 o 23.1326 4.95173 2.9758       1.90647  3.8114       1.94094  12.3588     232.771     4.90142     52.7711     
1 1 1 3  24 28 o 19.3219 4.97315 1.7754       1.92286  2.45176      1.9283   2.32964     346.984     20.764      166.984     
1 1 1 3  24 29 o 23.5342 5.2169  3.59744      2.02701  3.60776      2.18153  6.06351     247.796     21.1656     67.7962     
1 1 1 3  24 30 o 21.606  5.10515 1.81883      2.09532  4.03092      2.06295  11.2202     62.5535     1.99769     62.5535     
1 1 1 3  24 31 o 25.301  5.29063 3.98838      2.18666  4.75828      2.23492  18.4468     263.559     6.17008     263.559     
1 1 1 3  24 32 o 17.9377 5.05319 2.28465      2.05875  0.916012     2.22504  1.65021     145.049     28.3493     145.049     
1 1 1 3  24 33 o 58.8018 3.37632 16.6675      3.01597  25.3063      2.86851  46.0677     55.9064     0.43906     235.906     
1 1 1 3  24 34 o 86.8418 2.86011 44.6767      4.0275   43.9604      3.58779  78.7522     33.3963     19.8337     33.3963     
1 1 1 3  24 35 o 23.8029 5.58752 5.69851      2.48727  2.57962      2.58474  11.9671     345.84      10.0245     165.84      
1 1 1 3  24 36 o 20.8635 5.65929 2.26442      2.32962  4.08756      2.78592  12.28       343.471     2.30695     343.471     
1 1 1 3  24 37 o 38.6313 5.32121 9.88497      2.47866  11.8579      3.58536  32.9207     328.735     7.59212     328.735     
1 1 1 3  24 38 o 21.4515 5.54518 4.30841      2.31446  2.78251      2.60639  15.1315     83.4844     1.40808     83.4844     
1 1 1 3  24 39 o 17.1905 5.09309 2.69974      2.32317  0.554458     2.342    8.18555     126.526     5.85571     306.526     
1 1 1 3  24 40 o 15.7615 4.94082 0.481178     2.3561   1.39259      2.42152  2.47773     214.479     0.616981    214.479     
1 1 1 3  24 41 o 19.1443 4.93592 2.59514      1.81128  3.01755      1.96703  7.96198     281.996     10.2235     101.996     
1 1 1 3  24 42 o 21.223  4.91433 4.32552      1.89042  2.80843      1.89546  11.8425     221.447     5.52621     41.4467     
1 1 1 3  24 43 o 13.1821 4.16884 -0.852696    1.80585  1.10021      1.77171  1.54195     163.901     4.59824     343.901     
1 1 1 3  24 44 o 15.8765 4.54678 -0.324192    1.89562  2.94683      1.88986  2.39766     187.049     9.65318     7.04939     
1 1 1 3  24 45 o 26.8827 5.3098  7.16979      2.17156  5.26186      2.60136  17.8452     308.991     0.842985    128.991     
1 1 1 3  24 46 o 16.7177 4.92277 3.00168      2.01557  1.3264       2.3852   7.0287      341.434     0.00760854  161.436     
1 1 1 3  24 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  25 0  o 22.718  6.1292  3.94076      2.01987  3.94076      2.01987  2.06896     270         31.3871     89.9999     
1 1 1 3  25 1  o 133.724 2.15506 94.9847      4.09693  102.264      4.7725   123.859     199.863     30.7877     199.863     
1 1 1 3  25 2  o 57.8919 2.59476 16.9153      2.29052  20.4729      2.29501  52.0115     232.296     13.5117     232.296     
1 1 1 3  25 3  o 72.8997 2.27662 27.3533      2.4918   31.5224      2.60384  59.8012     308.977     3.20642     308.977     
1 1 1 3  25 4  o 61.8011 3.05451 18.0056      3.03939  25.1205      2.55469  46.5816     220.605     4.74008     40.6047     
1 1 1 3  25 5  o 14.0677 4.01926 1.4728       1.51047  -1.16117     1.43926  2.88513     312.399     14.9805     312.399     
1 1 1 3  25 6  o 178.558 2.12869 168.873      5.99747  182.952      5.68398  177.162     203.2       64.0803     203.2       
1 1 1 3  25 7  o 14.9667 3.92539 -1.07132     1.34487  2.148        1.4512   3.05435     194.219     19.1188     194.219     
1 1 1 3  25 8  o 77.524  2.51678 35.9906      3.31107  30.9313      2.68277  82.9636     260.371     43.2013     260.371     
1 1 1 3  25 9  o 127.174 2.64484 93.6652      5.19251  86.4686      5.1504   96.399      93.941      13.2583     273.941     
1 1 1 3  25 10 o 93.3915 2.78085 50.5264      4.00048  46.9618      3.97663  88.1052     193.223     26.3432     193.223     
1 1 1 3  25 11 o 49.3502 3.65185 10.1336      2.59906  18.3421      2.65858  42.9594     323.169     10.075      323.169     
1 1 1 3  25 12 o 84.6084 2.50723 40.6165      3.25597  39.0761      3.26166  81.0181     326.605     26.879      326.605     
1 1 1 3  25 13 o 16.6384 4.45204 1.73745      1.58424  0.646577     1.60235  0.452258    198.392     14.8913     18.3915     
1 1 1 3  25 14 o 52.5979 3.28098 15.1491      2.38364  16.3209      2.86672  38.6352     287.417     5.20644     107.417     
1 1 1 3  25 15 o 42.8421 4.50657 13.5977      2.19989  8.37036      3.09913  34.6085     64.8341     3.87228     64.8341     
1 1 1 3  25 16 o 41.8431 4.81304 13.2551      2.42429  8.02522      3.20244  29.7557     20.5814     4.91073     200.581     
1 1 1 3  25 17 o 74.0415 2.91299 30.8622      3.2954   30.9778      3.32094  64.4688     264.899     10.7332     264.899     
1 1 1 3  25 18 o 38.8396 3.59118 8.80666      2.08002  8.72687      2.11241  19.0538     60.6866     22.6591     240.687     
1 1 1 3  25 19 o 61.3973 3.05762 23.5719      2.84226  19.4265      2.87485  50.2236     54.8589     2.95068     54.859      
1 1 1 3  25 20 o 64.3622 3.42282 27.033       3.31987  20.9317      3.35847  48.9967     173.371     4.23422     353.371     
1 1 1 3  25 21 o 48.5214 3.66318 14.93        2.81431  12.6862      2.57547  42.0692     101.098     8.91607     101.098     
1 1 1 3  25 22 o 39.533  3.89099 9.31276      2.40165  9.30248      2.20076  33.8924     3.6551      8.46549     3.6551      
1 1 1 3  25 23 o 66.1617 3.13545 28.3863      3.1405   22.1953      3.16482  55.728      97.7734     7.20017     97.7734     
1 1 1 3  25 24 o 10.7106 3.63925 -3.24573     1.66998  -1.37173     1.82399  1.45507     337.684     5.83961     337.684     
1 1 1 3  25 25 o 14.1804 4.27638 -1.34994     1.73616  1.22796      1.75647  0.55609     161.667     4.86577     341.667     
1 1 1 3  25 26 o 28.7093 4.64047 1.55773      2.54287  8.8168       2.08489  13.6716     280.178     14.3907     100.178     
1 1 1 3  25 27 o 51.1686 3.50125 13.6318      2.78785  17.5199      2.57179  38.8426     118.034     1.63452     298.034     
1 1 1 3  25 28 o 12.6506 4.07421 -0.645909    1.72853  -0.597081    1.76575  0.451095    159.947     9.47544     159.947     
1 1 1 3  25 29 o 47.7553 3.53393 14.7392      2.64449  12.824       2.47531  44.0592     129.005     15.0038     129.005     
1 1 1 3  25 30 o 27.8862 5.1772  4.71415      2.24682  6.10651      2.28194  21.0181     256.285     2.5465      256.285     
1 1 1 3  25 31 o 27.8051 5.12242 3.91233      2.29776  7.01462      2.28168  15.5554     288.631     10.0994     108.631     
1 1 1 3  25 32 o 19.9792 5.11717 3.91766      2.13904  1.12276      2.17912  11.5704     84.5956     2.35488     264.596     
1 1 1 3  25 33 o 42.87   4.14997 10.7772      2.6385   12.9601      2.67411  32.361      176.194     0.79333     356.194     
1 1 1 3  25 34 o 26.9187 5.32435 5.15461      2.36156  5.60269      2.23629  14.3851     117.092     10.1528     297.092     
1 1 1 3  25 35 o 15.2772 4.87039 0.299594     2.67291  0.281902     2.16639  5.74604     54.9512     2.19985     234.951     
1 1 1 3  25 36 o 23.753  5.47921 6.69011      2.65891  2.41323      2.206    16.4615     353.219     0.761138    173.219     
1 1 1 3  25 37 o 20.5643 6.14895 4.23575      2.82869  1.67995      4.7316   11.282      256.361     6.24214     256.361     
1 1 1 3  25 38 o 17.1916 5.20878 -0.557882    2.23582  3.8517       2.84679  8.49354     73.8038     2.93991     253.804     
1 1 1 3  25 39 o 18.0804 5.2791  3.33264      2.45201  1.23536      2.43454  9.88715     318.154     1.87734     318.154     
1 1 1 3  25 40 o 14.9086 4.6552  1.94755      2.08359  -1.14731     2.40769  5.59829     76.4349     2.6615      256.435     
1 1 1 3  25 41 o 22.9055 5.47398 6.45771      2.49075  2.71434      2.44492  13.9434     326.762     1.48679     146.762     
1 1 1 3  25 42 o 12.287  4.12645 -1.3098      2.07095  -0.736299    2.15684  1.0878      12.9345     8.82943     12.9345     
1 1 1 3  25 43 o 15.1853 4.66697 1.35166      1.80395  1.10725      2.30085  2.52115     200.337     3.26647     20.3375     
1 1 1 3  25 44 o 19.3003 6.33883 12.586       6.07669  1.42223      2.3566   9.381       148.059     3.1443      328.059     
1 1 1 3  25 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  26 0  o 25.0149 4.7459  4.15846      1.5796   4.15846      1.5796   16.0935     270         4.5724      90.0001     
1 1 1 3  26 1  o 75.4396 2.42937 29.7479      2.80621  33.6351      2.81534  63.4102     45.8464     7.3247      45.8464     
1 1 1 3  26 2  o 39.9151 3.10537 9.81747      1.94104  8.31947      1.8114   37.9839     150.731     19.2937     150.731     
1 1 1 3  26 3  o 55.8307 2.66    15.4875      2.33511  19.5238      2.15923  41.2814     32.9836     4.70751     212.984     
1 1 1 3  26 4  o 54.6471 2.80553 16.9072      2.30296  16.6474      2.38491  49.9942     42.8269     15.6013     42.8269     
1 1 1 3  26 5  f 42.7942 2.98588 11.9379      1.92986  8.90291      1.91665  33.5959     15.8655     0           0           
1 1 1 3  26 6  o 60.2456 2.50673 20.634       2.31671  19.8907      2.31323  36.8039     76.7909     21.5197     256.791     
1 1 1 3  26 7  o 15.0068 4.11479 1.34546      1.39797  0.368358     1.36613  2.30017     287.568     20.4614     287.568     
1 1 1 3  26 8  o 71.4684 2.66707 30.6543      2.92093  26.6041      2.91689  63.3406     329.82      13.7165     329.82      
1 1 1 3  26 9  f 24.7409 5.08299 3.62067      2.30179  3.8443       1.82948  20.0817     169.276     0           0           
1 1 1 3  26 10 o 29.334  5.56613 6.31775      2.91717  4.60122      2.22395  23.7956     335.322     12.1704     335.322     
1 1 1 3  26 11 o 36.4302 5.11257 9.55891      3.17287  6.90348      2.37589  36.6017     289.25      26.1253     289.25      
1 1 1 3  26 12 o 23.0947 4.75021 1.11549      1.87549  5.22685      2.07465  8.33704     83.9849     16.3361     263.985     
1 1 1 3  26 13 o 46.0251 3.34192 14.2686      2.29872  10.2447      2.30569  29.4228     97.6514     13.2009     277.651     
1 1 1 3  26 14 o 14.1258 4.21233 0.794195     1.58144  -0.301868    1.60304  2.08782     26.8076     7.13802     206.808     
1 1 1 3  26 15 o 21.5202 4.62663 4.69492      1.92298  0.407349     1.92681  11.6819     93.8875     3.9816      273.888     
1 1 1 3  26 16 o 49.9284 3.48268 16.1736      2.61218  12.8708      2.63508  54.3208     197.161     33.3164     197.161     
1 1 1 3  26 17 o 29.6713 4.38482 5.77758      1.92417  5.04574      1.95367  20.4566     108.713     1.4457      288.713     
1 1 1 3  26 18 o 24.2561 4.63751 5.37514      1.86066  1.88504      1.97946  4.30765     17.4593     26.2809     197.459     
1 1 1 3  26 19 o 14.2975 4.3627  -1.31178     1.81251  1.05228      1.84721  0.675204    97.9456     6.35741     277.946     
1 1 1 3  26 20 o 69.2759 3.17071 29.7953      3.16625  25.6368      3.50351  60.3908     168.06      12.4126     168.06      
1 1 1 3  26 21 o 39.6382 4.29949 8.73843      2.45825  10.4938      2.61883  20.4133     12.4947     19.4897     192.495     
1 1 1 3  26 22 o 22.8456 5.53485 2.18393      2.07473  4.58612      2.67101  11.293      128.888     5.04156     308.888     
1 1 1 3  26 23 o 33.5508 5.05203 6.59458      2.08587  8.07         2.97127  24.358      35.5142     0.285722    35.5138     
1 1 1 3  26 24 o 28.8109 4.84237 8.14946      2.06782  2.6216       2.6074   18.806      225.695     2.94869     45.6951     
1 1 1 3  26 25 o 27.6162 4.81426 7.01639      2.0436   3.10465      2.2666   18.2279     63.3477     2.05999     243.348     
1 1 1 3  26 26 o 47.0017 3.41524 13.067       2.41262  13.4596      2.46091  28.9386     301.608     14.6036     121.608     
1 1 1 3  26 27 o 32.7538 4.66587 7.14214      2.3609   7.0215       2.18161  24.4768     200.151     0.698815    200.151     
1 1 1 3  26 28 o 44.1476 3.69333 14.1967      2.40324  10.0225      2.42662  33.5801     247.705     0.573013    67.7045     
1 1 1 3  26 29 o 22.1776 5.26077 3.83603      2.19793  3.15702      2.04239  15.884      13.6922     4.35154     13.6922     
1 1 1 3  26 30 o 27.5455 4.95702 4.55599      2.08355  6.10759      2.15851  21.2826     182.554     4.15937     182.554     
1 1 1 3  26 31 o 13.2062 4.18395 0.917594     1.8287   -1.90335     1.87513  1.52108     165.854     5.63242     345.854     
1 1 1 3  26 32 o 17.3831 5.0506  1.18212      2.04704  2.25426      2.29951  2.44202     253.038     18.4188     73.0383     
1 1 1 3  26 33 o 25.8253 5.39779 5.27526      2.23824  5.04207      2.36121  13.7397     324.842     10.0713     144.842     
1 1 1 3  26 34 o 16.0321 5.0209  -0.0740875   2.66245  1.56433      2.35585  7.33362     4.24981     4.64881     184.25      
1 1 1 3  26 35 o 13.5049 4.41858 0.391842     2.26835  -1.27883     2.08401  1.01592     48.743      0.175654    228.743     
1 1 1 3  26 36 o 17.3985 5.27788 1.12182      2.65297  2.51528      2.49027  6.3818      90.6501     9.40295     270.65      
1 1 1 3  26 37 o 25.3118 5.70874 4.2123       3.21325  6.89624      2.38497  16.8308     345.283     1.51397     165.283     
1 1 1 3  26 38 o 17.3556 5.57594 0.461635     3.50207  2.64561      3.13941  8.14744     214.621     3.40342     34.6208     
1 1 1 3  26 39 o 18.4717 5.70546 0.440925     3.00494  4.72278      3.31149  5.98416     71.3785     0.370042    71.3785     
1 1 1 3  26 40 o 14.836  4.79149 1.20564      2.31589  -0.499652    2.67685  0.963134    223.869     3.47988     43.8688     
1 1 1 3  26 41 o 13.8599 4.52074 -0.716766    2.32423  0.846732     2.22487  0.910952    42.31       9.42693     222.31      
1 1 1 3  26 42 o 15.058  4.73791 0.130978     2.22639  2.32352      2.2855   4.30978     323.462     5.78032     143.462     
1 1 1 3  26 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  27 0  o 23.4037 5.201   3.87895      1.64563  3.87895      1.64563  14.1441     270         8.57383     90          
1 1 1 3  27 1  o 54.3593 2.82071 16.3165      2.3536   17.1208      2.334    48.0522     161.147     11.5856     161.147     
1 1 1 3  27 2  o 41.6988 3.21772 10.0786      2.12307  9.90044      1.93826  18.2662     254.719     28.2111     74.7191     
1 1 1 3  27 3  o 87.9699 2.4521  43.1113      3.41222  43.4857      3.21385  73.8668     334.18      8.57331     334.18      
1 1 1 3  27 4  o 61.6371 2.558   21.9478      2.33341  20.7548      2.49147  56.9909     117.057     17.7606     117.057     
1 1 1 3  27 5  o 41.257  3.26355 9.71908      2.09709  9.90374      1.97419  26.256      187.728     10.9209     7.72764     
1 1 1 3  27 6  o 18.8279 4.45012 2.61473      1.54563  1.41196      1.55183  8.39631     167.37      3.91569     347.37      
1 1 1 3  27 7  o 23.9894 4.55394 2.22352      1.8892   4.80184      1.72499  16.2555     115.415     2.42967     115.415     
1 1 1 3  27 8  o 21.1104 6.90473 2.68925      1.82756  -100.476     19.094   3.97673     330.761     20.3457     150.761     
1 1 1 3  27 9  o 32.1779 4.27769 5.35394      2.02935  7.28143      2.04193  19.3036     58.173      8.92577     238.173     
1 1 1 3  27 10 f 31.6798 4.93509 5.8192       2.61975  6.76915      2.06709  30.0956     4.92626     0           0           
1 1 1 3  27 11 o 22.5213 4.8135  -0.355895    2.26222  5.62093      2.18448  10.7363     131.555     3.66727     131.555     
1 1 1 3  27 12 o 18.115  5.02478 0.379917     2.10097  2.38207      2.11993  4.18816     334.622     11.6216     154.622     
1 1 1 3  27 13 o 17.2303 4.40998 -2.08797     1.67839  3.64072      2.03563  2.84431     11.638      1.83746     191.638     
1 1 1 3  27 14 o 21.0994 5.0903  1.95382      2.0258   3.40062      2.01665  9.28025     238.024     5.35817     58.0242     
1 1 1 3  27 15 o 16.8673 4.91034 0.671489     2.06632  1.26491      2.05757  2.85635     40.2975     3.5044      220.298     
1 1 1 3  27 16 o 28.5883 4.71394 7.12387      2.19164  3.41816      1.98473  21.9504     50.1051     9.42694     50.1051     
1 1 1 3  27 17 o 13.0239 4.15504 -0.900479    1.8577   -0.26011     1.69198  0.0472057   315.827     0.884427    315.827     
1 1 1 3  27 18 o 13.8936 4.37949 0.155735     2.06232  -0.673371    1.72112  0.225717    330.915     3.32723     150.915     
1 1 1 3  27 19 o 28.7319 5.08574 4.667        2.33128  6.19853      2.19732  16.6178     321.415     7.13409     141.415     
1 1 1 3  27 20 o 35.3606 4.31876 7.85842      2.36675  7.78876      2.16193  25.647      141.228     0.414195    321.228     
1 1 1 3  27 21 o 18.7621 5.05061 2.47863      2.01677  1.47696      2.0675   6.93304     216.656     6.6911      36.6564     
1 1 1 3  27 22 o 73.2302 2.94324 35.3276      3.09468  27.4389      3.40985  63.9276     165.062     14.3214     165.062     
1 1 1 3  27 23 o 35.6313 4.14815 6.80487      2.14983  9.33216      2.21289  27.4608     114.3       2.27839     114.3       
1 1 1 3  27 24 o 56.2379 3.10298 18.3526      2.64437  19.2214      2.68715  45.2997     170.449     4.01217     170.449     
1 1 1 3  27 25 o 25.1554 5.01333 3.85232      2.0007   5.00384      2.0716   9.56418     200.48      17.6409     20.4802     
1 1 1 3  27 26 o 13.4986 4.16674 1.26236      1.74505  -1.82958     1.78263  1.31149     272.283     12.3629     92.2831     
1 1 1 3  27 27 o 25.7999 5.0502  4.61841      2.04997  4.83612      2.09969  18.0226     354.172     0.723961    354.172     
1 1 1 3  27 28 o 24.9947 5.20249 3.55069      2.05367  5.65266      2.27979  14.6068     134.353     5.04369     314.353     
1 1 1 3  27 29 o 39.6308 4.30255 12.1793      2.35023  8.68132      2.58998  28.372      347.076     2.62893     167.076     
1 1 1 3  27 30 o 18.9118 5.22037 1.26456      2.0048   3.72027      2.45931  1.53671     62.717      23.5526     242.717     
1 1 1 3  27 31 o 13.9426 4.49838 0.528308     1.86999  -1.32622     2.58458  5.31239     286.63      3.57977     106.63      
1 1 1 3  27 32 o 27.3328 6.11021 6.53877      2.72089  6.52991      3.06186  17.0715     86.7755     4.9416      266.776     
1 1 1 3  27 33 o 21.2286 5.62946 3.44451      2.31983  4.17372      2.65532  9.98816     77.7941     6.01528     77.7941     
1 1 1 3  27 34 o 11.0909 3.75999 -0.572717    1.85034  -3.10988     1.91938  0.770431    151.378     3.97621     331.378     
1 1 1 3  27 35 o 19.5431 5.59478 3.03224      2.46624  3.49657      2.76271  8.27102     163.978     9.16694     343.978     
1 1 1 3  27 36 o 17.1245 5.07822 3.13757      2.39148  0.769831     2.22861  7.16643     261.028     0.66414     81.028      
1 1 1 3  27 37 o 18.6434 5.502   2.45011      2.61609  3.25062      2.65703  0.553839    119.59      0.0709786   119.59      
1 1 1 3  27 38 o 17.3776 5.19517 2.52883      2.30639  1.88283      2.51599  2.07665     261.153     1.04554     81.1531     
1 1 1 3  27 39 o 18.8023 5.47936 3.33278      2.83752  3.16969      2.32693  5.1385      256.745     0.720547    256.745     
1 1 1 3  27 40 o 16.3668 5.25754 1.34888      2.99289  2.60781      2.83191  6.18963     65.3106     2.35371     245.311     
1 1 1 3  27 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  28 0  o 14.127  5.65993 1.64557      1.89944  1.64557      1.89944  1.97744     90          20.1049     90          
1 1 1 3  28 1  o 61.9367 2.6594  21.8189      2.61433  21.7187      2.43101  45.6584     169.798     4.22971     349.798     
1 1 1 3  28 2  o 16.4174 4.5144  2.07506      1.7331   0.017938     1.70917  2.83407     133.265     5.70616     313.265     
1 1 1 3  28 3  f 23.5471 4.57031 1.60637      1.8696   5.25105      1.85767  21.7136     134.629     0           0           
1 1 1 3  28 4  o 20.8961 4.46722 1.25799      1.68197  3.95697      1.67893  5.47784     54.3545     16.064      234.355     
1 1 1 3  28 5  o 43.1479 3.28533 10.6185      2.04425  11.0702      2.25032  15.6029     248.041     34.6132     68.0411     
1 1 1 3  28 6  o 13.1351 4.03377 -0.177804    1.50846  0.208226     1.52874  0.844196    176.143     9.2349      176.143     
1 1 1 3  28 7  o 48.4729 3.02706 11.6337      2.11915  15.5817      2.34171  37.2061     280.149     1.09946     280.149     
1 1 1 3  28 8  o 32.5056 4.53351 8.69014      2.16759  4.68187      2.19408  22.9572     117.137     0.0331694   117.137     
1 1 1 3  28 9  o 25.6405 5.33122 4.50739      2.47998  4.08566      2.01688  14.4753     195.316     4.17942     15.3161     
1 1 1 3  28 10 o 24.2296 5.22122 5.03137      2.35087  2.64137      1.97506  14.1363     289.269     1.48987     289.269     
1 1 1 3  28 11 o 32.0659 5.27459 4.20822      2.75888  9.42029      2.57207  17.3367     97.0049     11.3439     277.005     
1 1 1 3  28 12 o 31.3738 5.48943 5.79104      2.78515  7.33614      2.5309   21.9665     292.404     0.613258    292.404     
1 1 1 3  28 13 o 29.5483 5.74255 5.12579      2.52333  6.88363      2.87959  9.41408     76.5208     23.8774     256.521     
1 1 1 3  28 14 o 17.2507 4.9224  1.34754      2.00168  1.28228      2.03156  3.74426     354.931     10.0425     174.931     
1 1 1 3  28 15 o 46.2668 3.78164 16.0103      2.4499   10.1095      2.62335  27.4903     76.1723     15.1513     256.172     
1 1 1 3  28 16 o 57.293  3.3673  18.1826      2.92719  20.814       2.94927  46.5922     46.1541     5.82452     46.1542     
1 1 1 3  28 17 o 20.5407 4.46686 -1.05186     1.96295  5.29572      2.03306  4.74844     92.5823     18.159      272.582     
1 1 1 3  28 18 f 47.0889 3.71706 13.3418      2.63621  13.7627      2.66233  26.3061     134.098     0           0           
1 1 1 3  28 19 o 17.3401 4.78547 1.32154      1.85203  1.94434      1.85611  6.25244     76.5365     7.31883     256.536     
1 1 1 3  28 20 o 20.7823 5.21632 2.10688      2.12023  3.6789       2.14737  12.3449     50.1426     0.912602    230.143     
1 1 1 3  28 21 o 30.955  5.04561 7.0069       2.14792  6.23983      2.5791   24.4423     43.396      4.30246     43.396      
1 1 1 3  28 22 o 19.7217 5.16601 2.68187      1.88804  2.43439      2.31615  11.2836     283.109     3.37659     283.109     
1 1 1 3  28 23 o 44.3021 3.61336 11.6359      2.39757  12.71        2.43923  29.4747     169.84      7.90231     349.84      
1 1 1 3  28 24 o 23.415  4.92469 2.08436      2.14393  5.57683      2.02859  6.04988     254.005     21.0056     74.0052     
1 1 1 3  28 25 o 18.233  4.97116 0.945335     2.18397  2.99172      1.96814  3.33821     101.091     17.2153     281.091     
1 1 1 3  28 26 o 39.1132 5.30337 7.86559      3.36791  14.581       2.61335  30.9907     260.635     4.34334     260.635     
1 1 1 3  28 27 o 18.5706 5.0367  3.28651      2.04925  1.21656      2.17066  10.6074     131.339     4.1065      131.339     
1 1 1 3  28 28 o 20.5824 5.01934 4.09026      1.97862  2.15178      2.03006  12.4368     211.81      2.70522     31.8104     
1 1 1 3  28 29 o 41.1281 4.02893 10.9861      2.52462  11.5549      2.43332  39.321      339.334     18.0759     339.334     
1 1 1 3  28 30 o 19.1935 4.99433 1.69866      1.97601  3.76106      2.04057  6.62457     350.03      12.5768     170.03      
1 1 1 3  28 31 o 17.7222 5.03401 1.30053      2.09689  3.03419      2.18019  7.50352     244.679     6.91827     64.6789     
1 1 1 3  28 32 o 13.0382 4.25469 -1.75328     1.98664  0.813921     2.08394  2.58577     340.164     2.82056     160.164     
1 1 1 3  28 33 o 20.5515 5.25134 3.63365      2.09792  3.40688      2.17215  9.43786     135.052     8.25592     315.052     
1 1 1 3  28 34 o 16.9518 5.11514 3.60329      2.58954  -0.138627    2.33345  5.49208     15.4032     4.03356     195.403     
1 1 1 3  28 35 o 14.4457 4.59899 -0.0762036   2.34743  1.03436      2.02538  0.875218    262.241     5.51499     82.2413     
1 1 1 3  28 36 o 15.2271 4.8372  0.202652     2.23017  1.75718      2.50256  1.52776     85.8207     2.50401     265.821     
1 1 1 3  28 37 o 15.9751 5.06416 -0.376297    2.82506  3.00343      2.59848  4.5229      261.578     4.03792     81.5781     
1 1 1 3  28 38 o 17.6693 5.40893 4.88564      2.98008  1.01762      2.5374   7.46104     135.983     1.81747     135.983     
1 1 1 3  28 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  29 0  o 34.7423 5.04066 7.78076      2.38316  7.78076      2.38316  20.7743     270         12.5183     90.0001     
1 1 1 3  29 1  o 13.8988 4.29466 0.422741     1.81365  -0.316926    1.67631  0.325193    220.499     7.24732     40.499      
1 1 1 3  29 2  o 42.7013 3.75786 11.2528      2.33534  10.7243      2.48846  25.6865     199.677     12.3679     19.677      
1 1 1 3  29 3  o 25.2227 4.57059 2.13179      1.84797  6.17063      1.97455  12.6181     259.968     8.62112     79.9679     
1 1 1 3  29 4  o 29.9802 4.3112  4.87591      1.92102  6.47803      1.92348  13.9582     210.228     15.0272     30.2282     
1 1 1 3  29 5  o 20.6344 4.78876 2.33024      1.78324  3.06739      1.75565  7.41193     275.659     1.45454     275.659     
1 1 1 3  29 6  o 15.9881 4.48131 0.892675     1.64837  1.41141      1.64624  2.67616     279.839     9.28737     99.8387     
1 1 1 3  29 7  o 22.998  4.66038 1.8871       2.01933  4.79781      1.75373  13.2102     324.966     1.08982     144.966     
1 1 1 3  29 8  o 25.6944 5.17164 5.79777      2.23003  3.15021      2.20451  13.4331     26.0639     7.86797     206.064     
1 1 1 3  29 9  o 54.4644 3.40418 17.0962      2.87844  18.2773      2.7625   43.6686     203.58      5.14383     203.58      
1 1 1 3  29 10 o 25.7317 5.12236 3.71589      2.17962  5.30997      2.11555  13.8389     5.12528     7.34316     185.125     
1 1 1 3  29 11 o 32.7637 5.17557 9.21069      2.69131  5.55818      2.4495   19.3126     221.152     8.75692     41.152      
1 1 1 3  29 12 o 22.5554 6.22022 3.87534      3.3117   3.18305      2.92051  9.9526      348.556     9.62028     168.556     
1 1 1 3  29 13 o 28.8153 5.40697 7.51976      2.23444  4.06875      3.05769  16.0943     122.226     8.84398     302.226     
1 1 1 3  29 14 o 17.2385 5.04449 0.00839465   1.86728  2.76129      2.5539   6.78767     127.396     0.786319    307.396     
1 1 1 3  29 15 o 15.5538 4.68714 1.30193      1.96104  0.0824334    2.04549  2.8543      1.28791     13.1762     181.288     
1 1 1 3  29 16 o 11.5489 3.81561 -3.11342     1.77412  -0.0121606   1.74108  0.834592    206.724     6.43956     26.7238     
1 1 1 3  29 17 o 12.0749 3.98771 -1.50983     1.81198  -0.67964     1.86011  1.07438     65.8176     6.13579     245.818     
1 1 1 3  29 18 o 18.3594 4.79415 0.408308     1.92518  3.43635      1.96066  7.76871     354.177     1.9105      354.177     
1 1 1 3  29 19 o 14.2894 4.45088 0.481227     1.98689  0.0680728    1.81836  1.7938      77.5533     1.60451     257.553     
1 1 1 3  29 20 o 14.9164 4.55358 1.5323       1.95873  -0.778207    2.02079  1.36921     245.914     20.8512     245.914     
1 1 1 3  29 21 o 13.6259 4.27908 0.382159     1.78748  -0.146954    1.81275  0.341351    332.878     0.400837    152.878     
1 1 1 3  29 22 o 22.0203 5.12244 4.29278      1.99379  2.80767      2.13349  12.8259     276.507     3.21012     96.5073     
1 1 1 3  29 23 o 17.8371 4.65647 -0.0559126   1.86708  3.69621      1.93658  6.34248     185.203     10.722      5.20335     
1 1 1 3  29 24 o 21.5081 5.0447  2.63326      1.94627  4.31718      2.02834  7.16959     298.011     16.0308     118.011     
1 1 1 3  29 25 o 20.6831 4.91658 4.4963       1.96604  1.74748      2.0007   14.1416     116.275     7.55199     116.275     
1 1 1 3  29 26 o 12.3584 3.97366 0.757152     1.70242  -2.0169      1.79168  1.23039     209.557     10.4663     29.5568     
1 1 1 3  29 27 o 31.7336 4.63759 6.40705      2.16543  8.13566      2.22023  18.4295     324.325     9.10218     144.325     
1 1 1 3  29 28 o 19.5025 5.04267 2.81164      1.95634  3.09826      1.99303  10.1262     138.307     4.25248     318.307     
1 1 1 3  29 29 o 12.4475 4.04162 -0.609534    1.74027  0.118721     1.79902  1.97195     5.42183     6.2102      185.422     
1 1 1 3  29 30 o 22.0361 5.37131 4.32372      2.1815   3.94536      2.2488   13.8874     59.6207     0.0832517   59.621      
1 1 1 3  29 31 o 15.4541 4.6938  1.88974      2.01159  0.566831     2.06854  2.8794      191.94      2.20395     11.9396     
1 1 1 3  29 32 o 15.1264 4.60156 1.70035      1.87904  0.451933     2.0775   1.66384     266.707     6.54669     86.7073     
1 1 1 3  29 33 o 15.637  4.96073 1.33885      2.78229  1.02037      2.1746   1.89588     306.107     9.50623     126.107     
1 1 1 3  29 34 o 13.0397 4.47817 -2.59993     3.93226  -0.514111    1.8899   0.330079    228.452     1.50336     48.4522     
1 1 1 3  29 35 o 19.222  6.35911 13.2728      6.92257  2.05599      2.39034  6.66023     91.2091     10.3201     271.209     
1 1 1 3  29 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  29 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  30 0  o 12.4466 5.49816 0.954477     2.15702  0.954477     2.15702  0.653169    89.9999     11.4395     270         
1 1 1 3  30 1  o 41.879  3.72951 12.2319      2.42504  9.51797      2.26223  39.1293     70.2677     17.2711     70.2677     
1 1 1 3  30 2  o 46.2324 3.62685 11.3389      2.5045   14.9719      2.51873  42.7545     342.419     17.3116     342.419     
1 1 1 3  30 3  o 33.8687 4.38634 8.45753      2.14785  6.48838      2.23289  21.9123     142.23      5.45304     322.231     
1 1 1 3  30 4  o 28.4223 4.84507 5.81317      2.03737  5.18397      2.16187  17.0026     122.407     6.32576     302.407     
1 1 1 3  30 5  o 15.9749 4.61683 1.09893      1.80754  1.21757      1.7941   5.84834     163.039     4.3191      343.039     
1 1 1 3  30 6  o 34.6064 4.30389 9.46451      2.07659  6.15546      2.25193  24.0751     187.265     2.32644     7.26507     
1 1 1 3  30 7  o 14.967  4.41127 -0.35848     2.03442  1.43675      1.54836  5.06442     280.812     4.22679     100.812     
1 1 1 3  30 8  o 18.5194 4.95874 0.194814     2.0884   3.51571      2.12544  6.32788     173.83      2.59422     173.83      
1 1 1 3  30 9  o 15.3469 4.7072  0.00897863   2.06874  1.07054      2.081    4.92364     211.762     2.34451     31.762      
1 1 1 3  30 10 o 25.0596 5.51846 3.79336      2.60498  5.36926      2.2539   10.2224     261.108     14.6942     81.1077     
1 1 1 3  30 11 o 14.6849 4.75647 -1.97942     2.94832  0.376408     2.10808  0.118126    90.6481     17.2426     270.648     
1 1 1 3  30 12 o 27.2942 6.20255 4.61922      2.70785  7.40472      3.24911  19.9244     163.834     4.03667     163.834     
1 1 1 3  30 13 f 20.0286 5.52457 1.96347      2.18728  3.56315      2.73218  18.422      110.44      0           0           
1 1 1 3  30 14 o 16.6863 5.10265 0.788729     2.09886  1.42057      2.69247  4.3589      284.308     9.48646     104.308     
1 1 1 3  30 15 o 23.8894 5.21597 2.93955      2.25632  5.43602      2.16353  10.5196     355.98      11.3418     175.98      
1 1 1 3  30 16 o 25.2675 5.5066  4.7866       2.34049  4.98373      2.36819  12.5375     26.9987     9.65803     206.999     
1 1 1 3  30 17 o 14.9409 4.58125 0.480182     1.95604  0.86959      1.94766  1.89711     215.053     0.267565    35.0527     
1 1 1 3  30 18 o 20.9879 5.31044 4.1287       2.29636  2.53286      2.09666  7.51966     149.486     13.5751     329.486     
1 1 1 3  30 19 o 17.651  4.97097 0.756668     1.99272  3.09375      2.18931  7.09221     115.207     3.31499     115.207     
1 1 1 3  30 20 o 29.6154 5.04053 5.2641       2.35442  7.81615      2.26136  18.4007     348.31      5.68357     168.31      
1 1 1 3  30 21 o 16.9104 4.8163  0.939773     1.93917  2.53363      1.9934   8.60788     7.86826     0.879571    7.86825     
1 1 1 3  30 22 o 15.8534 4.47074 -1.22427     1.86546  3.07722      1.90838  5.50193     89.8874     7.73283     269.887     
1 1 1 3  30 23 f 12.3375 3.99369 1.02691      1.86237  -2.69002     1.74938  9.43838     38.3445     0           0           
1 1 1 3  30 24 o 13.6268 4.29254 0.270697     1.78385  0.434428     1.85675  3.35432     245.007     4.88053     65.0072     
1 1 1 3  30 25 o 11.94   3.90589 -0.980519    1.67182  0.0087805    1.73018  1.41516     52.9613     4.66704     232.961     
1 1 1 3  30 26 o 18.651  4.91657 3.11221      1.88822  2.25097      1.9336   7.50921     221.309     8.61427     41.3092     
1 1 1 3  30 27 o 23.6772 5.06068 4.49274      1.97259  4.54984      2.02973  16.6689     117.143     6.83016     117.143     
1 1 1 3  30 28 o 18.3983 4.80745 3.5077       1.85887  1.57571      1.90433  6.52646     149.763     1.16584     329.763     
1 1 1 3  30 29 o 13.5742 4.25026 -0.640481    1.77308  1.36592      1.83792  0.0385937   15.4714     5.89591     15.4714     
1 1 1 3  30 30 o 14.5388 4.70617 1.67919      2.83314  -0.147219    1.76309  1.12471     79.8925     6.81008     259.892     
1 1 1 3  30 31 o 16.1777 4.97294 1.00365      2.97596  2.20588      1.94742  0.959802    20.4397     0.30931     200.44      
1 1 1 3  30 32 o 18.2937 5.57419 3.90719      3.88926  3.06661      2.17833  8.27127     0.169518    2.55093     180.17      
1 1 1 3  30 33 o 14.4043 4.67233 0.182708     3.07081  1.10234      1.8586   4.81135     197.754     5.15147     17.7535     
1 1 1 3  30 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  31 0  o 10.7037 5.0648  -0.209442    2.31251  -0.209442    2.31251  0.204339    270.001     1.59885     270.001     
1 1 1 3  31 1  o 20.368  5.21055 1.86989      2.3696   3.72463      2.03869  10.1468     327.379     2.64806     147.379     
1 1 1 3  31 2  f 21.4459 5.26641 3.5042       2.09677  3.17016      2.16334  19.2685     234.689     0           0           
1 1 1 3  31 3  o 20.0425 4.62868 -0.302357    2.01676  4.94675      2.0013   10.1225     87.8931     1.85541     87.8931     
1 1 1 3  31 4  o 13.8793 4.35099 -0.76923     1.8838   0.855264     1.88392  1.39583     279.174     9.46496     99.1736     
1 1 1 3  31 5  o 20.4239 5.08091 3.76826      2.00184  2.05704      2.09131  8.47556     236.535     8.64015     56.5353     
1 1 1 3  31 6  o 12.8299 4.15401 -0.485241    1.75111  -0.405302    1.94038  1.04662     319.279     4.08527     139.279     
1 1 1 3  31 7  o 24.5453 5.19246 2.00534      2.42068  6.79847      2.35324  12.2548     105.232     8.68355     285.232     
1 1 1 3  31 8  o 21.0797 5.71646 1.95769      2.28095  4.8799       2.96569  12.4511     347.146     2.83439     347.146     
1 1 1 3  31 9  o 16.2853 4.91899 -1.31288     2.55857  2.39836      2.21547  4.33737     184.586     10.3834     4.5863      
1 1 1 3  31 10 f 22.3057 6.14335 3.83414      2.70791  4.43139      3.39043  11.1191     356.217     0           0           
1 1 1 3  31 11 o 14.726  4.73961 -0.101519    2.63358  0.158121     2.09389  2.02324     219.385     13.6394     39.3848     
1 1 1 3  31 12 o 43.3659 5.29536 14.0494      3.2773   13.5704      3.52382  36.2565     292.947     9.40272     292.947     
1 1 1 3  31 13 o 17.9092 5.34868 2.07317      2.26816  1.75724      2.84688  6.45563     326.095     3.13068     326.095     
1 1 1 3  31 14 o 19.6697 5.28574 -0.35731     2.2194   5.58119      2.7341   7.25376     67.5495     11.8035     247.549     
1 1 1 3  31 15 o 16.7208 4.89502 2.95155      2.20403  -0.310487    2.19373  6.79557     265.446     1.88863     265.446     
1 1 1 3  31 16 o 27.8394 5.69126 5.75346      2.74919  6.97947      2.48398  21.0744     241.889     4.46276     241.889     
1 1 1 3  31 17 o 16.9837 4.99014 2.28573      2.24463  1.29689      2.06525  7.77244     150.412     0.376291    150.412     
1 1 1 3  31 18 f 16.3448 4.80689 -0.135307    2.0024   2.90572      2.19088  5.97758     212.371     0           0           
1 1 1 3  31 19 o 22.039  5.64469 4.53037      2.74559  3.84085      2.19993  14.4417     174.362     2.51646     174.362     
1 1 1 3  31 20 o 31.2431 4.88902 7.03914      2.26483  7.58044      2.31575  17.6779     154.553     8.92379     334.553     
1 1 1 3  31 21 o 15.5972 4.66983 1.23234      1.90466  1.51164      1.97202  5.54677     32.7728     1.2057      212.773     
1 1 1 3  31 22 o 28.9352 4.9076  7.7049       2.1699   5.23381      2.2128   14.5952     306.802     11.4794     126.802     
1 1 1 3  31 23 o 11.9927 3.92548 -0.105948    1.69597  -0.757275    1.74704  0.133128    248.787     7.45275     68.7867     
1 1 1 3  31 24 o 12.7248 4.04335 -0.652955    1.58053  0.874389     1.75679  0.6185      200.872     10.4672     200.872     
1 1 1 3  31 25 o 12.709  4.01998 -1.14127     1.64081  1.12336      1.70589  0.138068    62.1326     2.05489     62.1327     
1 1 1 3  31 26 o 23.0011 5.95033 6.51052      3.14382  4.00503      2.34832  11.5555     195.912     0.525636    15.9116     
1 1 1 3  31 27 o 17.7689 5.41452 3.42416      3.10752  1.98549      2.25315  3.82167     257.479     11.7933     77.479      
1 1 1 3  31 28 o 19.2633 5.71213 6.38694      3.77624  2.30034      1.90045  8.3734      186.26      3.76452     6.26042     
1 1 1 3  31 29 o 11.712  4.01484 -1.5151      2.95319  -0.681447    1.44859  0.851658    8.95293     5.22469     188.953     
1 1 1 3  31 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  31 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  32 0  o 25.2624 7.4633  6.15622      2.90573  6.15622      2.90573  21.476      90.0001     5.74428     90.0001     
1 1 1 3  32 1  o 19.1674 5.35855 3.4166       2.51397  2.02383      2.17736  10.625      2.39714     1.85908     182.397     
1 1 1 3  32 2  o 24.7943 5.4719  4.1534       2.27151  5.71996      2.40071  11.9926     180.033     10.1551     0.0325368   
1 1 1 3  32 3  o 12.371  4.10492 -0.26495     1.99395  -1.79057     2.00331  2.41363     44.817      3.81753     224.817     
1 1 1 3  32 4  o 20.2211 5.08243 1.44689      2.12974  4.5183       2.14273  8.08178     97.2563     10.6025     277.256     
1 1 1 3  32 5  o 13.8001 4.38382 -0.0890867   1.95793  0.422838     1.93454  4.06238     129.843     3.84816     309.843     
1 1 1 3  32 6  o 18.3631 5.03751 1.1535       2.19     3.36634      2.07997  3.51483     301.105     1.78969     301.105     
1 1 1 3  32 7  o 47.1439 4.15145 14.7453      2.94269  15.2096      2.95397  37.9517     179.057     7.49177     179.057     
1 1 1 3  32 8  o 14.6368 4.74479 1.1614       2.55665  -1.25073     2.32531  1.08566     216.168     0.0605089   36.1679     
1 1 1 3  32 9  o 35.4158 5.75306 6.39507      3.27294  14.8042      3.28638  23.2123     32.7257     3.76401     212.726     
1 1 1 3  32 10 o 18.1005 5.27428 2.47852      2.4188   2.16312      2.33026  7.60965     285.661     6.25265     105.661     
1 1 1 3  32 11 o 19.9557 5.81624 3.4139       3.41014  3.21401      2.46718  4.67046     326.688     16.8553     146.688     
1 1 1 3  32 12 o 20.2267 5.97663 4.04845      3.12749  3.00314      3.11373  11.5026     329.365     1.02285     329.365     
1 1 1 3  32 13 o 21.9889 5.84288 2.7922       2.48647  5.94114      2.96855  10.0468     76.5732     8.50096     256.573     
1 1 1 3  32 14 o 17.4675 5.1207  3.39795      2.3652   0.376078     2.39423  8.01563     307.417     0.175227    127.417     
1 1 1 3  32 15 o 15.0513 4.80572 1.04784      2.46207  0.304581     2.27017  4.21559     288.405     7.08862     108.405     
1 1 1 3  32 16 o 14.6154 4.64838 0.00114888   2.34456  1.02245      2.09157  4.25548     147.533     3.7021      327.533     
1 1 1 3  32 17 o 12.8646 4.23346 -2.11773     2.09187  0.67544      2.094    0.485437    201.474     0.746455    21.4739     
1 1 1 3  32 18 o 13.3699 4.34241 0.274861     1.97735  -0.383664    2.12411  1.18126     313.416     3.41368     133.416     
1 1 1 3  32 19 o 17.0888 4.85578 -0.0390804   2.04478  3.70787      2.1904   2.40865     152.824     14.351      332.824     
1 1 1 3  32 20 o 14.7957 4.5159  2.00323      1.93859  -0.385516    1.98756  0.613713    279.659     15.1082     279.659     
1 1 1 3  32 21 o 14.2952 4.62789 0.589138     2.6928   0.257462     1.86927  0.237443    136.303     2.88551     316.303     
1 1 1 3  32 22 o 19.2076 5.46801 6.48343      3.15218  0.438656     1.95394  6.37925     105.902     5.70144     285.902     
1 1 1 3  32 23 o 12.2412 4.21584 -0.300534    2.98071  -1.76649     1.69523  0.605738    260.217     8.04471     260.217     
1 1 1 3  32 24 o 11.6762 3.9991  -2.92785     2.95336  -0.611263    1.65347  0.496452    307.669     8.32892     307.669     
1 1 1 3  32 25 o 19.8849 5.75823 0.32654      3.20958  7.50575      3.20162  8.696       232.598     3.4641      232.598     
1 1 1 3  32 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  32 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  33 0  o 10.5251 5.02694 -0.154613    2.37893  -0.154613    2.37893  9.44741     90          33.1421     90          
1 1 1 3  33 1  o 15.5643 4.91387 0.323325     2.54218  1.47411      2.31695  1.10201     281.945     16.6201     101.945     
1 1 1 3  33 2  o 15.3492 4.81707 0.524432     2.22379  1.38668      2.32607  0.392844    342.538     19.7046     342.538     
1 1 1 3  33 3  o 19.8253 5.45153 2.71737      2.31933  3.92424      2.47841  2.80464     261.333     20.4978     81.3326     
1 1 1 3  33 4  o 27.9766 5.25448 8.29458      2.42229  4.5574       2.39092  20.0493     204.022     3.05409     204.022     
1 1 1 3  33 5  o 20.6087 5.24477 4.61144      2.21192  2.38183      2.19373  4.80927     206.816     17.5648     26.8163     
1 1 1 3  33 6  o 17.7442 5.09869 2.4042       1.91967  2.21998      2.50976  8.19122     203.907     0.349572    203.907     
1 1 1 3  33 7  o 18.0135 5.64641 3.77741      3.64318  1.28218      2.49752  0.747311    105.616     21.7067     285.616     
1 1 1 3  33 8  o 18.5667 5.54236 0.238288     2.96866  4.52086      2.86139  7.57195     129.7       1.78298     129.7       
1 1 1 3  33 9  o 16.5937 5.30744 2.31359      2.43355  -1.66397     4.22561  5.52667     120.251     3.81242     300.251     
1 1 1 3  33 10 o 13.0421 4.39485 -0.271966    2.3569   -2.26849     2.60483  0.383841    211.439     1.18126     31.4388     
1 1 1 3  33 11 f 14.1461 4.6086  -5.35631     3.15858  1.78481      2.30734  5.05196     327.041     0           0           
1 1 1 3  33 12 f 19.6014 5.9407  3.66556      3.27977  3.41798      3.12919  14.7863     28.8986     0           0           
1 1 1 3  33 13 o 18.051  5.56039 -0.151397    2.34771  5.3449       3.45834  4.79987     1.77221     5.24332     181.772     
1 1 1 3  33 14 o 21.289  5.26652 0.0717453    2.57518  6.88354      2.60712  6.49783     303.661     1.02495     303.661     
1 1 1 3  33 15 o 14.9354 4.88885 -0.535899    3.29534  0.855766     2.21372  1.60672     289.585     16.9018     289.585     
1 1 1 3  33 16 o 17.7487 5.27649 3.07941      2.48005  1.79826      2.45202  3.33865     49.0011     10.8803     229.001     
1 1 1 3  33 17 o 16.6144 5.37592 1.65919      4.0607   1.56211      2.32846  3.2237      249.063     4.07012     69.0631     
1 1 1 3  33 18 o 14.6291 4.73369 -1.77345     3.24428  1.64729      2.09579  1.63954     274.198     3.20579     94.1975     
1 1 1 3  33 19 o 18.1125 5.50418 4.535        3.33446  2.22364      2.16821  6.94182     71.9105     3.14933     251.91      
1 1 1 3  33 20 o 13.3002 4.43152 -1.87438     3.15215  0.628754     1.91396  1.79274     199.866     2.89146     19.8658     
1 1 1 3  33 21 f 15.3945 5.08688 4.02061      3.20235  -4.26432     3.26001  6.01083     19.7838     0           0           
1 1 1 3  33 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  33 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  34 0  o 8.74732 4.38408 -2.09759     2.4646   -2.09759     2.4646   2.41546     270         6.5984      270         
1 1 1 3  34 1  o 19.1993 5.75357 3.36272      3.43638  3.23157      2.55978  3.11745     348.005     14.2982     168.005     
1 1 1 3  34 2  o 17.0165 5.17879 2.8046       2.41866  0.938121     2.62477  2.30574     107.931     9.81107     287.931     
1 1 1 3  34 3  o 17.434  5.13003 0.726722     2.39476  3.4767       2.36694  3.31518     133.661     5.49129     313.661     
1 1 1 3  34 4  o 12.3709 4.23852 -1.10635     2.53756  -2.66733     2.45514  0.952984    235.235     6.1509      235.235     
1 1 1 3  34 5  f 14.7985 4.79795 -0.347076    2.29317  1.41659      2.64653  13.4278     186.277     0           0           
1 1 1 3  34 6  o 15.8139 5.13796 1.88858      3.07168  0.137556     2.62046  1.27923     140.097     2.54861     320.097     
1 1 1 3  34 7  o 17.9617 5.55292 4.68901      3.11989  -0.233834    3.04892  4.09541     298.953     2.63877     118.953     
1 1 1 3  34 8  o 19.9992 5.74306 4.9712       2.73515  2.46896      3.07876  7.44669     258.881     4.74793     78.8814     
1 1 1 3  34 9  o 15.3811 4.98408 1.33071      2.53973  0.556185     2.83551  1.01223     305.698     1.34785     125.698     
1 1 1 3  34 10 o 16.9383 5.2118  4.05127      2.72601  -0.189644    2.64829  3.46282     66.3325     1.50337     246.333     
1 1 1 3  34 11 o 17.4036 5.15585 -3.55348     3.44404  5.03356      2.58548  5.48951     113.907     5.50521     293.907     
1 1 1 3  34 12 o 13.6269 4.66639 -5.8739      3.28501  1.61499      3.05002  1.51638     52.6205     6.5062      232.621     
1 1 1 3  34 13 o 15.5118 5.38333 -3.13578     3.7945   3.44878      4.6776   3.82672     285.811     2.57837     105.811     
1 1 1 3  34 14 o 16.088  5.24132 1.56797      3.87927  1.89596      2.40396  4.98858     234.864     0.632507    54.8643     
1 1 1 3  34 15 o 18.3813 5.76673 7.9086       3.96805  0.11969      2.40263  6.23385     250.919     9.84006     70.9195     
1 1 1 3  34 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  34 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 0  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 3  35 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  0  0  o 707.267 3.1568  2724.2       34.3781  2724.2       34.3781  726.389     1.44566e-06 116.974     1.44566e-06 
1 1 1 4  0  1  o 462.117 2.14423 1162.99      15.2571  1162.99      15.2571  316.529     270         239.709     90          
1 1 1 4  0  2  o 921.258 2.32986 4621.78      33.0513  4621.78      33.0513  890.218     360         40.6785     360         
1 1 1 4  0  3  o 501.492 1.86946 1369.51      14.4359  1369.51      14.4359  523.768     270         100.63      270         
1 1 1 4  0  4  o 482.319 1.86635 1266.81      13.8608  1266.81      13.8608  438.355     1.60237e-06 33.8058     180         
1 1 1 4  0  5  o 250.368 1.83352 341.432      7.06723  341.432      7.06723  99.8622     90          272.791     270         
1 1 1 4  0  6  o 99.0914 1.85762 53.5798      2.83004  53.5798      2.83004  53.8741     360         55.3483     180         
1 1 1 4  0  7  o 201.745 1.83605 221.74       5.70184  221.74       5.70184  222.796     90          65.4308     90          
1 1 1 4  0  8  o 6.6273  2.85311 0.209737     0.546358 0.209737     0.546358 77.4953     180         155.773     180         
1 1 1 4  0  9  f 7.4155  3.09108 0.337439     0.60213  0.337439     0.60213  120.714     90          0           0           
1 1 1 4  0  10 o 167.592 1.98623 153.084      5.12269  153.084      5.12269  137.928     360         39.1432     180         
1 1 1 4  0  11 o 208.554 2.1261  237.014      6.82481  237.014      6.82481  296.438     270         226.871     270         
1 1 1 4  0  12 o 158.751 1.98022 137.364      4.83743  137.364      4.83743  72.7693     360         152.843     180         
1 1 1 4  0  13 o 229.44  1.85264 286.76       6.5437   286.76       6.5437   227.74      270         24.3275     270         
1 1 1 4  0  14 o 672.369 1.94301 2461.73      20.1167  2461.73      20.1167  713.253     180         163.969     180         
1 1 1 4  0  15 o 474.399 1.88827 1225.52      13.7933  1225.52      13.7933  522.094     270         154.155     270         
1 1 1 4  0  16 o 265.293 1.85809 383.326      7.58904  383.326      7.58904  268.518     360         39.77       360         
1 1 1 4  0  17 o 110.986 1.92135 67.1909      3.27927  67.1909      3.27927  75.4115     270         45.991      90          
1 1 1 4  0  18 o 341.33  2.14966 634.542      11.2968  634.542      11.2968  214.818     180         208.869     8.79003e-06 
1 1 1 4  0  19 o 179.947 2.17612 176.474      6.02601  176.474      6.02601  149.359     90          37.389      270         
1 1 1 4  0  20 o 207.733 2.19776 235.139      7.02679  235.139      7.02679  131.843     180         124.029     360         
1 1 1 4  0  21 o 294.538 2.67058 472.679      12.1081  472.679      12.1081  314.027     90          78.9886     90          
1 1 1 4  0  22 o 28.9241 4.38982 5.13864      1.71651  5.13864      1.71651  5.5015      5.22215e-05 11.9449     5.22215e-05 
1 1 1 4  0  23 o 215.057 2.22049 252.027      7.34994  252.027      7.34994  238.187     90          76.9353     90          
1 1 1 4  0  24 o 222.409 2.21315 269.555      7.57634  269.555      7.57634  235.79      180         58.6522     180         
1 1 1 4  0  25 o 246.652 1.89231 331.427      7.1854   331.427      7.1854   260.166     270         63.0346     270         
1 1 1 4  0  26 o 20.5568 4.74073 2.93367      1.32868  2.93367      1.32868  33.9658     180         74.7608     180         
1 1 1 4  0  27 o 189.37  1.91102 195.436      5.57016  195.436      5.57016  161.038     270         27.9399     90          
1 1 1 4  0  28 o 86.1442 2.07555 40.5635      2.74602  40.5635      2.74602  86.688      180         32.763      180         
1 1 1 4  0  29 o 195.244 1.91548 207.763      5.75647  207.763      5.75647  193.975     270         28.2744     270         
1 1 1 4  0  30 o 157.234 1.93574 134.797      4.68368  134.797      4.68368  119.459     360         50.2305     180         
1 1 1 4  0  31 o 68.7867 2.22443 25.9429      2.34494  25.9429      2.34494  31.5149     90          58.9426     270         
1 1 1 4  0  32 o 265.974 1.91561 385.521      7.84394  385.521      7.84394  237.132     180         13.0619     8.65197e-06 
1 1 1 4  0  33 o 215.029 1.92933 252.035      6.38611  252.035      6.38611  237.653     90          82.0833     90          
1 1 1 4  0  34 o 124.157 2.01414 84.1266      3.84622  84.1266      3.84622  143.097     180         59.6043     180         
1 1 1 4  0  35 o 12.3385 4.97794 1.07224      1.48339  1.07224      1.48339  0.624693    89.9977     1.35873     89.9977     
1 1 1 4  0  36 o 319.009 1.93143 554.685      9.48637  554.685      9.48637  292.985     180         6.16663     180         
1 1 1 4  0  37 o 251.179 1.94475 343.973      7.52003  343.973      7.52003  264.802     90          74.0682     90          
1 1 1 4  0  38 o 83.5861 2.24414 38.266       2.87904  38.266       2.87904  40.7523     180         69.7494     8.6516e-06  
1 1 1 4  0  39 o 55.0736 2.93363 16.8489      2.45469  16.8489      2.45469  7.42093     270         5.59261     270         
1 1 1 4  0  40 o 101.037 2.42484 55.9324      3.76285  55.9324      3.76285  94.2293     180         6.4691      180         
1 1 1 4  0  41 o 59.4784 2.98083 19.6497      2.69805  19.6497      2.69805  25.5225     90.0003     20.9971     90.0003     
1 1 1 4  0  42 o 95.3369 3.1177  50.1495      4.55467  50.1495      4.55467  108.987     180         47.085      180         
1 1 1 4  0  43 o 10.9761 4.81505 0.488253     1.6255   0.488253     1.6255   5.75077     270         14.9844     270         
1 1 1 4  0  44 o 89.3105 2.60385 43.965       3.56716  43.965       3.56716  89.2674     1.56248e-06 19.2617     1.56248e-06 
1 1 1 4  0  45 o 22.3026 5.51082 3.62795      1.7122   3.62795      1.7122   13.2809     270         2.4941      90          
1 1 1 4  0  46 o 39.3933 3.27446 8.91535      1.91445  8.91535      1.91445  43.3471     360         17.1254     360         
1 1 1 4  0  47 o 77.2916 2.31237 32.9796      2.74096  32.9796      2.74096  75.9607     90          15.1931     90          
1 1 1 4  0  48 o 54.5837 2.72235 16.6715      2.26158  16.6715      2.26158  50.3488     180         4.41087     180         
1 1 1 4  0  49 o 22.1855 5.86186 3.7692       1.86571  3.7692       1.86571  8.15705     90          22.6051     270         
1 1 1 4  0  50 o 20.2432 5.69892 3.24607      1.71712  3.24607      1.71712  11.215      360         11.8754     180         
1 1 1 4  0  51 o 34.9451 3.92796 7.37196      1.95394  7.37196      1.95394  43.3255     270         26.4813     270         
1 1 1 4  0  52 o 8.44717 4.04244 -0.627839    1.55327  -0.627839    1.55327  5.43643     180         15.9417     180         
1 1 1 4  0  53 o 11.451  4.97478 0.780778     1.69527  0.780778     1.69527  2.43727     270         17.1195     270         
1 1 1 4  0  54 o 10.0966 4.62765 0.167664     1.7053   0.167664     1.7053   0.252263    180         2.43463     180         
1 1 1 4  0  55 o 49.6342 3.08285 14.2879      2.3126   14.2879      2.3126   53.1991     90          20.6936     90          
1 1 1 4  0  56 o 12.1065 5.26134 1.03057      1.89771  1.03057      1.89771  2.68688     360         8.28265     180         
1 1 1 4  0  57 o 10.3191 4.83401 -0.0138118   2.0184   -0.0138118   2.0184   0.294666    270         4.11755     90          
1 1 1 4  0  58 o 19.6181 7.40184 4.31786      3.04194  4.31786      3.04194  19.02       180         7.17459     180         
1 1 1 4  0  59 o 13.7179 5.73503 1.81318      2.08354  1.81318      2.08354  5.21677     270         11.0264     90          
1 1 1 4  0  60 o 9.04286 4.45327 -1.25708     2.22406  -1.25708     2.22406  0.611989    8.65147e-06 8.74198     8.65148e-06 
1 1 1 4  0  61 o 11.3998 5.12956 0.880716     1.97611  0.880716     1.97611  0.260207    270         0.44786     89.9998     
1 1 1 4  0  62 o 35.2518 4.70881 8.41908      2.29024  8.41908      2.29024  42.204      180         25.8201     180         
1 1 1 4  0  63 o 8.99247 4.36839 -0.570701    1.96506  -0.570701    1.96506  1.67253     90          8.15901     90          
1 1 1 4  0  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  1  0  o 401.232 1.8449  876.686      11.3977  876.686      11.3977  491.444     180         225.259     180         
1 1 1 4  1  1  o 417.839 1.84672 956.646      11.8839  944.89       11.8804  415.133     50.4978     51.4759     50.4978     
1 1 1 4  1  2  o 447.627 1.92203 1106.26      12.7953  1076.2       13.6731  420.159     351.576     4.09786     351.576     
1 1 1 4  1  3  o 336.739 1.99874 642.038      9.5646   593.513      11.0412  281.606     26.286      61.5594     206.286     
1 1 1 4  1  4  o 395.902 1.91654 877.515      11.2778  829.992      12.0494  299.849     127.558     138.94      307.558     
1 1 1 4  1  5  o 334.054 1.99007 622.181      9.48305  593.498      10.9038  263.387     18.2415     92.8513     198.242     
1 1 1 4  1  6  o 342.476 2.2626  660.988      9.7516   617.146      13.6482  371.956     96.467      112.823     96.467      
1 1 1 4  1  7  o 383.183 1.99589 802.516      10.9165  796.957      12.5731  285.265     345.488     142.891     165.488     
1 1 1 4  1  8  o 69.1315 1.98897 25.9031      2.18929  26.248       2.03246  69.8046     153.524     244.191     153.524     
1 1 1 4  1  9  o 71.0185 1.91311 27.2869      2.08677  27.7387      2.08987  0.690957    202.239     4.73139     22.2391     
1 1 1 4  1  10 o 100.498 1.86914 55.1842      2.88682  54.9152      2.89333  47.0031     346.804     38.0623     166.804     
1 1 1 4  1  11 o 146.85  1.84525 113.414      4.16698  121.565      4.17492  66.1628     309.744     121.144     129.744     
1 1 1 4  1  12 o 460.078 1.87941 1164.77      13.32    1140.95      13.3092  406.566     102.797     42.646      282.797     
1 1 1 4  1  13 o 61.3436 2.00978 20.8389      1.89465  20.2395      1.89173  50.5594     173.331     176.397     173.331     
1 1 1 4  1  14 o 337.168 1.92804 606.04       10.3197  632.265      9.67368  349.356     162.105     80.7178     162.105     
1 1 1 4  1  15 o 452.714 2.02977 1124.41      15.1194  1107.81      13.1247  446.532     316.424     53.6727     316.424     
1 1 1 4  1  16 f 315.449 1.93225 520.968      9.65565  563.188      9.07406  244.184     165.921     0           0           
1 1 1 4  1  17 o 280.214 2.06651 417.37       8.55904  437.947      9.2739   200.455     209.714     112.425     29.7141     
1 1 1 4  1  18 o 682.748 2.24563 2561.52      23.6181  2515.88      23.5998  693.567     350.826     116.027     350.826     
1 1 1 4  1  19 o 532.838 2.2051  1543.8       18.0965  1548.68      18.0897  574.299     131.645     162.286     131.645     
1 1 1 4  1  20 o 225.671 2.11132 269.844      7.06075  284.972      7.61387  178.573     268.199     44.9332     88.1994     
1 1 1 4  1  21 o 331.574 2.29223 596.692      12.2183  600.935      11.1617  318.269     1.1489      34.9141     1.1489      
1 1 1 4  1  22 o 138.39  2.48762 98.1173      5.28017  110.805      5.30375  101.252     112.816     8.58923     112.816     
1 1 1 4  1  23 o 22.6744 4.16015 1.78309      1.53067  3.99804      1.51222  40.9668     108.158     86.7145     108.158     
1 1 1 4  1  24 o 85.5921 2.24882 37.4095      2.95031  42.6094      2.9583   29.4888     35.6455     40.6059     215.646     
1 1 1 4  1  25 o 88.9068 2.22241 40.7107      3.03258  45.6014      3.0358   30.8859     260.268     75.5078     80.2683     
1 1 1 4  1  26 o 28.5722 3.37951 4.67136      1.45032  4.47794      1.41862  9.52508     23.6343     23.7089     23.6343     
1 1 1 4  1  27 o 84.5533 2.0687  41.0428      2.68978  37.021       2.68393  56.5633     190.019     13.6503     10.0187     
1 1 1 4  1  28 o 173.833 1.98322 168.015      5.4765   161.376      5.14083  139.282     26.7931     33.2081     206.793     
1 1 1 4  1  29 o 78.9537 2.20468 32.9866      2.75578  35.1033      2.58431  43.8925     30.8273     25.5553     30.8273     
1 1 1 4  1  30 o 149.887 1.94782 122.651      4.49721  122.262      4.49431  137.568     261.313     10.9111     261.313     
1 1 1 4  1  31 o 79.7499 2.22522 34.1808      2.62909  35.299       2.82466  46.8524     105.445     33.6284     285.445     
1 1 1 4  1  32 o 88.7097 2.1737  43.7376      3.07868  42.2063      2.84996  72.9779     41.0594     1.44008     41.0597     
1 1 1 4  1  33 o 243.787 1.92521 328.635      7.23765  319.469      7.21621  251.827     140.622     63.1464     140.622     
1 1 1 4  1  34 o 189.579 1.94374 198.494      5.67668  193.474      5.67141  163.192     172.456     14.7401     352.456     
1 1 1 4  1  35 o 114.811 2.05457 68.5764      3.61374  75.3473      3.64294  84.2357     60.6633     33.31       240.663     
1 1 1 4  1  36 o 161.264 1.98284 148.461      4.9408   135.417      4.90105  158.999     326.042     31.4057     326.042     
1 1 1 4  1  37 o 30.7648 3.92466 5.22447      1.77461  5.48341      1.80719  0.626786    313.147     26.2435     133.147     
1 1 1 4  1  38 o 55.4197 2.71732 16.6602      2.36079  17.1107      2.2448   42.4952     46.0493     4.01647     226.049     
1 1 1 4  1  39 o 29.6175 4.18986 4.78556      1.84763  5.2395       1.84023  10.7715     316.14      64.3166     316.14      
1 1 1 4  1  40 o 47.5968 3.22856 11.6991      2.32287  13.4795      2.34272  28.1695     203.175     17.3617     23.1747     
1 1 1 4  1  41 o 14.6809 4.37095 0.584347     1.69312  -0.331751    1.70573  20.0248     33.1154     51.5922     33.1154     
1 1 1 4  1  42 o 145.474 2.58354 109.539      5.77643  123.444      5.7771   145.737     128.789     33.7278     128.789     
1 1 1 4  1  43 o 55.6531 3.11165 18.3861      2.62749  16.1674      2.65116  45.3081     183.874     3.66347     3.87351     
1 1 1 4  1  44 o 61.9608 2.72367 21.3386      2.33528  21.2985      2.81125  64.3494     231.347     22.3555     231.347     
1 1 1 4  1  45 o 70.7143 2.53822 28.0238      2.75168  27.4467      2.75776  59.7505     146.291     3.69551     326.292     
1 1 1 4  1  46 o 64.1552 2.45489 22.8163      2.40771  22.915       2.42469  49.3881     148.426     12.5517     328.426     
1 1 1 4  1  47 o 58.3977 2.69108 15.4531      2.39757  23.0692      2.31658  53.4125     202.995     6.56617     202.995     
1 1 1 4  1  48 o 37.6871 3.36377 8.29458      1.90404  8.01912      1.91261  26.5559     147.367     10.0356     327.367     
1 1 1 4  1  49 o 11.1264 3.62071 -0.307266    1.44542  -1.95473     1.48525  0.0267331   184.977     8.51285     184.977     
1 1 1 4  1  50 o 64.9788 2.54042 22.4079      2.5199   25.1754      2.53817  51.1604     51.8211     10.0707     231.821     
1 1 1 4  1  51 o 14.6293 4.27801 1.12326      1.6037   -0.100817    1.59834  1.5916      240.633     12.6917     60.6328     
1 1 1 4  1  52 o 72.6464 2.47823 32.5284      2.74718  27.2114      2.76133  61.0413     83.5218     2.85357     263.522     
1 1 1 4  1  53 o 28.5445 4.38406 4.20061      1.88651  6.17564      1.87253  21.6001     314.245     1.50584     134.245     
1 1 1 4  1  54 o 21.5453 4.70476 1.93661      1.81176  4.10189      1.78513  14.029      216.089     7.16467     216.089     
1 1 1 4  1  55 o 14.0866 4.37219 -1.04492     1.77192  1.13288      1.96416  5.41177     339.622     5.24929     159.622     
1 1 1 4  1  56 o 15.5843 4.51599 -0.266345    1.8405   1.99916      1.80388  7.31636     321.726     2.01138     141.726     
1 1 1 4  1  57 o 21.5197 5.36677 4.59659      2.32354  2.187        2.26663  10.7011     5.91317     11.4734     185.913     
1 1 1 4  1  58 o 14.724  4.69035 0.992464     2.54256  -0.255032    1.88168  7.68953     142.002     3.96391     322.002     
1 1 1 4  1  59 o 14.7332 4.65877 1.87483      2.29402  -1.86169     2.28863  7.31125     181.119     2.7593      1.11914     
1 1 1 4  1  60 o 15.1062 4.64101 -0.381217    1.92899  2.12907      2.18275  7.5913      76.5325     2.17834     256.533     
1 1 1 4  1  61 o 18.3653 4.95697 1.09334      2.18473  3.75995      2.0154   11.7557     19.3322     1.37018     19.3322     
1 1 1 4  1  62 o 16.8963 4.93781 1.40293      2.05187  2.59749      2.15625  5.55588     232.785     5.90239     52.7855     
1 1 1 4  1  63 o 16.7514 4.91549 2.43595      2.08262  1.99269      2.08909  7.86186     326.703     1.26727     146.703     
1 1 1 4  1  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  2  0  o 305.074 1.82969 506.879      8.59414  506.879      8.59414  104.6       360         366.466     180         
1 1 1 4  2  1  o 215.086 1.82184 258.188      6.03644  245.752      6.02921  192.69      130.084     0.738383    310.084     
1 1 1 4  2  2  o 395.79  1.9906  845.056      11.2425  861.233      12.9754  316.628     157.719     104.59      337.719     
1 1 1 4  2  3  o 286.087 1.97544 446.49       8.06278  444.988      9.2966   288.355     68.9449     53.221      68.9449     
1 1 1 4  2  4  o 523.13  1.87912 1522.35      15.1307  1458.76      15.1389  514.874     144.945     51.2676     144.945     
1 1 1 4  2  5  o 166.159 1.83017 164.58       4.67757  136.782      4.65967  68.7753     264.571     158.475     84.5709     
1 1 1 4  2  6  o 63.9125 1.90674 25.5433      1.85826  19.2539      1.85777  18.9268     42.9658     104.603     42.9658     
1 1 1 4  2  7  o 269.132 1.99233 405.856      7.61922  383.372      8.81231  265.562     328         41.7404     328         
1 1 1 4  2  8  o 293.272 1.90183 453.525      8.2906   483.674      8.88918  205.039     218.9       130.385     38.9002     
1 1 1 4  2  9  o 271.644 1.98032 396.754      7.68775  407.18       8.85263  243.57      238.41      8.07778     58.41       
1 1 1 4  2  10 o 270.582 2.10161 399.605      7.69016  398.053      9.703    273.421     298.282     56.8453     298.282     
1 1 1 4  2  11 o 269.04  1.84849 402.369      7.66152  386.169      7.65255  289.048     3.70908     93.747      3.70908     
1 1 1 4  2  12 o 241.268 1.84968 323.631      6.87307  310.472      6.86887  253.438     179.867     77.9951     179.867     
1 1 1 4  2  13 o 251.694 1.8533  361.514      7.1871   328.853      7.16784  213.575     326.889     28.2562     146.889     
1 1 1 4  2  14 o 378.828 1.93123 757.529      10.8888  805.871      11.6456  320.811     150.318     58.6765     330.319     
1 1 1 4  2  15 o 224.359 1.85915 280.118      6.42918  268.164      6.4151   216.24      15.0339     33.013      15.0339     
1 1 1 4  2  16 o 354.515 1.86798 690.026      10.2008  678.773      10.1939  310.707     30.1653     31.8985     210.165     
1 1 1 4  2  17 o 391.452 2.0043  830.83       12.0798  838.107      12.0837  371.371     25.0786     20.2376     25.0786     
1 1 1 4  2  18 o 52.9347 2.70605 16.5808      2.29534  14.1519      2.0876   13.2781     157.421     54.8333     157.421     
1 1 1 4  2  19 o 36.2531 3.41684 9.1239       1.99044  5.66127      1.70104  29.2205     207.82      70.5172     207.82      
1 1 1 4  2  20 o 167.477 2.29645 151.779      6.15497  153.756      5.677    132.081     282.654     18.1741     102.654     
1 1 1 4  2  21 o 532.073 2.2158  1532.16      18.1514  1551.72      18.1576  450.277     49.6569     81.6019     229.657     
1 1 1 4  2  22 o 412.926 2.41115 932.983      15.3253  924.671      15.3375  442.872     180.993     133.415     180.993     
1 1 1 4  2  23 o 248.387 2.19392 331.461      8.37994  340.736      8.40215  175.895     57.069      94.4232     237.069     
1 1 1 4  2  24 o 284.57  1.95556 444.947      8.86279  437.3        8.27037  303.444     117.921     94.8061     117.921     
1 1 1 4  2  25 o 23.759  4.11536 3.25423      1.49177  3.15512      1.49551  25.8736     156.276     57.9968     156.276     
1 1 1 4  2  26 o 31.0756 3.54925 4.57523      1.61956  6.29833      1.63682  36.4437     262.776     94.3655     262.776     
1 1 1 4  2  27 o 75.0829 2.14186 32.4369      2.48388  29.1544      2.45484  44.0538     314.492     7.23467     314.492     
1 1 1 4  2  28 o 150.342 1.94218 121.642      4.49187  124.719      4.5004   117.856     228.308     31.4703     48.3078     
1 1 1 4  2  29 o 73.0852 2.15467 30.2659      2.42088  28.0923      2.41594  52.0583     23.1823     7.28258     23.1823     
1 1 1 4  2  30 o 253.643 1.90566 356.642      7.44444  344.733      7.44037  226.722     298.008     6.5047      118.009     
1 1 1 4  2  31 o 124.052 2.04495 83.2589      3.78698  84.5478      4.02384  122.71      322.295     34.2872     322.295     
1 1 1 4  2  32 o 211.956 1.92415 251.176      6.28173  238.748      6.27582  164.683     183.785     53.2441     3.78453     
1 1 1 4  2  33 o 128.957 1.99624 92.9067      3.96929  88.4801      3.95745  161.948     133.325     105.764     133.325     
1 1 1 4  2  34 o 188.395 1.95279 195.52       5.66586  191.569      5.66416  178.848     95.1885     19.5229     95.1885     
1 1 1 4  2  35 o 26.4965 4.16829 3.74634      1.65752  4.26185      1.65777  10.1024     277.715     37.826      277.715     
1 1 1 4  2  36 o 139.436 2.01349 104.881      4.31781  107.263      4.32846  116.638     79.0599     13.7889     259.06      
1 1 1 4  2  37 o 128.577 2.04902 87.1206      4.05418  93.3793      4.05606  122.275     83.1556     17.6547     83.1556     
1 1 1 4  2  38 o 21.8677 4.6413  3.44923      1.75524  1.83698      1.69582  4.1858      330.71      20.8092     330.71      
1 1 1 4  2  39 o 141.643 2.32464 106.982      5.06572  112.505      5.07279  134.501     111.775     17.7317     111.775     
1 1 1 4  2  40 o 74.9085 2.75535 31.0298      3.02948  30.7098      3.29767  69.4351     230.637     13.1832     230.637     
1 1 1 4  2  41 o 39.5928 3.73291 11.5494      2.1909   6.46525      2.10792  25.4976     204.006     3.2033      24.0062     
1 1 1 4  2  42 o 73.5046 2.52464 32.6384      2.85463  27.0259      2.82613  77.9577     344.971     31.3069     344.971     
1 1 1 4  2  43 o 28.8722 4.77898 5.2618       1.98543  4.54446      2.1962   13.8521     71.3707     13.3535     251.371     
1 1 1 4  2  44 o 63.1644 2.54651 22.4067      2.36538  21.8036      2.56033  46.4475     252.962     16.9612     72.9623     
1 1 1 4  2  45 f 20.7857 4.65644 1.59072      1.70323  3.26291      1.73631  5.31708     16.9582     0           0           
1 1 1 4  2  46 o 66.3939 2.64271 21.8251      2.6739   27.4687      2.67953  71.6678     332.072     29.2496     332.072     
1 1 1 4  2  47 f 77.1877 2.41693 32.2948      2.9425   33.9571      2.78045  54.5004     236.265     0           0           
1 1 1 4  2  48 o 24.0271 4.45392 2.81349      1.67391  4.17695      1.69778  11.8491     355.319     13.478      175.319     
1 1 1 4  2  49 o 34.1855 3.65058 6.67423      1.82472  7.0091       1.89934  35.7761     221.544     15.949      221.544     
1 1 1 4  2  50 o 28.5564 4.24657 4.12118      1.79051  5.88752      1.83261  24.8239     167.521     5.3589      167.521     
1 1 1 4  2  51 o 13.9938 4.21448 0.492398     1.59064  0.054313     1.60706  1.96361     108.453     21.2941     108.453     
1 1 1 4  2  52 o 18.9001 4.53567 3.18911      1.6975   0.77671      1.67563  0.375271    288.747     27.5685     108.747     
1 1 1 4  2  53 o 30.0766 4.53086 5.07046      2.13252  6.49198      1.93725  18.6889     329.616     11.1342     149.616     
1 1 1 4  2  54 o 23.3929 4.7982  5.32939      1.92055  1.77724      2.1273   19.0244     8.24527     5.25113     8.24526     
1 1 1 4  2  55 o 24.4944 5.00337 4.42111      1.97569  3.94565      2.01776  17.8995     108.913     2.6116      288.913     
1 1 1 4  2  56 o 17.6519 4.90599 2.01719      1.93045  1.62782      1.98227  9.8356      167.263     3.42645     347.263     
1 1 1 4  2  57 o 19.2615 5.20388 2.28161      2.1525   2.81357      2.1566   9.15989     45.6857     4.75594     45.6857     
1 1 1 4  2  58 o 21.7031 5.25088 2.38727      2.26682  4.73965      2.16494  14.684      86.7912     4.26357     266.791     
1 1 1 4  2  59 o 16.9542 5.18346 1.06152      2.48926  2.07262      2.49667  8.16234     235.626     3.38758     235.626     
1 1 1 4  2  60 o 25.5447 5.34175 6.54134      2.34321  4.21089      2.25388  20.1761     76.5342     0.950496    76.5342     
1 1 1 4  2  61 o 22.2974 5.38325 2.49209      2.52568  5.91066      2.33262  15.3931     307.427     1.53772     127.427     
1 1 1 4  2  62 o 42.1976 3.84567 11.7567      2.41589  12.4159      2.46531  47.8778     118.693     31.0138     118.693     
1 1 1 4  2  63 o 16.1246 4.72152 3.30974      2.07153  0.096932     2.03425  5.86634     293.954     8.94546     113.954     
1 1 1 4  2  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  3  0  o 117.935 1.83504 75.8441      3.3289   75.8441      3.3289   103.425     180         26.5406     180         
1 1 1 4  3  1  o 428.553 1.99712 1016.62      14.1154  984.011      12.2025  397.57      45.2073     3.08485     225.208     
1 1 1 4  3  2  o 337.583 2.10807 601.779      12.1049  639.92       9.58113  215.828     349.737     195.254     169.737     
1 1 1 4  3  3  o 49.3402 1.99576 11.4216      1.44968  15.3274      1.55932  13.2154     327.215     43.0646     327.215     
1 1 1 4  3  4  o 177.048 1.82433 171.205      4.97452  170.23       4.97299  48.2236     312.521     222.593     132.521     
1 1 1 4  3  5  o 86.927  1.91928 48.3934      2.648    34.579       2.45773  23.6265     281.928     60.3937     101.928     
1 1 1 4  3  6  o 491.366 1.8753  1321.27      14.2007  1308.86      14.1781  454.854     249.879     6.95095     69.8793     
1 1 1 4  3  7  o 105.5   1.85254 57.5409      3.0012   63.8288      3.0096   48.5474     194.034     9.18414     194.034     
1 1 1 4  3  8  o 345.765 1.85133 667.121      9.85799  635.445      9.85226  308.715     247.485     20.8086     67.4852     
1 1 1 4  3  9  o 267.568 1.83854 388.368      7.57358  391.519      7.57682  302.071     119.109     124.349     119.109     
1 1 1 4  3  10 o 80.4191 1.90853 39.7         2.36338  31.0917      2.33358  13.263      143.505     40.7781     323.505     
1 1 1 4  3  11 o 161.675 2.00115 142.852      4.60475  141.879      5.33041  152.119     23.4529     41.5143     23.4529     
1 1 1 4  3  12 o 239.285 2.12787 318.323      6.83371  305.432      8.69547  213.344     210.67      2.90511     30.6699     
1 1 1 4  3  13 o 90.1054 2.03051 42.9542      2.61699  45.5852      3.00672  27.4748     129.436     56.2551     309.436     
1 1 1 4  3  14 o 214.672 1.99388 243.268      6.12129  258.767      7.05217  236.139     1.77702     99.05       1.77702     
1 1 1 4  3  15 o 518.342 1.8976  1460.1       15.146   1466.07      15.1469  446.825     317.909     69.7147     137.909     
1 1 1 4  3  16 f 316.727 1.99127 563.979      9.71851  528.866      9.69843  295.206     175.084     0           0           
1 1 1 4  3  17 o 180.078 2.17145 178.638      6.02338  174.575      6.01894  155.885     290.19      2.82775     110.19      
1 1 1 4  3  18 o 492.968 2.03455 1320.3       15.4482  1326.57      15.441   502.633     348.958     93.8995     348.958     
1 1 1 4  3  19 o 339.266 2.16627 640.772      11.3263  613.098      11.3046  337.924     322.435     57.7288     322.435     
1 1 1 4  3  20 o 153.832 2.42262 123.834      5.7306   134.056      5.7406   141.826     280.358     61.391      280.358     
1 1 1 4  3  21 o 209.518 2.04529 232.438      6.58947  245.819      6.60469  233.395     256.253     125.336     256.253     
1 1 1 4  3  22 o 174.827 2.13159 164.628      5.9498   168.346      5.51362  96.0224     222.801     109.935     42.8008     
1 1 1 4  3  23 o 284.559 2.43697 442.504      11.6761  439.841      9.58421  249.517     303.36      14.5583     123.36      
1 1 1 4  3  24 o 384.999 2.10943 792.009      12.9399  823.152      12.0345  467.497     28.4201     234.485     28.4201     
1 1 1 4  3  25 o 135.573 1.93214 99.432       4.03614  100.832      4.03104  114.857     13.9374     0.72472     193.937     
1 1 1 4  3  26 f 132.287 2.1001  94.4226      4.27394  96.3014      4.28191  100.147     299.855     0           0           
1 1 1 4  3  27 o 171.527 2.05935 157.453      5.43673  163.256      5.44087  87.8318     26.7358     133.076     206.736     
1 1 1 4  3  28 o 175.744 1.93126 178.208      5.2341   158.708      5.20721  205.084     220.889     100.209     220.889     
1 1 1 4  3  29 f 114.426 1.98707 72.8764      3.50038  69.9145      3.49825  95.2951     12.3603     0           0           
1 1 1 4  3  30 o 178.39  1.92999 181.453      5.3144   165.654      5.2822   159.445     232.079     0.484371    232.081     
1 1 1 4  3  31 o 61.5407 2.29957 21.6745      2.18307  19.7768      2.15742  32.031      54.8797     5.16931     234.88      
1 1 1 4  3  32 f 83.5556 2.20202 38.5853      2.76064  37.68        2.89249  107.55      287.809     0           0           
1 1 1 4  3  33 o 166.249 1.95567 144.29       4.98799  157.259      5.0196   163.694     218.559     30.7154     218.559     
1 1 1 4  3  34 o 167.575 1.9671  159.836      5.089    146.567      5.05724  127.778     123.402     44.7242     303.402     
1 1 1 4  3  35 o 35.8693 3.38229 8.06868      1.82607  6.31418      1.79568  2.74894     185.194     26.4144     5.19376     
1 1 1 4  3  36 o 138.894 2.08183 106.511      4.32521  104.027      4.57316  126.959     284.677     8.42201     284.677     
1 1 1 4  3  37 o 52.9216 3.43598 15.443       2.75259  15.5227      2.78512  41.3419     261.983     6.99041     261.983     
1 1 1 4  3  38 o 14.3741 4.20204 -0.63804     1.56126  0.942292     1.56936  13.04       341.996     32.5144     341.996     
1 1 1 4  3  39 o 103.289 2.27955 57.1768      3.62091  59.6474      3.62036  100.719     140.102     21.6521     140.102     
1 1 1 4  3  40 o 62.4872 2.67692 22.1607      2.56106  20.8458      2.56436  50.6791     67.8805     1.37694     247.881     
1 1 1 4  3  41 o 79.5285 2.73788 35.8754      3.51977  33.8287      3.16459  89.9515     53.7902     46.5761     53.7902     
1 1 1 4  3  42 o 62.2297 2.65845 21.2999      2.5545   21.4872      2.51638  65.1453     77.5243     27.3081     77.5243     
1 1 1 4  3  43 o 82.0998 2.61619 43.062       3.29685  31.8585      3.24931  85.6249     165.062     28.6621     165.062     
1 1 1 4  3  44 o 66.7242 2.78441 26.282       2.83548  23.2685      2.85115  56.7412     134.641     2.39997     314.641     
1 1 1 4  3  45 o 48.4231 2.80296 12.1502      2.05287  14.1076      2.08296  42.4914     10.3106     3.16919     10.3106     
1 1 1 4  3  46 o 45.6966 3.19089 11.7912      2.21102  11.8571      2.22114  33.1711     50.8737     11.0873     230.874     
1 1 1 4  3  47 o 17.4967 4.53333 0.599447     1.80025  2.11528      1.53827  3.78953     343.348     3.53246     163.348     
1 1 1 4  3  48 o 44.0008 2.98876 11.8582      2.00159  10.1387      1.98835  38.2391     37.3882     2.03658     37.3882     
1 1 1 4  3  49 o 22.8544 4.59963 3.00224      1.7065   3.39355      1.69058  15.9786     281.369     2.66896     101.369     
1 1 1 4  3  50 o 51.1628 2.86427 17.5743      2.23527  12.4629      2.19052  48.5407     33.2356     10.1632     33.2356     
1 1 1 4  3  51 f 13.7289 4.20557 0.379847     1.66394  -0.254225    1.62775  12.1328     331.658     0           0           
1 1 1 4  3  52 o 17.7911 4.62175 2.32637      1.68514  1.01018      1.71907  5.68486     264.986     0.880528    84.9865     
1 1 1 4  3  53 f 15.3898 4.47554 0.953879     1.71394  0.753182     1.69808  20.3857     234.3       0           0           
1 1 1 4  3  54 o 36.7426 3.99283 9.68958      2.1691   7.25166      2.16279  37.9419     133.088     16.4359     133.088     
1 1 1 4  3  55 f 24.9795 5.06023 5.07818      2.02666  3.67451      2.12897  15.6299     301.527     0           0           
1 1 1 4  3  56 o 46.967  3.54252 13.6391      2.50783  13.6328      2.53717  49.5989     216.667     21.2119     216.667     
1 1 1 4  3  57 o 21.2006 5.19124 5.59203      2.47328  0.83126      2.08605  15.2455     301.724     0.302761    121.724     
1 1 1 4  3  58 o 15.6358 4.77572 1.38335      2.02335  0.52958      2.22307  7.355       164.709     3.00827     164.709     
1 1 1 4  3  59 o 31.769  5.32322 8.11269      2.57112  7.5553       2.55896  28.411      134.231     6.07985     134.231     
1 1 1 4  3  60 o 19.0658 4.89604 -0.501954    2.05255  5.3734       2.33299  14.1872     329.731     3.84636     329.731     
1 1 1 4  3  61 o 15.4602 4.72299 0.90443      1.95944  1.65611      2.1529   5.04815     122.735     0.668622    302.735     
1 1 1 4  3  62 o 22.1974 5.3755  4.99989      2.3151   3.61933      2.13447  14.4015     303.723     0.997151    303.723     
1 1 1 4  3  63 o 15.8691 4.79911 2.92838      2.20913  0.581051     2.05997  7.17791     45.5826     2.06547     225.583     
1 1 1 4  3  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  4  0  o 230.616 1.8267  289.711      6.4852   289.711      6.4852   176.481     180         81.0218     8.39911e-06 
1 1 1 4  4  1  o 129.233 1.83748 96.5677      3.6562   85.5221      3.64757  65.7973     315.416     83.8781     135.416     
1 1 1 4  4  2  o 84.3223 1.96305 34.3165      2.60082  43.4954      2.44129  11.0208     186.591     148.053     186.591     
1 1 1 4  4  3  o 158.265 1.88942 141.734      4.75936  131.224      4.45167  70.3816     339.205     137.569     159.205     
1 1 1 4  4  4  o 97.566  1.91078 49.2245      2.77361  54.6235      2.96332  31.6373     98.3806     78.747      278.381     
1 1 1 4  4  5  o 231.474 1.9695  304.082      7.53278  279.883      6.50346  138.805     44.8862     143.44      224.886     
1 1 1 4  4  6  o 33.9246 2.37968 6.41665      1.32376  6.24795      1.12303  89.6558     315.002     206.242     315.002     
1 1 1 4  4  7  o 211.412 1.83388 239.19       5.96736  247.731      5.97175  164.43      61.4375     49.091      241.437     
1 1 1 4  4  8  o 243.396 1.89665 334.291      6.86838  311.266      7.31899  126.106     233.299     191.997     53.2986     
1 1 1 4  4  9  o 303.994 1.84126 496.665      8.6152   510.013      8.62225  190.461     217.572     178.535     37.5723     
1 1 1 4  4  10 o 238.694 1.84579 309.663      6.78427  310.92       6.78455  282.301     356.933     149.289     356.933     
1 1 1 4  4  11 o 368.51  1.85431 718.296      10.5123  761.112      10.5267  394.815     254.273     113.42      254.273     
1 1 1 4  4  12 f 162.756 1.86173 138.003      4.65704  150.641      4.66875  20.8188     342.568     0           0           
1 1 1 4  4  13 o 92.9275 1.89583 43.8244      2.69928  50.4199      2.71159  36.0326     122.167     16.2053     302.167     
1 1 1 4  4  14 o 376.589 1.86525 759.326      10.8099  785.318      10.8214  276.327     205.719     143.048     25.7185     
1 1 1 4  4  15 o 533.293 2.05929 1549.92      15.6426  1547.6       18.0892  438.232     148.997     113.992     328.997     
1 1 1 4  4  16 o 412.304 2.27584 920.991      13.7722  930.623      15.1025  290.893     284.677     181.002     104.677     
1 1 1 4  4  17 o 273.508 2.16007 391.033      9.08322  424.089      9.10144  266.739     220.195     38.7793     220.195     
1 1 1 4  4  18 o 348.589 2.02122 640.346      10.0719  683.503      11.6142  215.71      190.426     209.098     10.4257     
1 1 1 4  4  19 o 231.064 2.5379  303.585      8.47318  278.32       9.50046  229.494     99.0216     53.8981     99.0216     
1 1 1 4  4  20 o 185.607 2.40612 183.483      6.87507  191.857      6.87646  101.753     180.579     119.885     0.579431    
1 1 1 4  4  21 o 401.053 1.95404 891.697      12.4596  860.449      11.6741  313.592     113.476     106.045     293.476     
1 1 1 4  4  22 o 181.177 1.91603 182.403      5.34741  175.206      5.34224  198.766     177.365     124.683     177.365     
1 1 1 4  4  23 o 135.849 2.07264 102.256      4.34471  98.8227      4.32625  125.856     100.504     57.6382     100.504     
1 1 1 4  4  24 o 321.003 2.18612 564.197      10.807   558.658      10.8052  336.805     47.0634     90.3593     47.0634     
1 1 1 4  4  25 o 121.765 2.10886 76.2246      3.93447  85.5392      3.96205  58.8338     235.432     92.8101     55.4316     
1 1 1 4  4  26 o 55.4535 2.40792 17.1455      2.12038  16.5092      1.97166  9.44779     96.3349     20.3378     276.335     
1 1 1 4  4  27 o 104.449 2.35692 59.1503      4.06733  59.9264      3.47721  69.7944     287.14      37.7757     107.14      
1 1 1 4  4  28 o 204.923 2.06782 227.902      6.96977  229.886      6.04342  168.111     267.453     33.5242     87.4532     
1 1 1 4  4  29 o 94.7617 2.05785 47.9795      3.00557  50.0267      2.99173  55.8156     44.3486     48.1338     224.349     
1 1 1 4  4  30 o 217.12  1.91442 254.777      6.40246  259.163      6.39858  175.618     167.53      40.012      347.53      
1 1 1 4  4  31 o 36.9375 2.98601 8.32018      1.67337  6.81467      1.64932  10.794      210.932     57.4847     210.932     
1 1 1 4  4  32 o 95.9659 2.07943 47.6895      3.06733  52.9172      3.0648   92.6246     258.919     26.4294     258.919     
1 1 1 4  4  33 o 194.582 1.94169 211.048      5.82426  201.904      5.80983  175.642     315.089     1.64898     315.088     
1 1 1 4  4  34 f 13.8123 4.05185 0.326149     1.39409  0.173769     1.43604  21.4536     110.805     0           0           
1 1 1 4  4  35 o 66.2804 2.39719 24.3161      2.42204  23.7764      2.45433  36.1961     59.6016     35.4726     239.602     
1 1 1 4  4  36 o 245.896 2.01411 336.693      7.34713  323.19       7.88292  241.572     8.4632      41.3475     8.4632      
1 1 1 4  4  37 o 81.8064 2.38226 36.4217      2.9855   36.8367      3.00367  38.8203     18.7578     64.8756     198.758     
1 1 1 4  4  38 o 143.721 2.16631 117.043      4.80821  108.758      4.77676  132.703     15.5704     10.2707     15.5704     
1 1 1 4  4  39 o 105.946 2.26973 57.1884      3.68202  65.8845      3.70261  95.7818     228.252     6.58402     228.252     
1 1 1 4  4  40 o 78.3032 2.57586 34.8669      3.21912  32.5607      2.97651  44.7942     50.2772     45.8928     230.277     
1 1 1 4  4  41 o 111.374 2.41228 70.1379      4.12646  66.1487      4.13508  102.46      53.1871     9.45166     53.1872     
1 1 1 4  4  42 o 63.3995 2.55085 23.7667      2.48025  20.666       2.4708   64.1139     197.256     21.8065     197.256     
1 1 1 4  4  43 f 21.3104 4.4396  2.73828      1.55951  2.50333      1.55283  21.5065     270.307     0           0           
1 1 1 4  4  44 o 44.028  3.40356 11.3327      2.26544  10.5998      2.27174  21.3236     245.323     32.3874     65.3232     
1 1 1 4  4  45 o 64.1335 2.72562 20.5051      2.54147  25.4818      2.81598  61.1249     62.5482     11.7981     62.5482     
1 1 1 4  4  46 o 27.5234 4.26487 5.35328      1.67689  3.68607      1.85097  18.1132     193.331     5.1501      13.3308     
1 1 1 4  4  47 o 47.248  3.16857 14.2494      2.28642  11.1829      2.24363  40.1441     90.4099     0.420978    90.4099     
1 1 1 4  4  48 o 27.1953 4.31385 3.77333      1.77749  5.17984      1.75934  12.0985     146.211     20.1695     326.211     
1 1 1 4  4  49 o 47.1605 2.94697 11.19        2.08109  14.2385      2.13397  46.0634     134.776     12.1046     134.776     
1 1 1 4  4  50 o 31.248  4.01138 5.8652       1.86945  5.92019      1.8487   21.8954     309.456     6.86753     129.456     
1 1 1 4  4  51 o 16.7578 4.49574 0.705987     1.62745  1.95321      1.63717  2.38731     154.846     0.580091    334.846     
1 1 1 4  4  52 f 62.3563 2.6417  23.231       2.51432  21.1091      2.52972  44.5466     355.234     0           0           
1 1 1 4  4  53 o 17.7532 4.78779 1.36048      1.82183  2.06954      1.83335  7.60612     95.8984     7.18047     275.898     
1 1 1 4  4  54 o 44.2429 3.69942 11.1866      2.43803  12.8693      2.49676  43.6176     304.731     13.5304     304.731     
1 1 1 4  4  55 o 37.9113 4.13833 8.99769      2.2442   9.43016      2.43086  31.0123     93.5203     0.989955    273.52      
1 1 1 4  4  56 o 32.5086 4.93777 8.4193       2.28414  6.34178      2.52095  28.5193     48.7543     5.09765     48.7543     
1 1 1 4  4  57 o 18.5914 5.05314 2.95661      2.07181  1.6481       2.05854  8.31336     4.62249     11.1428     184.622     
1 1 1 4  4  58 o 23.4327 5.26753 5.00508      2.09797  3.54671      2.28522  22.6643     195.836     13.0168     195.836     
1 1 1 4  4  59 o 17.2225 4.8476  3.3484       2.07875  0.084297     2.10473  7.71446     29.6647     9.39481     209.665     
1 1 1 4  4  60 o 18.9209 5.433   2.60002      2.60078  3.18682      2.38387  12.8899     135.442     0.492793    135.442     
1 1 1 4  4  61 o 15.9526 4.78737 1.92156      2.08249  1.14246      2.02022  6.13012     351.488     3.85382     171.488     
1 1 1 4  4  62 o 18.3698 5.09587 3.8449       2.15241  1.31476      2.31354  8.26381     189.849     0.184255    9.84894     
1 1 1 4  4  63 o 15.7369 4.8944  2.97611      2.5329   0.58013      2.05708  6.44668     349.871     7.04499     169.871     
1 1 1 4  4  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  5  0  o 179.844 1.82854 176.239      5.06162  176.239      5.06162  171.447     180         5.71866     180         
1 1 1 4  5  1  o 277.034 1.82931 425.397      7.80533  410.722      7.80073  365.771     141.375     245.466     141.375     
1 1 1 4  5  2  o 115.143 1.84474 76.8837      3.26989  67.6893      3.26235  59.6998     309.707     59.1368     129.707     
1 1 1 4  5  3  o 104.465 1.86264 52.9013      2.97434  66.408       2.9873   44.5635     355.722     6.93395     355.722     
1 1 1 4  5  4  o 445.182 1.85831 1078.41      12.7435  1080.57      12.7351  423.93      175.069     22.2399     175.069     
1 1 1 4  5  5  o 204.64  1.83582 215.6        5.77285  240.941      5.7846   189.289     90.3751     19.1144     90.3751     
1 1 1 4  5  6  o 216.975 1.82808 250.672      6.10528  262.222      6.10834  202.509     190.865     21.0927     190.865     
1 1 1 4  5  7  o 106.761 1.85374 63.7776      3.04745  60.4401      3.04356  37.554      179.614     87.9558     359.614     
1 1 1 4  5  8  o 320.162 1.90699 577.602      9.73769  539.27       9.0685   294.495     220.564     3.25754     220.564     
1 1 1 4  5  9  o 475.679 1.94207 1241.53      14.7003  1223.11      13.7411  401.856     92.3689     78.7531     272.369     
1 1 1 4  5  10 o 244.023 2.00228 315.344      8.02756  333.371      6.94706  190.569     5.31815     59.2117     185.318     
1 1 1 4  5  11 o 400.59  1.99349 895.86       12.3123  852.206      12.2771  386.191     161.172     34.0376     161.172     
1 1 1 4  5  12 o 386.122 1.92726 811.497      11.8267  812.269      11.0792  343.962     1.24699     23.6829     181.247     
1 1 1 4  5  13 o 279.017 2.02428 439.75       8.02144  408.43       9.27314  219.895     235.539     68.6651     55.5394     
1 1 1 4  5  14 o 160.462 1.87221 133.455      4.61511  147.133      4.6296   149.051     84.8286     30.3268     84.8286     
1 1 1 4  5  15 o 376.784 2.16221 790.943      12.5553  755.521      12.5309  368.792     238.73      45.2836     238.73      
1 1 1 4  5  16 o 251.629 2.15333 361.416      8.34579  328.618      8.32835  148.414     181.429     160.792     1.42945     
1 1 1 4  5  17 f 619.629 1.9337  2128.77      18.4677  2053.23      18.4297  524.738     204.224     0           0           
1 1 1 4  5  18 o 108.587 2.30044 59.2609      3.81535  69.4985      3.85366  55.6285     102.944     1.2624      102.944     
1 1 1 4  5  19 o 166.256 2.34138 155.5        5.70886  145.688      6.24547  155.038     293.747     49.0297     293.747     
1 1 1 4  5  20 o 155.073 2.25744 131.508      4.90707  130.461      5.83076  121.368     323.347     0.564012    323.346     
1 1 1 4  5  21 o 191.366 2.11326 207.085      5.98771  192.004      6.43546  143.842     323.88      42.9423     143.88      
1 1 1 4  5  22 o 294.359 2.03356 470.731      8.55342  473.242      9.84038  355.255     5.47654     187.495     5.47654     
1 1 1 4  5  23 o 212.751 2.11025 246.307      6.6408   246.874      7.17632  219.01      312.645     63.5524     312.645     
1 1 1 4  5  24 o 314.85  2.02003 531.297      9.78511  548.943      9.80074  313.698     269.838     54.7621     269.838     
1 1 1 4  5  25 o 246.967 2.11453 332.696      7.71681  332.039      8.35311  219.824     184.067     6.98741     4.06676     
1 1 1 4  5  26 o 72.4389 2.38654 30.3023      2.57242  27.0806      2.71999  42.6221     54.5888     2.92586     54.5887     
1 1 1 4  5  27 o 59.7792 2.36716 19.2228      2.06902  19.8697      2.26979  26.4118     209.174     21.2148     29.1739     
1 1 1 4  5  28 o 132.255 2.09527 96.1872      4.26724  94.516       4.26691  77.8082     152.855     77.844      332.855     
1 1 1 4  5  29 o 111.298 2.08282 64.7419      3.69064  70.4397      3.42333  100.673     178.337     14.6426     178.337     
1 1 1 4  5  30 o 58.6577 2.4922  17.6304      2.26383  20.0903      2.20556  25.997      178.945     13.9245     358.945     
1 1 1 4  5  31 o 298.084 2.0559  493.768      10.0915  475.337      8.75779  272.728     295.775     5.65093     295.775     
1 1 1 4  5  32 o 196.351 2.00388 207.845      6.2369   212.631      5.87052  139.099     91.4179     75.1989     271.418     
1 1 1 4  5  33 o 289.304 1.98996 459.68       8.56499  453.17       9.15112  270.591     34.3086     18.4816     34.3087     
1 1 1 4  5  34 o 44.5902 2.89368 9.59555      1.95541  12.408       1.94372  14.7899     299.483     26.9192     119.483     
1 1 1 4  5  35 o 46.0435 3.00821 10.3073      2.13823  13.1663      2.0353   19.3197     117.829     21.1553     297.829     
1 1 1 4  5  36 o 124.397 2.1799  80.0082      4.14491  89.1255      4.19632  114.526     290.47      10.399      290.47      
1 1 1 4  5  37 o 34.5333 4.07467 7.57508      2.07333  5.94502      2.08794  6.90364     347.968     0.593388    167.968     
1 1 1 4  5  38 o 72.8226 2.33627 28.5617      2.62084  29.5655      2.60431  61.232      281.149     0.356708    101.15      
1 1 1 4  5  39 o 52.5886 3.07575 14.3992      2.5469   16.2296      2.36637  35.0945     1.83939     13.0875     181.839     
1 1 1 4  5  40 o 76.0649 2.48757 36.4247      2.90961  27.4919      2.86354  81.4168     11.3251     36.1667     11.3251     
1 1 1 4  5  41 o 16.5229 4.31622 0.380055     1.48847  1.85691      1.51797  7.36039     305.404     25.5182     305.404     
1 1 1 4  5  42 o 30.3907 3.88409 5.72892      1.74246  4.90501      1.75442  18.6262     223.23      2.86125     223.23      
1 1 1 4  5  43 o 24.0383 4.33562 3.39314      1.60637  3.39809      1.61315  8.06707     172.124     19.1802     352.124     
1 1 1 4  5  44 o 68.1337 2.4644  25.2449      2.66727  26.1988      2.47847  73.5923     208.427     30.1211     208.427     
1 1 1 4  5  45 o 51.6415 3.1465  14.2157      2.47699  15.8702      2.47138  51.5331     37.1208     16.2187     37.1208     
1 1 1 4  5  46 o 49.3142 2.90697 14.218       2.12351  13.1653      2.24115  43.5115     94.8007     3.68116     94.8007     
1 1 1 4  5  47 o 13.3196 4.09393 -0.359499    1.48622  0.172768     1.64438  1.43084     41.8952     15.6107     41.8952     
1 1 1 4  5  48 o 24.7512 4.81088 4.19837      1.9354   3.34765      1.8564   8.7611      1.58223     22.5773     181.582     
1 1 1 4  5  49 o 26.3029 4.31322 5.80537      1.76297  2.77671      1.75552  12.8227     327.684     16.8303     147.684     
1 1 1 4  5  50 o 55.7167 2.71314 17.2464      2.307    18.0414      2.31946  57.3391     38.8024     20.4056     38.8024     
1 1 1 4  5  51 o 49.545  2.93903 14.9934      2.23076  13.2384      2.20629  42.4342     97.3927     1.39365     97.3927     
1 1 1 4  5  52 o 30.3788 4.37657 5.85549      1.93076  5.74038      2.02408  23.2536     67.1823     1.50298     247.182     
1 1 1 4  5  53 o 72.9754 2.63799 30.4534      2.93965  30.8127      2.96954  74.6572     359.104     24.9845     359.104     
1 1 1 4  5  54 o 20.2585 5.08389 3.33996      1.95342  1.99002      2.12451  8.00977     34.5696     15.0746     214.57      
1 1 1 4  5  55 o 16.1785 4.74465 0.341399     1.96389  1.80691      1.98331  8.24834     310.814     0.183159    310.814     
1 1 1 4  5  56 o 25.0871 5.18422 5.00769      2.14476  4.21773      2.12497  18.7038     190.937     0.654376    10.937      
1 1 1 4  5  57 o 31.9134 4.42022 6.50246      2.08934  7.4401       2.09812  36.5417     285.177     23.8044     285.177     
1 1 1 4  5  58 o 26.4719 5.0484  9.33358      2.68794  1.9624       2.11057  25.1994     142.9       9.86182     142.9       
1 1 1 4  5  59 o 14.8887 4.56553 1.5821       1.98978  0.0839099    1.94003  7.25905     243.401     1.46337     63.4005     
1 1 1 4  5  60 o 13.9175 4.44091 0.0386881    2.1391   0.59985      1.92051  3.34261     185.682     0.14078     185.682     
1 1 1 4  5  61 o 17.3369 5.16764 2.39371      2.36472  1.91102      2.35362  7.1495      137.35      4.51204     317.35      
1 1 1 4  5  62 o 19.2868 5.21893 2.76452      2.10597  3.67468      2.23398  10.7784     251.352     0.613991    251.352     
1 1 1 4  5  63 o 19.1811 5.11727 0.724119     2.32194  5.6757       2.377    11.1014     205.796     5.22732     25.7963     
1 1 1 4  6  0  o 9.05694 3.58084 0.601016     0.747456 0.601016     0.747456 35.8235     360         72.291      360         
1 1 1 4  6  1  o 170.203 1.83016 158.337      4.79581  157.227      4.79762  157.138     199.784     29.4497     199.784     
1 1 1 4  6  2  o 121.356 1.84406 85.0916      3.44562  75.4777      3.43772  77.851      167.548     27.0562     347.548     
1 1 1 4  6  3  o 235.723 1.8269  290.08       6.62169  315.452      6.63287  242.228     61.9474     67.0589     61.9474     
1 1 1 4  6  4  o 393.435 1.85035 840.302      11.2141  845.814      11.2064  475.527     322.289     231.415     322.289     
1 1 1 4  6  5  o 371.692 1.84881 761.175      10.5855  743.733      10.5775  340.389     44.3902     2.85554     224.39      
1 1 1 4  6  6  o 291.145 1.83971 466.88       8.25108  456.428      8.24422  239.109     20.6895     52.1176     200.689     
1 1 1 4  6  7  o 327.823 1.84227 587.04       9.30161  583.486      9.29831  257.937     198.561     85.162      18.5615     
1 1 1 4  6  8  f 249.309 1.83264 347.794      7.03723  329.289      7.03031  205.769     163.273     0           0           
1 1 1 4  6  9  o 285.038 1.91116 451.276      8.09853  433.699      8.65584  323.433     140.468     135.708     140.468     
1 1 1 4  6  10 o 604.846 1.98147 1969.13      17.8067  2015.48      19.0946  590.525     300.602     58.5773     300.602     
1 1 1 4  6  11 o 413.823 1.86895 900.111      11.8907  965.526      11.9187  407.595     354.477     53.3593     354.477     
1 1 1 4  6  12 f 575.496 1.90954 1796.16      16.9217  1810.9       16.9229  478.877     286.587     0           0           
1 1 1 4  6  13 o 572.054 2.04451 1817.08      18.0282  1747.42      17.9876  551.393     95.9778     43.3848     95.9777     
1 1 1 4  6  14 o 140.557 2.11395 109.166      4.76218  106.025      4.38584  61.8651     55.9176     118.612     235.918     
1 1 1 4  6  15 o 374.181 2.2733  756.711      13.6776  768.362      12.4828  378.471     18.3849     72.2891     18.3849     
1 1 1 4  6  16 o 479.319 2.02504 1250.04      14.9474  1252.29      14.9461  444.957     86.5574     7.67541     86.5574     
1 1 1 4  6  17 o 230.481 2.01755 294.826      7.16631  283.824      7.15318  205.249     355.96      3.95486     355.96      
1 1 1 4  6  18 o 377.47  2.18011 795.981      12.688   756.324      12.6511  338.746     250.322     9.61977     70.3222     
1 1 1 4  6  19 o 86.9376 2.1385  36.602       2.7541   46.104       2.95376  28.1152     118.659     178.74      118.659     
1 1 1 4  6  20 o 161.143 2.04239 138.73       5.06414  144.167      5.07064  116.968     60.9706     33.1542     240.971     
1 1 1 4  6  21 o 374.796 2.01778 753.327      11.6365  777.092      11.6526  361.462     198.929     41.5846     198.929     
1 1 1 4  6  22 o 128.048 1.94563 88.2921      3.83064  90.3447      3.84186  75.4367     308.489     62.6945     128.489     
1 1 1 4  6  23 o 158.481 2.06124 136.902      5.01921  136.776      5.04137  69.0449     65.7948     143.219     245.795     
1 1 1 4  6  24 o 104.872 2.32618 58.7885      3.41814  61.2235      4.06915  95.5584     304.569     45.0371     304.569     
1 1 1 4  6  25 f 229.931 2.05066 293.493      6.73991  282.772      7.72751  254.216     228.882     0           0           
1 1 1 4  6  26 o 102.852 2.35206 56.3382      3.40789  59.1464      4.02043  94.8585     356.888     22.6774     356.888     
1 1 1 4  6  27 o 124.804 2.11631 83.2159      3.75712  86.6718      4.36196  82.5513     307.739     53.0841     127.739     
1 1 1 4  6  28 o 70.5755 2.25059 24.6873      2.32905  29.8666      2.54948  45.5909     309.624     4.72984     129.624     
1 1 1 4  6  29 o 119.359 2.1372  75.8042      3.91544  79.6358      3.9362   108.569     304.888     14.6593     304.888     
1 1 1 4  6  30 o 30.3148 3.59781 4.84004      1.68434  5.49108      1.54158  19.077      293.2       62.2177     293.2       
1 1 1 4  6  31 o 18.3945 4.23284 1.30946      1.38897  2.22021      1.39889  23.261      6.52698     54.9246     6.52698     
1 1 1 4  6  32 o 269.107 1.98895 387.905      7.95693  401.977      8.52561  277.504     226.603     70.0511     226.603     
1 1 1 4  6  33 o 180.715 2.02964 178.091      5.84357  178.136      5.44552  192.614     287.404     64.0549     287.404     
1 1 1 4  6  34 o 96.3785 2.20972 49.4438      3.37875  52.0573      3.16045  106.867     295.808     57.1366     295.808     
1 1 1 4  6  35 o 75.6622 2.53545 30.2583      3.04537  32.4484      2.83133  32.1951     22.4646     64.7597     202.465     
1 1 1 4  6  36 o 150.619 2.30732 122.033      5.35116  125.835      5.35093  133.924     322.133     0.489689    322.133     
1 1 1 4  6  37 o 41.5367 3.36287 8.70386      2.10341  10.527       2.10222  23.8621     239.37      10.1828     59.37       
1 1 1 4  6  38 o 50.1542 3.00232 11.7714      2.27138  16.2136      2.27172  7.16717     92.1075     68.8996     272.108     
1 1 1 4  6  39 o 69.0758 2.79944 27.5026      2.96879  25.0969      2.95728  72.1989     44.8706     33.3675     44.8706     
1 1 1 4  6  40 o 28.3302 3.9726  5.48094      1.68581  3.79355      1.65511  7.11995     224.587     16.9272     44.5869     
1 1 1 4  6  41 o 22.7063 4.34858 3.73405      1.59576  2.23258      1.5746   2.54611     88.2729     16.4469     268.273     
1 1 1 4  6  42 f 28.6196 4.24623 4.13546      1.8725   5.43256      1.75021  6.03345     137.684     0           0           
1 1 1 4  6  43 o 69.1345 2.47961 24.7656      2.6159   28.2058      2.63903  69.4628     289.715     19.6994     289.715     
1 1 1 4  6  44 o 24.3887 4.44526 4.03081      1.62028  3.01236      1.76957  14.5642     10.417      0.588316    10.417      
1 1 1 4  6  45 o 26.846  4.3777  5.44174      1.79537  3.22103      1.79374  19.3408     286.636     1.58401     286.636     
1 1 1 4  6  46 o 22.2135 4.91404 2.92655      1.70084  2.90118      2.04458  11.1969     12.9949     6.9127      192.995     
1 1 1 4  6  47 f 26.3816 4.28942 4.72746      1.70733  3.67014      1.71458  22.4529     109.681     0           0           
1 1 1 4  6  48 o 32.1294 4.19074 6.12681      1.99177  6.25861      2.00228  34.4215     108.119     18.7611     108.119     
1 1 1 4  6  49 o 25.4819 4.65093 4.0133       1.92704  4.08844      1.75079  21.8153     0.936471    9.20994     0.936471    
1 1 1 4  6  50 o 15.7747 4.49137 0.808069     1.59559  1.09304      1.75295  3.21029     171.78      11.3963     351.78      
1 1 1 4  6  51 f 35.2541 3.96441 7.67218      1.95988  7.36485      2.18598  37.2484     270.452     0           0           
1 1 1 4  6  52 o 31.5424 4.34973 4.69885      2.03052  7.9975       2.02515  18.2893     265.923     14.6812     85.9231     
1 1 1 4  6  53 o 20.0675 5.01715 3.32241      1.90264  1.67366      2.1158   13.1435     318.947     3.10469     318.947     
1 1 1 4  6  54 o 14.4774 4.46449 -0.0261097   1.87248  0.68002      1.88873  5.31294     127.108     0.27631     307.108     
1 1 1 4  6  55 o 29.1808 5.58141 5.74423      2.74611  6.87317      2.44631  26.4663     267.082     7.88424     267.082     
1 1 1 4  6  56 o 14.9157 4.48306 -1.16637     1.87157  2.02824      1.97266  5.87788     197.57      5.80579     17.5697     
1 1 1 4  6  57 o 18.842  5.08681 3.00835      2.1897   2.05398      1.92041  11.1576     210.911     5.97713     30.9105     
1 1 1 4  6  58 o 14.5242 4.56623 0.688529     2.03721  0.326304     2.0673   6.30794     198.811     0.392103    198.811     
1 1 1 4  6  59 o 26.9539 5.13899 5.08938      2.19944  6.33955      2.19204  17.0284     93.169      8.67322     273.169     
1 1 1 4  6  60 o 12.9961 4.24424 -0.420849    2.05781  -0.043429    1.92583  2.76924     104.607     2.07115     284.607     
1 1 1 4  6  61 o 19.1901 5.41782 1.65723      2.38017  4.49067      2.59398  8.94858     47.0894     1.59182     227.089     
1 1 1 4  6  62 o 35.1991 5.1489  9.165        2.45115  11.1379      2.94767  36.036      171.921     18.4033     171.921     
1 1 1 4  6  63 o 13.9545 4.50736 0.288658     2.05872  1.05596      2.25268  6.51081     235.84      0.601902    55.8395     
1 1 1 4  7  0  o 112.172 1.85974 68.6276      3.2084   68.6276      3.2084   80.0918     180         7.05635     1.53438e-05 
1 1 1 4  7  1  o 145.948 1.83516 112.214      4.11933  119.854      4.12637  131.031     57.1648     46.393      57.1648     
1 1 1 4  7  2  o 513.79  1.93912 1467.12      14.8249  1408.5       15.8178  528.736     9.23851     107.818     9.23851     
1 1 1 4  7  3  o 138.156 1.84064 109.988      3.91588  98.0732      3.90673  44.6927     169.222     145.843     349.222     
1 1 1 4  7  4  o 250.385 1.83115 341.147      7.06174  341.673      7.0588   210.16      227.368     29.8028     47.3679     
1 1 1 4  7  5  o 309.009 1.83532 531.453      8.73753  508.652      8.72596  329.645     152.308     100.387     152.308     
1 1 1 4  7  6  o 329.82  1.83781 589.843      9.33155  594.919      9.33632  332.024     327.52      63.6072     327.52      
1 1 1 4  7  7  o 304.937 1.90805 509.249      8.648    503.499      9.25718  278.998     111.915     3.5611      111.915     
1 1 1 4  7  8  o 170.665 1.90498 147.14       4.82917  170.509      5.18303  125.571     258.429     43.5506     78.429      
1 1 1 4  7  9  o 556.117 1.89309 1682.93      16.2126  1685.28      16.2107  539.322     358.111     50.0209     358.111     
1 1 1 4  7  10 f 214.704 1.84775 253.423      6.1114   248.633      6.10631  193.323     142.273     0           0           
1 1 1 4  7  11 o 164.029 1.93643 142.984      4.71375  150.09       5.06858  167.06      194.934     66.7165     194.934     
1 1 1 4  7  12 o 60.0929 2.21946 17.9651      2.04073  21.557       2.03916  3.6174      128.126     35.5555     128.127     
1 1 1 4  7  13 o 581.583 2.04958 1826.43      18.3547  1857.59      18.3554  566.829     242.057     59.504      242.057     
1 1 1 4  7  14 o 268.966 1.98577 406.696      8.22883  381.431      8.21452  297.039     35.4063     115.437     35.4063     
1 1 1 4  7  15 o 220.198 2.01044 259.994      6.81576  268.147      6.81708  166.715     264.536     56.7448     84.5359     
1 1 1 4  7  16 o 690.528 2.09374 2585.75      22.2609  2608.03      22.2657  700.382     232.679     128.303     232.679     
1 1 1 4  7  17 o 247.88  2.27282 347.214      9.09155  322.35       8.26147  150.044     123.745     142.738     303.745     
1 1 1 4  7  18 o 316.662 2.20229 549.165      11.6195  543.196      9.7899   246.991     220.649     76.2417     40.6493     
1 1 1 4  7  19 o 170.675 1.98144 167.467      5.40262  150.091      5.01495  165.672     65.3551     61.5479     65.3551     
1 1 1 4  7  20 o 317.513 2.01023 534.512      9.81772  563.982      9.83486  319.035     177.474     66.6589     177.474     
1 1 1 4  7  21 o 278.587 2.00848 423.093      8.61572  422.481      8.61674  254.957     135.791     8.5348      135.791     
1 1 1 4  7  22 o 129.778 2.03132 82.5564      4.13098  101.504      3.92815  89.7719     116.857     41.1643     296.857     
1 1 1 4  7  23 o 157.344 1.92234 138.072      4.66602  131.732      4.64783  147.309     83.2045     22.014      83.2045     
1 1 1 4  7  24 o 98.101  2.14843 51.6908      3.23706  53.3147      3.24569  24.8429     59.7945     117.515     239.795     
1 1 1 4  7  25 o 209.41  2.02837 244.214      6.54574  233.832      6.53394  202.459     48.8399     29.7632     48.8399     
1 1 1 4  7  26 o 200.562 1.97792 224.39       6.32345  214.14       5.8939   202.401     14.2797     46.7503     14.2797     
1 1 1 4  7  27 o 227.372 2.13198 282.342      7.1622   281.355      7.7542   162.569     75.7651     84.7516     255.765     
1 1 1 4  7  28 o 124.981 2.25291 82.8174      3.79142  87.6536      4.83831  85.2304     73.3314     46.6591     253.331     
1 1 1 4  7  29 o 80.6167 2.41978 34.8924      2.62151  36.1536      3.34037  67.1309     242.095     16.0565     242.095     
1 1 1 4  7  30 o 111.748 2.36751 63.338       3.71945  73.224       4.42381  89.2937     183.145     13.9679     3.14511     
1 1 1 4  7  31 o 88.1624 2.30242 41.3942      2.87503  43.5478      3.35756  24.0209     320.409     105.175     140.409     
1 1 1 4  7  32 o 226.369 1.93997 278.221      6.75649  280.62       6.7683   231.074     72.3083     56.8373     72.3083     
1 1 1 4  7  33 o 151.06  1.99335 127.239      4.64655  121.715      4.62585  151.188     59.4754     36.5926     59.4754     
1 1 1 4  7  34 o 118.803 2.14004 73.0641      4.02649  81.1443      3.77367  112.087     58.5972     18.0362     58.5972     
1 1 1 4  7  35 o 54.3153 2.99235 17.3522      2.48507  15.1697      2.47247  6.35271     63.2257     4.14556     63.2257     
1 1 1 4  7  36 o 97.213  2.31149 52.0107      3.4699   51.3931      3.44077  59.6397     2.19176     51.0405     182.192     
1 1 1 4  7  37 o 39.2201 3.4683  8.73552      2.04304  8.43895      2.05408  10.8528     299.747     37.1323     119.747     
1 1 1 4  7  38 o 67.2761 2.82912 24.9822      2.9274   24.8738      2.90793  34.6635     81.1628     44.6051     261.163     
1 1 1 4  7  39 o 120.883 2.14005 76.6248      4.10473  83.5027      3.83641  133.301     259.692     56.192      259.692     
1 1 1 4  7  40 o 54.1664 2.67772 14.9558      2.25387  17.5298      2.16451  39.5343     104.343     10.5254     284.343     
1 1 1 4  7  41 o 66.8636 2.3648  24.5792      2.42641  24.7066      2.42784  76.8285     17.0984     42.3629     17.0984     
1 1 1 4  7  42 o 108.191 2.10869 63.6631      3.50125  65.1043      3.51813  114.403     130.939     39.2906     130.939     
1 1 1 4  7  43 o 62.8421 2.59668 23.6109      2.49599  20.3084      2.49606  70.5232     135.143     34.5215     135.143     
1 1 1 4  7  44 o 28.7659 3.94987 4.84574      1.69482  4.8451       1.67828  20.6234     98.2953     1.43098     278.295     
1 1 1 4  7  45 o 65.1849 2.6422  24.3298      2.61589  23.1242      2.66325  62.1104     322.072     12.4539     322.072     
1 1 1 4  7  46 o 76.8226 2.69088 31.7041      3.16476  34.3618      3.17832  68.886      82.2474     4.95684     82.2473     
1 1 1 4  7  47 o 39.5809 3.62785 9.70181      2.28213  8.51187      2.03844  28.9018     33.6954     8.8301      213.695     
1 1 1 4  7  48 o 42.0604 3.31931 10.1062      2.01914  10.3482      2.2041   29.8734     50.8003     11.3675     230.8       
1 1 1 4  7  49 o 22.3282 4.86707 2.16169      1.86657  4.01258      1.91092  12.2971     21.7847     7.72376     201.785     
1 1 1 4  7  50 o 76.4023 2.50064 36.2967      3.06772  29.791       2.79908  71.4925     27.3083     12.2641     27.3083     
1 1 1 4  7  51 o 20.0716 4.85732 2.47083      1.81136  2.47565      1.80119  10.9469     56.8368     0.0589922   236.837     
1 1 1 4  7  52 o 23.5974 4.7744  5.72962      2.05128  1.48026      2.00895  18.5739     130.987     6.11387     130.987     
1 1 1 4  7  53 f 27.7977 4.98074 5.46505      2.24299  5.09554      2.02636  27.1145     75.4524     0           0           
1 1 1 4  7  54 o 21.8556 5.31623 3.05384      2.34848  3.66019      2.03316  15.7821     169.778     0.730156    349.778     
1 1 1 4  7  55 o 38.7228 4.13279 11.6105      2.37908  7.93572      2.32301  33          345.09      2.57317     345.09      
1 1 1 4  7  56 o 18.5293 4.98969 3.37292      2.17126  1.24032      1.85473  12.3407     146.806     4.95136     146.806     
1 1 1 4  7  57 o 19.0437 4.94832 1.91855      1.90901  3.2964       1.96229  14.5557     249.881     2.67206     249.881     
1 1 1 4  7  58 o 14.9501 4.51973 1.7474       1.89938  0.0435487    1.88242  4.30669     181.615     12.1334     1.61486     
1 1 1 4  7  59 o 22.1182 5.42665 3.84854      2.30804  4.50746      2.23093  18.7869     301.683     7.93603     301.683     
1 1 1 4  7  60 o 20.297  5.29124 2.20817      2.0214   4.84659      2.42322  12.9309     296.752     3.98186     296.752     
1 1 1 4  7  61 o 17.8012 5.05504 3.94309      2.27461  0.533976     2.27576  1.15709     333.989     0.156793    333.989     
1 1 1 4  7  62 o 14.918  4.69804 1.72629      2.08296  0.659837     2.34792  5.76488     275.696     2.36297     95.6957     
1 1 1 4  7  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  8  0  o 64.4129 2.08443 22.7334      2.05763  22.7334      2.05763  0.49376     7.86133e-05 7.07593     7.86132e-05 
1 1 1 4  8  1  o 150.643 1.83577 123.385      4.25804  123.767      4.25895  72.628      349.754     113.379     169.754     
1 1 1 4  8  2  o 23.4087 2.70392 3.36027      0.940919 2.77771      0.936152 36.1768     324.661     77.3791     324.661     
1 1 1 4  8  3  o 528.03  1.87737 1516.84      15.2704  1519.75      15.2597  523.61      310.409     73.0918     310.409     
1 1 1 4  8  4  o 255.773 1.89104 361.844      7.69818  350.687      7.19603  244.418     358.468     31.0953     358.468     
1 1 1 4  8  5  o 308.462 1.83782 500.435      8.71941  536.124      8.73245  273.779     72.4136     12.997      252.414     
1 1 1 4  8  6  f 243.249 1.83765 306.619      6.8692   338.179      6.88607  145.493     258.96      0           0           
1 1 1 4  8  7  o 430.715 1.85363 1022.63      12.3003  997.874      12.2871  423.941     28.1136     57.2053     28.1136     
1 1 1 4  8  8  o 150.309 1.84021 126.123      4.25966  119.97       4.25707  131.244     154.295     16.5185     154.295     
1 1 1 4  8  9  f 54.6689 2.08367 17.2062      1.74238  15.463       1.74861  25.3751     286.923     0           0           
1 1 1 4  8  10 o 186.257 1.85278 195.673      5.31605  182.273      5.30736  153.482     32.8104     18.4757     212.81      
1 1 1 4  8  11 o 141.156 1.99024 108.072      4.32451  108.939      4.32758  110.802     325.261     9.58313     145.261     
1 1 1 4  8  12 o 162.254 2.17198 148.508      5.39333  138.333      5.45285  114.204     117.875     48.6886     297.875     
1 1 1 4  8  13 o 251.099 1.93086 339.926      7.22628  346.806      7.70223  252.669     113.822     61.4286     113.822     
1 1 1 4  8  14 o 255.247 2.00456 350.67       7.87543  358.971      7.88176  191.215     340.069     73.6842     160.069     
1 1 1 4  8  15 o 162.29  2.05507 145.794      5.13401  141.107      5.13648  107.677     186.065     55.2981     6.06455     
1 1 1 4  8  16 o 150.125 2.23337 115.079      5.15257  130.679      5.15815  122.352     142.663     56.526      142.663     
1 1 1 4  8  17 o 297.719 2.00301 478.6        9.18096  486.934      9.18435  247.748     21.888      37.2435     201.888     
1 1 1 4  8  18 o 138.297 1.93052 102.948      4.10762  105.406      4.11459  57.8069     352.659     114.183     172.659     
1 1 1 4  8  19 o 155.952 1.92439 126.888      4.61189  138.186      4.62516  140.372     179.337     25.9111     179.337     
1 1 1 4  8  20 o 121.851 2.07705 79.5491      3.91844  82.239       3.87456  102.052     353.289     58.1242     353.289     
1 1 1 4  8  21 o 185.266 2.10135 192.889      6.22567  181.224      5.76534  150.688     318.528     26.062      138.528     
1 1 1 4  8  22 o 78.5622 2.4777  30.5339      3.19144  37.0443      2.69651  20.8106     120.515     80.7732     300.515     
1 1 1 4  8  23 o 126.046 2.01531 87.7393      4.05179  85.4222      3.76966  131.821     123.781     57.9706     123.781     
1 1 1 4  8  24 o 95.6317 2.15314 51.477       3.17695  48.346       3.15479  53.4946     187.513     53.3219     7.51257     
1 1 1 4  8  25 o 71.2503 2.27692 28.846       2.49927  26.6446      2.48181  31.3008     243.4       48.0373     63.3999     
1 1 1 4  8  26 o 115.62  1.97602 72.5807      3.51249  73.1521      3.52383  104.114     276.233     13.4649     276.233     
1 1 1 4  8  27 o 170.042 2.10446 155.578      5.90772  159.73       5.06924  167.252     241.089     35.6372     241.089     
1 1 1 4  8  28 o 185.526 2.06831 189.559      5.91661  185.803      5.90096  184.534     344.788     40.8223     344.788     
1 1 1 4  8  29 o 47.6512 2.57173 11.4412      1.861    13.5318      1.87486  13.6522     277.1       22.3394     97.0996     
1 1 1 4  8  30 o 41.0396 3.02861 9.94758      1.7681   8.67884      1.97196  1.31229     326.589     51.1525     146.589     
1 1 1 4  8  31 o 144.242 2.23217 113.061      4.74835  113.953      5.1606   113.246     317.458     28.4329     137.458     
1 1 1 4  8  32 o 80.7131 2.38567 34.0139      2.73793  37.2628      3.1782   62.8467     45.3849     7.51458     225.385     
1 1 1 4  8  33 o 21.3183 4.57097 2.96558      1.59835  2.00782      1.70554  22.7751     52.8664     61.4825     52.8664     
1 1 1 4  8  34 o 111.65  2.39866 73.1994      4.12493  63.2786      4.09869  86.0733     99.6568     22.5903     279.657     
1 1 1 4  8  35 o 106.777 2.55222 62.8018      3.98488  62.0248      4.38351  128.932     202.417     75.9333     202.417     
1 1 1 4  8  36 o 49.3484 2.92228 11.1842      2.0847   15.9037      2.29289  21.2072     78.5344     37.066      258.534     
1 1 1 4  8  37 o 225.73  2.27366 279.954      7.90219  277.616      7.90415  228.547     75.954      56.4787     75.954      
1 1 1 4  8  38 o 205.542 2.11347 228.65       6.6892   233.749      6.68896  210.523     15.2636     57.3472     15.2636     
1 1 1 4  8  39 o 72.9027 2.31252 30.5675      2.58784  27.8715      2.58683  75.3068     275.238     28.916      275.238     
1 1 1 4  8  40 o 16.7481 4.31027 0.631693     1.50518  1.8344       1.45384  7.38748     169.193     29.2513     169.193     
1 1 1 4  8  41 o 13.4512 4.02564 0.610296     1.4973   -0.514484    1.43002  7.04723     69.6851     24.7695     69.6851     
1 1 1 4  8  42 o 72.0616 2.54478 28.3425      3.01745  29.2025      2.58685  70.0419     327.381     15.8589     327.381     
1 1 1 4  8  43 o 13.3275 4.06934 0.0795446    1.60383  -0.178398    1.44364  3.79142     250.147     18.4586     250.147     
1 1 1 4  8  44 o 27.2179 4.41693 4.46004      1.82757  4.39617      1.79636  16.519      33.9314     7.67077     213.931     
1 1 1 4  8  45 o 77.6576 2.59965 32.9689      3.17972  34.3284      3.01292  68.4081     81.8952     2.75689     81.8952     
1 1 1 4  8  46 o 49.8889 3.19801 14.1616      2.29856  14.1754      2.55315  43.0918     68.819      1.62808     68.819      
1 1 1 4  8  47 o 44.5404 3.35532 10.7841      2.15505  12.0925      2.37853  38.222      170.8       1.11041     170.8       
1 1 1 4  8  48 o 109.543 2.30898 65.9008      3.88346  68.3238      3.89682  110.245     124.292     31.2449     124.292     
1 1 1 4  8  49 f 17.7773 4.64939 0.82855      1.65834  2.42934      1.79831  10.9886     232.209     0           0           
1 1 1 4  8  50 o 20.1947 4.96458 2.75821      1.90729  2.14063      1.88526  10.3795     95.6249     0.425425    95.6249     
1 1 1 4  8  51 o 11.4859 3.82217 -2.45767     1.86531  -0.814534    1.67809  0.33059     15.2234     5.15841     15.2233     
1 1 1 4  8  52 o 37.525  4.11808 6.94146      2.27749  10.8722      2.20738  31.0052     153.656     0.567271    153.656     
1 1 1 4  8  53 o 25.0187 5.44149 4.84348      2.40262  4.21173      2.19879  18.8514     62.2637     0.806832    242.264     
1 1 1 4  8  54 o 41.56   4.05555 10.1802      2.38984  11.9325      2.66539  41.8444     100.924     15.6164     100.924     
1 1 1 4  8  55 o 13.2544 4.14713 1.16431      1.78461  -1.74451     1.76093  3.25228     60.3932     6.68967     240.393     
1 1 1 4  8  56 o 15.751  4.5782  0.33102      1.83278  2.03734      1.83861  9.01774     167.96      2.80412     347.96      
1 1 1 4  8  57 o 20.5811 4.99524 4.53077      1.99023  1.6152       2.18988  17.2774     318.332     7.72109     318.332     
1 1 1 4  8  58 o 23.3019 5.10889 3.35429      2.05317  5.27563      2.08981  21.2388     231.144     11.5486     231.144     
1 1 1 4  8  59 o 15.0091 4.63322 0.609989     2.01609  1.37523      2.04247  4.67951     31.3742     10.8907     211.374     
1 1 1 4  8  60 o 18.9902 4.75951 4.80739      2.03212  -0.058683    2.15428  7.59082     223.792     1.82028     223.792     
1 1 1 4  8  61 o 46.0563 3.85911 14.6003      2.78866  14.6383      2.56572  47.8895     34.2525     22.3873     34.2525     
1 1 1 4  8  62 o 19.5649 5.23807 5.55586      2.38217  1.48403      2.40397  14.4387     157.747     5.69804     157.747     
1 1 1 4  9  0  o 58.6021 2.12513 18.8465      1.90616  18.8465      1.90616  6.96011     360         42.6154     360         
1 1 1 4  9  1  o 567.752 1.88904 1742.34      16.5316  1768.31      16.4983  551.11      256.29      56.6898     256.29      
1 1 1 4  9  2  o 98.6831 1.87761 54.2499      2.85282  51.8994      2.84752  48.0943     106.043     35.9244     286.043     
1 1 1 4  9  3  o 55.7779 2.0568  21.5174      1.72869  12.9977      1.71068  36.9477     205.992     132.965     205.992     
1 1 1 4  9  4  o 347.952 1.90024 668.976      10.5252  649.671      9.83475  304.676     279.627     24.8509     99.6275     
1 1 1 4  9  5  o 238.365 1.82965 324.002      6.71845  295.132      6.70301  215.377     313.244     5.91129     313.244     
1 1 1 4  9  6  o 373.289 1.82896 746.281      10.5104  771.414      10.5141  321.528     346.052     38.9067     166.052     
1 1 1 4  9  7  o 258.534 1.93811 348.299      7.70149  380.015      7.72009  216.474     205.023     32.1203     25.0229     
1 1 1 4  9  8  o 205.686 1.92658 228.073      6.10124  232.711      6.10256  235.918     174.848     123.063     174.848     
1 1 1 4  9  9  o 213.612 2.05856 244.748      7.03696  252.27       6.48506  149.548     162.565     79.938      342.565     
1 1 1 4  9  10 f 128.923 2.18006 93.019       4.33524  88.0542      4.31875  132.751     68.0457     0           0           
1 1 1 4  9  11 f 292.587 1.97598 456.808      8.89724  475.696      8.90581  311.887     147.561     0           0           
1 1 1 4  9  12 o 152.851 1.90837 134.926      4.49267  119.767      4.47975  139.915     116.537     64.5467     116.537     
1 1 1 4  9  13 o 27.8013 3.79538 4.10995      1.43747  4.60867      1.69527  25.7696     211.023     55.8757     211.023     
1 1 1 4  9  14 o 271.869 2.17153 410.847      9.09381  394.379      9.08565  241.448     58.5693     2.20847     58.5694     
1 1 1 4  9  15 o 517.308 2.1279  1488.6       16.2863  1426.89      17.5586  511.586     110.807     81.5351     110.807     
1 1 1 4  9  16 o 333.107 2.00499 613.604      10.2936  595.205      10.274   317.344     223.59      37.0978     223.59      
1 1 1 4  9  17 f 249.768 1.94802 336.24       7.23828  343.378      7.74262  184.946     112.283     0           0           
1 1 1 4  9  18 o 203.008 1.89621 221.095      5.9225   227.906      5.93212  163.631     215.848     28.9768     35.8481     
1 1 1 4  9  19 o 94.555  1.99077 48.21        2.89388  49.2926      2.89671  0.635748    68.4202     157.702     68.4204     
1 1 1 4  9  20 o 142.679 1.98487 111.454      4.22948  110.371      4.48728  128.847     196.069     16.1547     196.069     
1 1 1 4  9  21 o 331.538 2.08971 606.516      11.0808  591.472      10.2494  304.673     223.466     9.06318     223.466     
1 1 1 4  9  22 o 332.836 2.01274 605.892      10.3149  601.501      10.3168  314.05      297.263     25.5498     297.263     
1 1 1 4  9  23 o 26.0744 3.53138 3.17633      1.36327  4.54533      1.36117  30.9763     298.243     79.5944     298.243     
1 1 1 4  9  24 o 228.614 1.95682 294.165      7.12731  275.682      6.65208  224.076     347.323     39.0557     347.323     
1 1 1 4  9  25 o 45.4714 2.66968 11.0231      1.84584  11.6994      1.85812  2.71972     99.946      56.1786     99.946      
1 1 1 4  9  26 f 60.1322 2.51769 19.5488      2.26138  20.0447      2.38002  96.8996     222.862     0           0           
1 1 1 4  9  27 o 155.581 2.01065 133.522      4.98752  130.429      4.644    150.216     51.0801     28.9771     51.0801     
1 1 1 4  9  28 o 60.7524 2.55271 19.643       2.54198  20.7931      2.18632  36.6902     298.131     4.18505     118.131     
1 1 1 4  9  29 o 115.985 2.15964 71.9729      3.85153  74.8948      3.8551   96.9751     291.547     6.93903     111.547     
1 1 1 4  9  30 o 110.623 2.05657 68.5765      3.50043  65.0221      3.49832  99.9826     290.376     9.85723     290.376     
1 1 1 4  9  31 o 107.508 2.23508 66.0185      3.70476  60.2839      3.68272  100.966     237.651     18.6907     237.651     
1 1 1 4  9  32 o 84.9371 2.37917 38.1603      3.10221  40.7585      3.10663  75.6656     54.3985     12.1123     54.3985     
1 1 1 4  9  33 o 67.8723 2.73879 27.1432      2.85018  23.4527      2.83963  59.9984     52.1286     14.1616     52.1286     
1 1 1 4  9  34 o 26.1799 4.56366 5.34054      1.88913  2.54361      1.87504  0.283567    23.4768     13.6655     23.4768     
1 1 1 4  9  35 o 209.526 2.03118 231.916      6.30434  247.757      6.80436  207.647     68.4228     43.5751     68.4228     
1 1 1 4  9  36 o 22.6644 5.03438 3.34779      1.90742  2.25114      2.06132  11.1999     7.32448     44.7567     7.32448     
1 1 1 4  9  37 o 126.715 2.51999 87.4702      4.67693  88.7304      5.13955  108.949     293.031     3.59011     113.032     
1 1 1 4  9  38 o 69.7528 2.42416 24.5244      2.50414  29.0806      2.68552  48.0568     112.565     22.2601     292.565     
1 1 1 4  9  39 o 75.5025 2.433   30.6183      2.6307   32.1696      3.00693  68.2172     293.092     7.68478     293.092     
1 1 1 4  9  40 o 107.89  2.19054 68.0911      3.50716  60.0393      3.73437  117.831     117.239     48.0999     117.239     
1 1 1 4  9  41 o 50.6286 2.78098 15.5729      2.08076  13.039       2.1937   43.9127     65.0325     2.70198     65.0325     
1 1 1 4  9  42 o 105.037 2.31563 63.3772      3.46464  58.5568      3.97293  111.353     32.176      40.0885     32.176      
1 1 1 4  9  43 o 81.2564 2.44875 36.0821      2.84279  37.2057      3.2617   80.5511     136.069     20.9933     136.069     
1 1 1 4  9  44 o 54.4314 2.80163 15.0485      2.31156  18.2716      2.33658  39.4624     242.957     13.7059     62.9575     
1 1 1 4  9  45 o 45.354  2.94193 11.1011      2.03205  12.1707      2.02721  41.3515     213.023     7.06261     213.023     
1 1 1 4  9  46 o 33.5945 4.20142 7.40102      2.18114  6.09953      2.00746  35.5408     22.7956     18.4776     22.7956     
1 1 1 4  9  47 f 23.4488 4.59871 4.98417      1.85088  1.72767      1.84028  13.7172     349.361     0           0           
1 1 1 4  9  48 o 14.8432 4.45722 -0.106129    1.94993  0.728775     1.64446  2.41261     150.395     8.98854     330.395     
1 1 1 4  9  49 o 35.1474 3.97863 8.6366       2.11586  6.35548      2.02231  25.2472     232.296     6.53491     52.2963     
1 1 1 4  9  50 o 40.1969 4.36339 14.0133      2.66788  6.58182      2.38587  38.7388     321.413     12.6686     321.413     
1 1 1 4  9  51 o 16.562  4.84614 0.481616     2.00871  1.57568      2.05863  5.80873     234.963     7.51915     54.9634     
1 1 1 4  9  52 o 17.3356 4.85997 1.36861      1.93117  1.80926      1.93706  4.60333     255.156     15.9019     75.1565     
1 1 1 4  9  53 o 31.4342 5.05724 5.37095      2.39204  8.48279      2.44607  25.831      145.119     1.20485     145.119     
1 1 1 4  9  54 o 15.7422 4.5748  0.568725     1.77825  1.66781      1.82295  5.13926     60.4333     0.0443832   240.433     
1 1 1 4  9  55 o 20.6322 5.16027 2.87421      1.9478   3.37721      2.14675  16.2        8.86234     5.19771     8.86234     
1 1 1 4  9  56 o 23.654  4.84083 5.78653      1.99084  2.52937      2.01251  17.2899     36.1051     2.13929     216.105     
1 1 1 4  9  57 o 18.2775 4.97632 3.05929      1.95772  1.68482      2.09714  12.363      274.848     0.950278    274.848     
1 1 1 4  9  58 o 15.401  4.6222  1.68344      1.93265  0.836107     1.90121  4.88238     125.167     1.37714     125.167     
1 1 1 4  9  59 o 13.6563 4.38261 0.133659     1.94293  0.366649     2.05447  3.21843     174.853     6.20901     354.853     
1 1 1 4  9  60 o 16.4666 4.88728 1.99155      2.04036  1.65482      2.15782  4.23109     265.373     2.08576     85.3731     
1 1 1 4  9  61 o 17.3529 4.9763  2.74097      2.08268  2.39385      2.06541  8.4515      307.404     4.89951     127.404     
1 1 1 4  9  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  10 0  o 397.892 1.84811 862.143      11.3225  862.143      11.3225  383.155     6.99196e-06 31.6367     6.99195e-06 
1 1 1 4  10 1  o 261.941 1.83079 380.951      7.3861   366.382      7.38124  260.867     116.308     55.1581     116.308     
1 1 1 4  10 2  o 110.687 1.89216 64.6086      3.22321  68.8588      3.22458  23.5652     25.6064     11.5102     25.6064     
1 1 1 4  10 3  o 463.363 1.85969 1191.73      13.2825  1146.86      13.2532  398.46      38.9471     50.5027     218.947     
1 1 1 4  10 4  o 316.843 1.90219 540.996      9.57881  552.402      8.96562  216.084     351.409     142.414     171.409     
1 1 1 4  10 5  o 49.932  2.24902 10.1599      1.66712  17.6236      1.67202  46.4579     268.3       138.472     268.3       
1 1 1 4  10 6  o 305.692 2.0628  514.99       10.056   502.86       9.35919  262.194     222.985     25.9914     42.9849     
1 1 1 4  10 7  o 169.338 2.18122 157.735      5.68964  154.612      5.68552  170.631     189.56      74.3863     189.56      
1 1 1 4  10 8  o 355.238 2.51488 672.226      14.4812  702.654      12.9514  416.521     148.464     197.496     148.464     
1 1 1 4  10 9  o 257.024 2.37378 344.233      9.38042  375.733      9.39711  300.556     184.506     159.258     184.506     
1 1 1 4  10 10 o 152.593 2.5976  122.054      6.42037  131.797      5.72753  132.479     180.73      39.3173     180.73      
1 1 1 4  10 11 o 73.8786 2.47843 31.6189      2.81277  28.0304      2.80296  15.7155     209.777     104.577     209.777     
1 1 1 4  10 12 o 324.469 2.33878 580.27       11.7943  566.697      11.5773  281.36      4.12285     17.0884     184.123     
1 1 1 4  10 13 o 177.353 2.1658  167.767      5.91138  174.924      5.91659  64.6647     43.244      176.45      223.244     
1 1 1 4  10 14 o 316.895 2.01553 543.93       9.814    550.038      9.8569   263.037     138.783     41.6916     318.783     
1 1 1 4  10 15 o 364.188 2.01346 716.564      11.2891  728.382      11.2937  395.46      217.622     137.484     217.622     
1 1 1 4  10 16 o 412.209 2.09629 914.646      13.7773  936.711      12.8045  433.735     214.239     122.439     214.239     
1 1 1 4  10 17 o 129.735 1.93954 95.0803      3.87863  88.3585      3.86742  84.3603     317.806     47.6043     137.806     
1 1 1 4  10 18 o 282.105 1.87572 439.338      8.15156  427.789      8.14407  335.043     273.293     167.62      273.293     
1 1 1 4  10 19 o 389.805 1.89095 824.689      11.3499  830.993      11.3511  416.709     185.499     128.337     185.499     
1 1 1 4  10 20 o 170.535 1.917   164.762      5.03463  152.283      5.02804  114.472     260.061     72.4818     80.061      
1 1 1 4  10 21 o 181.571 2.0324  171.404      5.66796  188.133      5.68892  175.741     353.792     31.6643     353.792     
1 1 1 4  10 22 o 161.173 2.04099 137.164      5.0553   146.069      5.07246  164.372     238.408     47.6909     238.408     
1 1 1 4  10 23 f 144.022 1.99335 114.678      4.56722  111.447      4.27301  198.611     35.3273     0           0           
1 1 1 4  10 24 o 128.653 2.02466 92.8051      4.14515  87.6873      3.87771  112.992     309.467     6.03859     309.467     
1 1 1 4  10 25 o 70.5921 2.32813 26.5494      2.52459  27.9366      2.52167  34.574      158.103     36.4195     338.103     
1 1 1 4  10 26 f 209.186 2.13366 238.788      7.15724  238.462      6.57686  117.881     145.34      0           0           
1 1 1 4  10 27 o 113.088 2.01395 72.279       3.51157  67.2786      3.49671  91.3144     212.342     10.9747     32.3423     
1 1 1 4  10 28 o 190.814 1.93534 207.28       5.69613  189.955      5.67015  146.767     340.611     46.1038     160.611     
1 1 1 4  10 29 f 165.658 2.0999  147.009      5.34898  152.373      5.36343  97.6765     153.408     0           0           
1 1 1 4  10 30 o 89.3787 2.40755 47.5226      3.4519   39.9758      3.1632   60.6433     93.7663     29.7948     273.766     
1 1 1 4  10 31 o 153.847 2.15142 137.988      5.49495  120.622      4.70396  156.511     92.6606     44.3143     92.6606     
1 1 1 4  10 32 o 23.1674 5.05661 4.58911      2.28223  1.18303      1.93105  8.12494     52.9398     28.2021     52.9398     
1 1 1 4  10 33 o 41.0062 4.17948 10.9725      2.52038  8.02398      2.5464   21.8638     235.977     4.4696      55.9773     
1 1 1 4  10 34 o 28.7312 4.01811 3.17925      1.71152  6.41522      1.70945  2.67029     89.3599     41.0293     89.3599     
1 1 1 4  10 35 o 121.667 2.41038 79.72        4.51169  82.4473      4.51031  82.2513     67.0055     48.3345     247.005     
1 1 1 4  10 36 o 66.574  2.846   25.8499      2.89621  23.0448      2.90353  49.2686     324.485     11.6933     144.485     
1 1 1 4  10 37 o 53.3106 2.63777 16.263       2.14712  15.1141      2.15369  27.2761     179.619     33.1872     359.619     
1 1 1 4  10 38 o 65.4788 2.46166 21.2835      2.37736  26.084       2.56497  65.6493     340.964     23.1462     340.964     
1 1 1 4  10 39 o 20.7894 4.44108 3.72882      1.53685  0.390795     2.01716  4.08739     322.992     35.3469     322.992     
1 1 1 4  10 40 o 64.6611 2.63382 22.6245      2.38098  23.7427      2.83082  53.1798     190.623     4.51859     10.6232     
1 1 1 4  10 41 o 24.736  4.31327 2.75623      1.60776  4.5154       1.69829  13.8847     148.246     5.02443     328.246     
1 1 1 4  10 42 o 71.727  2.41647 26.8784      2.57759  30.2407      2.7454   57.4454     282.627     8.47062     102.627     
1 1 1 4  10 43 o 67.9852 2.60682 28.094       2.52026  23.5575      2.85607  69.7882     344.298     23.8835     344.298     
1 1 1 4  10 44 o 48.5821 3.15272 14.9108      2.21446  11.9448      2.39421  53.1523     127.162     26.6235     127.162     
1 1 1 4  10 45 f 54.9467 2.98672 17.8769      2.76264  16.3362      2.24244  45.6478     42.3789     0           0           
1 1 1 4  10 46 o 10.9547 3.62605 -1.44825     1.61508  -1.18369     1.44192  0.230082    68.2613     5.57958     68.2613     
1 1 1 4  10 47 o 36.3223 3.86365 7.51222      2.08315  8.21152      2.10231  25.0518     27.5929     9.54504     207.593     
1 1 1 4  10 48 o 45.6654 3.21907 9.91423      2.09844  14.5014      2.33911  49.5872     141.202     24.9557     141.202     
1 1 1 4  10 49 f 21.0224 4.67946 4.54492      1.93775  0.472532     1.92456  26.2389     9.55057     0           0           
1 1 1 4  10 50 o 39.8134 4.19874 11.6852      2.63305  8.13556      2.33743  30.8257     26.7339     3.57238     206.734     
1 1 1 4  10 51 o 18.0358 4.96951 2.0479       1.93704  1.54232      2.05834  6.52771     329.917     12.2036     149.917     
1 1 1 4  10 52 o 23.8044 6.04063 4.07251      2.83607  4.49192      2.80113  20.8932     201.287     10.7391     201.287     
1 1 1 4  10 53 o 11.2767 3.77028 -1.13806     1.76626  -1.58653     1.68813  0.44742     2.10891     9.32685     182.109     
1 1 1 4  10 54 o 13.4506 4.23964 -0.0960706   1.76434  0.222033     1.79534  3.76912     322.562     4.53778     142.562     
1 1 1 4  10 55 o 18.9777 4.96865 2.25709      1.92144  2.85783      1.94346  13.5329     302.855     0.0465022   122.854     
1 1 1 4  10 56 o 20.7163 5.12293 3.62651      2.04391  3.01423      1.99253  9.26278     340.043     13.2295     160.043     
1 1 1 4  10 57 o 18.1656 5.00719 1.49811      2.18999  3.15932      1.99808  9.82972     168.299     4.73644     168.299     
1 1 1 4  10 58 o 17.3571 4.81047 0.703284     1.95942  3.37887      2.00822  10.0317     315.21      2.45412     135.21      
1 1 1 4  10 59 o 15.4953 4.69907 0.859819     2.07257  1.7051       1.9764   2.39082     37.4093     1.3617      217.409     
1 1 1 4  10 60 o 14.0777 4.45009 -0.7342      2.00172  1.72216      2.06563  0.637307    147.048     0.518508    327.048     
1 1 1 4  10 61 o 18.2329 5.1469  3.32322      2.18377  2.8469       2.18341  11.1276     312.265     2.07686     132.265     
1 1 1 4  11 0  o 306.588 1.83743 511.922      8.67335  511.922      8.67335  214.119     180         135.166     8.92243e-06 
1 1 1 4  11 1  o 487.457 1.87042 1308.13      14.046   1279.92      14.0327  515.577     65.7403     146.879     65.7403     
1 1 1 4  11 2  o 143.247 1.87    107.715      4.11887  115.849      4.1272   104.404     49.3373     15.4535     229.337     
1 1 1 4  11 3  o 282.197 1.83927 418.62       7.98545  448.988      7.99268  289.19      39.9461     80.9667     39.9461     
1 1 1 4  11 4  o 260.554 1.90159 371.053      7.8838   368.367      7.36858  227.675     184.997     4.02022     4.99659     
1 1 1 4  11 5  o 509.558 1.87477 1403.12      14.7136  1424.94      14.707   450.255     163.663     25.7984     343.663     
1 1 1 4  11 6  o 196.065 2.16629 202.441      6.53568  216.408      6.53981  172.984     89.0458     16.6795     89.0458     
1 1 1 4  11 7  o 279.461 2.5068  426.895      11.3717  423.942      10.1746  285.935     302.795     82.7129     302.795     
1 1 1 4  11 8  o 203.589 2.3892  234.885      7.49257  216.84       7.47946  187.335     211.565     34.5806     211.565     
1 1 1 4  11 9  o 770.26  2.39609 3241.77      27.1082  3221.95      29.6668  713.94      152.323     23.0313     152.323     
1 1 1 4  11 10 o 338.84  2.16653 626.599      11.305   624.147      11.3038  370.076     214.765     139.847     214.765     
1 1 1 4  11 11 o 169.225 2.55774 146.669      6.28729  165.664      7.04911  125.413     57.7584     29.9489     237.758     
1 1 1 4  11 12 o 97.6936 2.88679 49.1734      4.32234  55.1186      4.33389  4.66738     237.257     160.454     237.257     
1 1 1 4  11 13 o 294.157 2.1753  473.274      9.85329  469.495      9.85351  218.897     355.813     88.6887     175.813     
1 1 1 4  11 14 o 244.71  2.08033 341.502      7.59954  311.302      8.03975  180.928     172.591     73.1998     352.591     
1 1 1 4  11 15 o 156.91  2.11329 131.065      4.8762   137.247      5.33444  99.91       131.819     71.2974     311.819     
1 1 1 4  11 16 o 226.976 1.88404 270.147      6.57303  291.368      6.59066  267.719     52.573      138.997     52.573      
1 1 1 4  11 17 o 149.109 1.99177 123.219      4.42507  119.082      4.71125  78.797      281.695     102.725     101.695     
1 1 1 4  11 18 o 254.705 1.95166 357.901      7.89783  349.115      7.40907  230.003     113.514     4.56837     113.514     
1 1 1 4  11 19 o 178.969 1.91921 167.385      5.27904  181.836      5.29312  197.289     66.4172     83.8036     66.4172     
1 1 1 4  11 20 o 95.8267 2.03343 46.302       2.98177  54.0322      3.00043  49.3263     358.656     62.1605     178.656     
1 1 1 4  11 21 f 120.722 2.09059 77.8384      3.88207  81.0609      3.88965  100.303     92.2544     0           0           
1 1 1 4  11 22 o 93.31   2.16718 52.2416      3.11521  43.0232      3.08481  71.7065     275.128     6.26192     95.128      
1 1 1 4  11 23 o 245.176 1.96485 313.598      7.61855  342.064      7.18178  236.775     67.3269     37.1192     67.3269     
1 1 1 4  11 24 o 86.3176 2.15631 40.2484      2.93941  41.1142      2.77964  55.4095     343.768     36.433      343.768     
1 1 1 4  11 25 o 196.868 2.05309 215.723      6.22856  206.984      6.21773  195.866     21.0487     44.5097     21.0487     
1 1 1 4  11 26 o 219.765 2.04522 262.33       6.92592  264.404      6.91659  220.46      194.914     51.0694     194.914     
1 1 1 4  11 27 o 83.8334 2.2989  40.1405      2.93312  36.7023      2.98399  54.4787     16.0457     31.5449     196.046     
1 1 1 4  11 28 o 46.6938 2.73886 13.9686      1.93678  10.1617      1.92624  17.3784     118.504     3.13881     298.504     
1 1 1 4  11 29 f 54.7496 2.54067 16.8811      2.12561  15.9991      2.13323  50.1028     327.198     0           0           
1 1 1 4  11 30 o 144.643 2.25337 117.98       4.79772  110.473      5.21378  125.547     99.1146     1.36837     279.115     
1 1 1 4  11 31 f 99.5233 2.47693 52.3259      3.79488  56.0579      3.78137  115.853     210.756     0           0           
1 1 1 4  11 32 o 30.4813 4.45671 4.00346      1.95745  6.7395       2.10224  15.8586     175.7       75.9939     175.7       
1 1 1 4  11 33 o 43.9163 3.53585 9.25956      2.32131  12.3173      2.33132  8.70014     58.4575     52.0967     238.457     
1 1 1 4  11 34 o 33.3773 4.66711 6.93668      2.40889  5.86602      2.22111  6.28981     245.8       29.9738     65.8003     
1 1 1 4  11 35 o 19.1476 4.76162 -0.252235    1.96696  3.08321      1.9021   12.4096     107.393     39.1961     107.393     
1 1 1 4  11 36 o 112.317 2.34715 69.638       3.88335  68.7964      4.21743  90.01       209.331     14.7944     29.3308     
1 1 1 4  11 37 o 261.795 1.94567 382.431      7.85564  368.177      7.83008  263.408     297.279     66.4693     297.279     
1 1 1 4  11 38 o 52.5295 2.65963 13.8876      2.08663  16.759       2.18037  25.683      22.0854     37.1075     202.085     
1 1 1 4  11 39 o 69.4541 2.34697 24.9105      2.49238  28.4073      2.50563  57.7263     302.763     3.73827     122.763     
1 1 1 4  11 40 o 74.9868 2.42258 32.9788      2.661    29.3045      2.89154  82.3239     164.71      36.8367     164.71      
1 1 1 4  11 41 o 31.3409 3.81028 3.43524      1.70097  8.42137      1.71943  22.2446     48.7343     3.62078     228.734     
1 1 1 4  11 42 o 20.7782 4.60598 3.73703      1.87085  1.26411      1.55227  4.67889     350.381     19.5003     170.381     
1 1 1 4  11 43 f 12.9499 4.0032  -0.46158     1.49033  0.076133     1.54639  23.9843     319.376     0           0           
1 1 1 4  11 44 o 74.0663 2.69903 30.9541      3.08356  30.5796      3.05241  71.897      359.473     17.1612     359.473     
1 1 1 4  11 45 o 34.3543 4.05458 6.80157      2.08526  7.25604      2.0508   19.6184     227.388     17.7564     47.3876     
1 1 1 4  11 46 f 60.9061 2.66853 20.7632      2.42019  21.2008      2.55987  43.8612     206.848     0           0           
1 1 1 4  11 47 o 29.7908 4.59564 4.64708      1.98228  6.52421      2.12852  20.5911     269.403     5.3962      89.4033     
1 1 1 4  11 48 o 31.4064 4.52478 8.37775      1.9223   4.11933      2.29457  29.0343     40.7647     11.3577     40.7647     
1 1 1 4  11 49 o 34.8276 5.05566 7.39747      2.34592  8.46279      2.89379  23.369      211.002     9.35757     31.0021     
1 1 1 4  11 50 o 47.6108 3.33808 13.9573      2.34163  13.106       2.47689  54.7449     336.774     32.2501     336.774     
1 1 1 4  11 51 o 13.7338 4.37693 0.583338     1.98418  -1.56594     2.03491  4.0726      215.228     2.74197     35.2276     
1 1 1 4  11 52 o 17.9791 5.14389 1.90433      2.16432  1.68957      2.25726  4.05178     69.5859     18.6187     249.586     
1 1 1 4  11 53 o 17.6182 4.73589 0.365771     1.99127  3.00163      1.84926  9.45228     124.277     0.906771    304.277     
1 1 1 4  11 54 o 16.4335 4.77277 2.17342      2.04895  0.720324     1.86532  3.06046     55.7434     18.2514     235.743     
1 1 1 4  11 55 o 15.0379 4.5976  0.742852     2.0797   0.983081     1.83514  7.80657     20.9371     1.03683     20.9371     
1 1 1 4  11 56 o 18.4953 5.01233 2.70353      2.01292  2.38115      1.98646  9.94859     347.015     6.42577     167.015     
1 1 1 4  11 57 o 17.3174 4.75725 -0.0766196   2.0783   3.66377      2.00257  10.8931     283.379     0.714839    283.379     
1 1 1 4  11 58 f 11.8297 3.95358 -0.609318    1.90329  -1.25625     1.89605  1.03783     299.076     0           0           
1 1 1 4  11 59 o 17.857  4.94725 1.41234      2.03436  3.42641      2.05842  6.88324     332.679     0.997064    152.679     
1 1 1 4  11 60 o 16.6303 4.87806 1.7357       2.08693  2.7205       2.05118  7.78731     66.9191     4.6112      246.919     
1 1 1 4  11 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  12 0  o 30.0146 3.01639 5.19511      1.31291  5.19511      1.31291  0.179478    179.998     0.391032    179.998     
1 1 1 4  12 1  o 362.297 1.85053 730.588      10.3287  699.274      10.316   356.489     210.24      68.1612     210.24      
1 1 1 4  12 2  o 306.787 1.84263 499.707      8.69805  525.601      8.70787  319.156     326.764     100.819     326.764     
1 1 1 4  12 3  o 70.7674 2.0592  27.7986      2.24054  26.8504      2.23739  7.9286      134.144     52.3053     134.144     
1 1 1 4  12 4  o 243.76  1.84764 327.041      6.94083  320.186      6.92946  245.038     195.066     73.3875     195.066     
1 1 1 4  12 5  o 342.451 1.97336 653.111      10.4177  624.498      10.3915  302.539     138.046     5.37019     318.046     
1 1 1 4  12 6  o 535.059 2.55545 1541.46      22.1856  1578.1       19.8286  483.149     123.938     1.67058     303.938     
1 1 1 4  12 7  o 57.2772 2.86761 18.2006      2.51183  17.7346      2.51359  10.1504     340.715     38.5759     340.715     
1 1 1 4  12 8  o 184.469 2.288   185.852      6.19283  184.905      6.79047  171.097     115.426     36.3114     115.426     
1 1 1 4  12 9  o 246.74  2.26886 329.5        8.21699  333.845      9.01075  222.451     265.006     12.6178     265.006     
1 1 1 4  12 10 o 470.363 2.40094 1190.74      17.3815  1220.25      17.3971  507.919     352.919     168.344     352.919     
1 1 1 4  12 11 o 125.711 2.77935 94.1108      5.37633  78.6714      5.34125  95.7812     82.3192     5.04784     262.319     
1 1 1 4  12 12 o 116.965 2.37436 74.9552      4.45413  74.2651      4.08356  93.9198     152.627     9.1544      152.627     
1 1 1 4  12 13 f 290.941 2.27732 460.802      10.6621  461.703      9.72074  227.517     153.614     0           0           
1 1 1 4  12 14 o 203.711 2.55363 216.596      8.38392  236.024      7.5703   167.531     334.805     24.0183     154.805     
1 1 1 4  12 15 o 416.196 2.29356 937.702      14.0083  950.477      15.3676  408.919     244.145     67.7538     244.145     
1 1 1 4  12 16 o 201.511 1.94286 230.851      6.25539  211.878      5.80474  166.105     253.871     23.9594     73.8712     
1 1 1 4  12 17 f 227.452 1.87326 279.963      6.56064  283.844      6.56137  188.981     351.346     0           0           
1 1 1 4  12 18 o 251.687 1.88901 346.22       7.32272  344.18       7.31976  231.405     224.254     13.5821     224.254     
1 1 1 4  12 19 o 149.643 1.92387 116.532      4.4242   127.677      4.43591  106.077     279.514     49.2998     99.5142     
1 1 1 4  12 20 o 170.994 1.91523 158.487      5.04491  160.237      5.04103  176.501     330.359     55.9944     330.359     
1 1 1 4  12 21 o 114.211 2.10308 74.8413      3.69953  67.5383      3.68748  68.6555     39.8728     57.2411     219.873     
1 1 1 4  12 22 o 164.254 2.05676 146.073      5.1968   148.12       5.20752  161.006     278.452     37.6826     278.452     
1 1 1 4  12 23 o 129.056 2.02963 89.5876      4.13983  92.0426      3.92066  115.652     31.9684     11.3751     31.9684     
1 1 1 4  12 24 o 123.379 1.97409 80.5114      3.74863  85.5215      3.75001  112.702     356.687     15.0909     356.687     
1 1 1 4  12 25 o 230.876 2.04744 293.932      7.28908  287.455      7.26875  188.191     322.93      33.7899     142.93      
1 1 1 4  12 26 o 102.554 2.21705 56.6499      3.50018  58.2143      3.49342  72.4404     65.2316     30.4397     245.232     
1 1 1 4  12 27 o 176.655 2.02611 172.051      5.33025  168.364      5.68299  156.285     140.6       2.03219     140.6       
1 1 1 4  12 28 o 84.0407 2.18987 39.9947      2.83341  37.2127      2.82243  73.6874     220.468     11.4885     220.468     
1 1 1 4  12 29 f 125.979 2.04652 90.3551      3.9757   82.9102      3.95968  108.818     170.061     0           0           
1 1 1 4  12 30 o 72.6925 2.50845 30.2985      2.80586  27.6162      2.78907  51.0572     273.809     17.8574     93.809      
1 1 1 4  12 31 o 246.091 2.45213 340.901      9.30063  321.356      9.27873  239.211     5.50747     43.6886     5.50747     
1 1 1 4  12 32 o 109.165 2.40088 64.3678      4.02051  66.1131      4.04123  99.6094     335.691     11.2122     335.691     
1 1 1 4  12 33 o 96.2998 2.49752 57.4797      3.48931  44.6195      3.81054  99.7063     305.543     37.0283     305.543     
1 1 1 4  12 34 o 65.1723 3.22039 24.3254      3.22051  22.6858      3.20014  48.3195     59.4315     10.2014     239.432     
1 1 1 4  12 35 o 73.7558 2.52789 26.8208      2.85606  33.2005      2.84159  54.0058     26.2579     16.3584     206.258     
1 1 1 4  12 36 o 37.2784 3.1939  7.54262      1.79558  8.04143      1.79472  26.1996     337.137     3.10911     337.137     
1 1 1 4  12 37 o 86.26   2.20786 42.7845      2.92354  39.0997      2.92741  86.8133     95.4138     26.2588     95.4138     
1 1 1 4  12 38 o 18.7579 4.48399 1.00258      1.7495   2.50172      1.47359  2.3616      23.0182     2.96699     203.018     
1 1 1 4  12 39 o 60.1817 2.96154 18.2316      2.98495  22.3219      2.32477  56.4305     42.1843     11.4037     42.1843     
1 1 1 4  12 40 o 64.8002 2.60547 23.2611      2.73605  23.4599      2.43065  55.1413     301.754     0.156463    301.755     
1 1 1 4  12 41 o 34.3618 3.92752 5.64167      2.09921  8.21462      1.80136  31.813      355.563     12.4218     355.563     
1 1 1 4  12 42 o 34.2769 3.66989 6.28649      1.92843  7.35997      1.79976  28.8369     42.5365     4.21937     42.5365     
1 1 1 4  12 43 f 49.572  2.8097  13.3558      2.12587  14.3615      2.12529  37.217      81.0475     0           0           
1 1 1 4  12 44 o 22.4471 4.61462 3.21112      1.72308  2.93794      1.65792  17.4909     225.815     8.24288     225.815     
1 1 1 4  12 45 o 47.1033 3.1539  11.9807      2.17852  13.5679      2.34283  41.9882     162.662     5.60289     162.662     
1 1 1 4  12 46 o 16.3661 4.50301 1.74601      1.59535  0.450643     1.76475  3.07339     143.64      1.64208     323.64      
1 1 1 4  12 47 o 43.5251 3.81486 9.03482      2.29611  13.7942      2.68018  36.6434     229.467     2.08032     229.467     
1 1 1 4  12 48 o 37.5865 4.63017 9.06917      2.56083  8.77693      2.60298  40.0717     274.981     22.7759     274.981     
1 1 1 4  12 49 o 32.801  4.17051 6.35344      1.93661  7.19492      2.12314  26.5681     330.372     1.22214     330.372     
1 1 1 4  12 50 o 17.1763 5.09091 1.75967      2.20884  0.579569     2.38686  5.56601     45.0328     12.8544     225.033     
1 1 1 4  12 51 o 17.4023 5.15278 1.43389      2.25244  1.40629      2.38578  10.1288     321.801     0.52785     141.802     
1 1 1 4  12 52 o 31.1511 4.86475 5.47979      2.0316   8.11993      2.52893  24.9194     69.8035     0.948571    69.8035     
1 1 1 4  12 53 o 14.9127 4.56685 -2.11449     1.96006  2.33446      2.22248  5.38357     102.927     0.233564    102.927     
1 1 1 4  12 54 o 19.2849 4.76282 0.364907     2.06793  4.34426      1.94912  12.5738     100.631     3.11554     280.631     
1 1 1 4  12 55 o 33.1805 4.57815 9.05155      2.21166  6.67979      2.28208  35.0375     51.6894     18.7628     51.6894     
1 1 1 4  12 56 o 38.5026 4.00864 9.54865      2.29436  10.6144      2.31022  37.8597     324.66      14.2744     324.66      
1 1 1 4  12 57 o 13.6069 4.3129  -1.99996     2.11807  1.55036      1.92617  3.53527     167.362     6.46173     347.362     
1 1 1 4  12 58 o 12.3734 4.12053 -0.469183    2.11167  -0.971266    1.93233  0.00758037  335.493     3.46411     155.492     
1 1 1 4  12 59 o 11.138  3.82174 -2.41954     2.06646  -1.16266     2.04624  0.199072    193.547     4.52052     13.5473     
1 1 1 4  12 60 o 23.6884 5.37801 4.45522      2.33796  6.1205       2.22672  20.3277     220.688     6.79737     220.688     
1 1 1 4  13 0  o 155.715 1.99954 132.174      4.79102  132.174      4.79102  180.038     180         99.9768     180         
1 1 1 4  13 1  o 296.186 1.84479 478.31       8.41417  477.327      8.41376  257.719     114.394     9.42914     294.394     
1 1 1 4  13 2  o 259.268 1.84289 369.607      7.36027  362.669      7.35456  215.71      353.451     24.9708     173.451     
1 1 1 4  13 3  o 130.792 1.95224 106.052      4.05276  81.142       3.78919  109.803     201.319     40.0793     201.319     
1 1 1 4  13 4  o 121.232 2.03048 78.5149      3.78768  81.6229      3.79252  90.7487     236.258     6.88175     236.258     
1 1 1 4  13 5  o 268.845 1.98458 376          8.20867  411.846      8.2106   294.807     3.5115      119.729     3.5115      
1 1 1 4  13 6  o 75.8547 2.43719 34.3106      2.57993  28.6535      3.02225  13.9511     66.9768     61.7658     246.977     
1 1 1 4  13 7  o 398.744 2.1656  856.81       13.2933  875.731      13.3002  459.517     27.962      206.304     27.962      
1 1 1 4  13 8  o 312.606 2.36896 538.115      11.4096  526.936      11.397   202.009     291.615     156.029     111.615     
1 1 1 4  13 9  o 297.253 2.36707 477.926      10.8305  485.114      10.8391  240.836     81.0675     49.4543     261.067     
1 1 1 4  13 10 o 316.322 2.51496 546.973      12.9236  543.782      11.5419  273.818     142.814     18.1772     322.814     
1 1 1 4  13 11 o 126.368 2.44649 82.1728      4.74282  92.1806      4.75858  85.4375     314.032     41.1015     134.032     
1 1 1 4  13 12 o 149.348 2.33388 125.329      5.61159  117.873      5.12337  110.896     286.44      34.9909     106.44      
1 1 1 4  13 13 o 291.569 2.3813  465.562      10.691   461.287      10.6921  258.5       350.809     3.5075      170.809     
1 1 1 4  13 14 o 340.779 2.38869 640.151      12.54    626.111      12.5288  335.217     338.56      60.5492     338.56      
1 1 1 4  13 15 o 102.838 2.31176 55.8933      3.64683  59.5628      3.66332  89.5101     13.9035     14.5271     13.9035     
1 1 1 4  13 16 o 174.371 2.21978 161.721      5.94934  169.836      5.96916  171.395     224.651     39.0166     224.651     
1 1 1 4  13 17 o 16.666  3.98533 1.20318      1.47373  1.51316      0.999827 37.1225     215.637     81.0683     215.637     
1 1 1 4  13 18 o 150.72  2.06561 125.547      4.7991   122.136      4.78859  129.474     36.0153     1.43561     216.015     
1 1 1 4  13 19 o 204.012 1.90503 225.517      5.98381  228.213      5.98556  213.005     274.51      69.0164     274.51      
1 1 1 4  13 20 o 260.808 1.89576 377.701      7.61545  363.921      7.61003  268.472     20.467      75.8066     20.467      
1 1 1 4  13 21 o 112.105 2.14413 70.2043      3.70061  66.9827      3.69398  85.3295     51.9807     17.7994     231.981     
1 1 1 4  13 22 o 43.8762 2.74614 9.95344      1.82771  11.2509      1.83962  6.51825     176.086     16.3687     356.086     
1 1 1 4  13 23 o 176.42  2.14741 169.719      5.59701  169.791      6.06138  164.604     109.606     20.1991     109.606     
1 1 1 4  13 24 o 290.763 1.91416 458.918      8.57083  463.027      8.57005  296.651     22.7413     77.5857     22.7413     
1 1 1 4  13 25 o 182.84  2.02052 184.482      5.87699  180.166      5.49825  157.266     37.6581     6.5438      217.658     
1 1 1 4  13 26 o 211.667 2.07445 238.742      6.75849  250.115      6.76193  178.728     149.054     15.3323     329.054     
1 1 1 4  13 27 o 202.647 2.01646 219.225      6.08352  228.886      6.50124  185.861     152.093     16.0586     152.093     
1 1 1 4  13 28 f 167.554 1.98425 158.259      5.12047  148.165      5.11484  175.114     185.933     0           0           
1 1 1 4  13 29 o 115.348 2.55675 76.3924      4.31532  69.2965      4.71858  124.35      164.188     52.2294     164.188     
1 1 1 4  13 30 o 168.709 2.40463 157.883      5.91005  153.334      6.55647  178.466     80.3297     62.5262     80.3297     
1 1 1 4  13 31 o 33.8632 3.68823 6.83803      1.84872  6.08368      1.86819  10.967      85.2625     11.15       265.262     
1 1 1 4  13 32 o 81.5711 2.61037 36.2872      3.26055  36.7946      3.28025  69.288      227.738     2.34228     227.738     
1 1 1 4  13 33 o 36.5307 4.23237 6.69784      2.26278  8.54512      2.318    16.9905     248.862     2.98927     68.8619     
1 1 1 4  13 34 o 97.7082 2.30222 54.2148      3.457    50.6132      3.45796  91.226      232.1       15.8289     232.1       
1 1 1 4  13 35 o 45.2963 3.12467 13.2749      2.11592  9.74873      2.13649  35.6825     0.516961    1.58787     0.51696     
1 1 1 4  13 36 o 29.138  4.03859 7.77689      1.9435   2.57339      1.59788  15.396      232.567     3.18925     232.567     
1 1 1 4  13 37 o 57.2412 2.58975 20.0233      2.3206   16.4069      2.21264  41.6034     266.9       13.5889     86.9003     
1 1 1 4  13 38 o 34.9866 3.49168 7.46621      1.84735  6.52158      1.80572  32.5298     123.601     14.3512     123.601     
1 1 1 4  13 39 o 82.2603 2.25991 38.9481      2.85816  35.9193      2.85282  92.063      293.233     44.4311     293.233     
1 1 1 4  13 40 o 29.8362 3.86619 5.42219      1.70915  5.00404      1.71152  11.1374     70.774      25.0958     250.774     
1 1 1 4  13 41 o 34.9548 3.44025 6.35917      1.78846  7.73794      1.79917  25.8917     72.4514     3.80426     252.451     
1 1 1 4  13 42 f 51.3398 2.84753 14.8988      2.30878  14.8358      2.1547   42.1726     78.81       0           0           
1 1 1 4  13 43 o 50.5471 3.18976 15.7474      2.55153  13.5114      2.36171  48.1314     209.893     11.5779     209.893     
1 1 1 4  13 44 o 34.2186 4.35452 8.07928      2.26828  6.20881      2.14596  19.9652     7.28621     15.8451     187.286     
1 1 1 4  13 45 o 44.5611 3.44674 10.2292      2.38517  13.0638      2.19233  42.4323     68.9775     12.2695     68.9775     
1 1 1 4  13 46 o 43.2115 3.33022 10.0489      2.17241  11.7966      2.17303  26.5689     17.8213     18.1487     197.821     
1 1 1 4  13 47 o 22.0369 5.00228 2.48009      1.95589  3.72159      1.94491  13.7826     36.6329     0.313538    216.633     
1 1 1 4  13 48 o 36.5333 4.64224 10.5871      2.33375  6.71347      2.58912  35.2274     12.4842     13.1748     12.4842     
1 1 1 4  13 49 o 20.947  5.19446 2.34462      1.95429  3.56657      2.20759  13.2143     156.395     2.92477     336.395     
1 1 1 4  13 50 o 27.2979 5.33241 4.91706      2.30408  5.79563      2.33905  22.0255     204.634     1.96008     204.634     
1 1 1 4  13 51 o 20.7093 5.13856 2.67191      1.92034  3.36991      2.13614  14.5338     312.465     2.47126     312.465     
1 1 1 4  13 52 o 13.1784 4.24422 -0.258947    1.84211  -0.342952    1.95059  2.38978     19.0611     1.30812     199.061     
1 1 1 4  13 53 f 14.025  4.39127 1.1571       1.79396  -1.25221     2.18864  7.14271     292.702     0           0           
1 1 1 4  13 54 o 14.6347 4.58163 0.82062      2.03995  0.340629     2.05144  5.32153     51.031      8.41719     231.031     
1 1 1 4  13 55 o 13.3289 4.28378 0.186972     1.8873   -0.13954     1.95608  1.45906     32.0337     0.154053    212.034     
1 1 1 4  13 56 o 46.2364 3.51818 13.9109      2.44251  14.0016      2.48832  48.6696     70.1239     23.2704     70.124      
1 1 1 4  13 57 o 16.404  4.88881 1.23594      2.00375  2.25806      2.21849  5.12733     298.315     5.03131     118.315     
1 1 1 4  13 58 o 16.6132 4.79548 0.44471      1.99256  3.28163      2.09404  6.30496     332.679     2.70599     152.679     
1 1 1 4  13 59 o 12.1242 4.05884 -0.6074      2.04959  -0.487157    1.98161  2.70575     166.252     5.43653     346.252     
1 1 1 4  13 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  14 0  o 67.1161 2.03255 24.6679      2.09188  24.6679      2.09188  8.04866     180         89.2126     8.75398e-06 
1 1 1 4  14 1  o 134.633 1.88616 94.3403      3.90158  103.251      3.91375  119.183     32.719      18.403      32.7191     
1 1 1 4  14 2  o 233.195 1.97549 303.834      7.09674  288.797      7.08782  240.23      147.729     72.5318     147.729     
1 1 1 4  14 3  o 102.732 2.05706 60.165       3.2533   54.9896      3.24392  40.749      198.96      85.8901     18.9605     
1 1 1 4  14 4  o 305.601 1.97895 520.631      9.32228  497.149      9.3      291.203     116.295     39.0546     116.295     
1 1 1 4  14 5  o 198.772 1.93799 209.594      6.11608  221.003      5.72802  172.281     222.205     2.16007     42.2048     
1 1 1 4  14 6  f 98.5159 2.09779 59.1626      3.16596  47.0498      3.16058  92.3705     153.371     0           0           
1 1 1 4  14 7  o 256.066 2.36358 357.068      9.32083  357.717      9.31899  217.503     19.5384     18.6436     199.538     
1 1 1 4  14 8  o 69.5871 2.69885 21.0543      2.81336  32.5387      2.84995  28.6156     127.519     29.1541     307.519     
1 1 1 4  14 9  o 190.313 2.52963 197.842      7.81914  197.101      6.9855   176.838     18.7133     22.3169     18.7133     
1 1 1 4  14 10 o 222.69  2.37952 268.818      8.1609   271.884      8.15848  180.367     154.437     32.5099     334.437     
1 1 1 4  14 11 o 216.549 2.2871  255.182      7.26716  256.086      7.97097  207.674     321.882     34.5804     321.882     
1 1 1 4  14 12 o 271.53  2.38837 409.062      9.98714  394.986      9.98341  265.096     103.584     48.3453     103.584     
1 1 1 4  14 13 o 144.619 2.46321 118.777      5.49325  109.493      5.46739  113.005     119.006     23.4495     299.006     
1 1 1 4  14 14 o 184.743 2.20631 176.742      6.26116  195.638      6.28088  179.779     226.093     37.7662     226.093     
1 1 1 4  14 15 o 194.828 2.20099 213.068      6.61099  200.931      6.59187  206.448     231.054     74.0311     231.054     
1 1 1 4  14 16 o 53.1683 2.90918 16.5462      2.50666  14.5328      2.22246  30.6077     7.58891     142.711     7.58891     
1 1 1 4  14 17 o 45.7336 3.07123 13.5154      2.12145  9.6951       2.10334  2.76537     321.923     16.4867     141.923     
1 1 1 4  14 18 o 323.944 2.19267 579.348      10.9471  565.26       10.9277  294.054     359.648     13.2757     359.648     
1 1 1 4  14 19 o 159.389 2.15284 140.503      5.03833  136.598      5.51145  170.801     297.595     69.0032     297.595     
1 1 1 4  14 20 o 29.499  3.24035 4.68646      1.43558  5.05229      1.41013  10.6292     150.474     37.453      150.474     
1 1 1 4  14 21 o 30.3729 3.42637 6.7983       1.51814  3.7543       1.50023  24.7031     293.285     84.0151     293.285     
1 1 1 4  14 22 o 102.534 2.18188 54.8771      3.43581  59.981       3.4414   81.7083     353.209     9.6369      173.209     
1 1 1 4  14 23 o 135.935 2.12768 95.4527      4.43952  106.275      4.45938  91.4299     302.865     52.996      122.865     
1 1 1 4  14 24 o 181.319 1.96156 181.919      5.48     176.697      5.47303  153.728     75.0288     9.40601     255.029     
1 1 1 4  14 25 o 171.112 2.09634 154.47       5.49147  165.11       5.55324  139.834     304.933     18.4865     124.933     
1 1 1 4  14 26 o 41.2374 3.57093 8.42802      1.94199  10.5437      2.50498  10.9004     47.6348     28.7093     227.635     
1 1 1 4  14 27 o 154.479 2.12941 129.985      5.06346  130.553      5.06747  168.809     166.826     70.8122     166.826     
1 1 1 4  14 28 o 108.012 2.25152 62.782       3.73814  64.803       3.74277  60.2988     39.6667     66.1208     219.667     
1 1 1 4  14 29 o 120.554 2.22212 77.6525      4.11748  81.3286      4.12424  116.813     131.526     26.6397     131.526     
1 1 1 4  14 30 f 102.329 2.33751 58.0623      3.77846  56.6388      3.57785  69.889      319.929     0           0           
1 1 1 4  14 31 o 77.3066 2.44942 35.5457      2.9098   30.1764      2.89324  72.6901     193.119     18.998      193.119     
1 1 1 4  14 32 o 94.4715 2.54823 53.2311      3.69801  45.0225      3.68354  86.3682     45.5568     12.931      45.5568     
1 1 1 4  14 33 o 98.186  2.59031 48.8433      4.19478  57.4287      3.51606  85.2563     206.571     3.03673     206.571     
1 1 1 4  14 34 o 32.309  3.77684 7.22393      1.82144  4.80881      1.76939  18.2124     91.3102     5.98669     271.31      
1 1 1 4  14 35 o 15.9977 4.29068 1.0879       1.50601  1.0514       1.40336  3.24704     291.975     18.4968     291.975     
1 1 1 4  14 36 o 39.2751 3.40511 7.50032      1.98922  10.062       2.0021   36.8742     6.76746     13.2234     6.76746     
1 1 1 4  14 37 o 32.3673 3.69158 6.38506      1.88643  5.68991      1.66968  28.0377     302.228     11.2291     302.228     
1 1 1 4  14 38 o 48.2064 2.74652 11.8561      2.00092  14.1987      2.03075  45.2616     327.588     11.7849     327.588     
1 1 1 4  14 39 o 68.9028 2.49234 27.3335      2.51647  25.5277      2.73881  65.7636     38.8449     15.3858     38.8449     
1 1 1 4  14 40 o 12.3719 3.8576  -1.06079     1.38564  0.281448     1.52875  2.25158     3.13132     12.199      3.13132     
1 1 1 4  14 41 o 58.414  2.7606  18.3407      2.29829  20.0601      2.63878  58.3436     16.6326     18.9392     16.6326     
1 1 1 4  14 42 o 23.6401 4.12486 1.36635      1.63033  5.40754      1.64561  17.3569     150.433     0.351141    330.433     
1 1 1 4  14 43 o 76.8803 2.39127 32.5871      2.82404  33.6901      2.82337  67.9654     213.003     5.96057     213.003     
1 1 1 4  14 44 o 29.8623 4.11378 7.03957      1.82237  3.99504      1.80979  25.8109     294.544     7.21442     294.544     
1 1 1 4  14 45 o 45.7726 3.02037 11.1592      2.09183  13.0433      2.10569  34.143      131.404     6.92108     311.404     
1 1 1 4  14 46 o 14.9064 4.52409 0.347222     1.86708  0.373474     1.85957  2.49567     147.982     6.10608     327.982     
1 1 1 4  14 47 o 38.5309 3.97016 9.32003      2.40019  8.98871      2.16804  37.0345     136.787     13.03       136.787     
1 1 1 4  14 48 o 51.9653 3.47648 14.4805      2.83025  18.2066      2.57734  53.2249     276.661     21.2355     276.661     
1 1 1 4  14 49 o 23.4104 5.78336 5.06407      2.56945  2.92751      2.73198  19.1061     231.146     5.04547     231.146     
1 1 1 4  14 50 o 18.1376 4.69464 0.896011     1.7932   3.07565      1.81177  10.6392     324.442     0.146696    144.442     
1 1 1 4  14 51 o 22.04   5.07128 4.03605      1.90665  3.0059       2.11356  16.1436     3.61196     1.36882     3.61197     
1 1 1 4  14 52 o 24.3801 5.15646 4.49253      2.07627  4.52182      2.09471  19.473      125.465     1.94739     125.465     
1 1 1 4  14 53 o 22.6754 5.26803 2.81632      1.97439  5.4365       2.36317  19.6455     68.2176     8.05234     68.2176     
1 1 1 4  14 54 o 32.9995 4.96064 7.02517      2.18322  9.34913      2.71079  29.1289     142.398     6.70526     142.398     
1 1 1 4  14 55 o 22.7676 5.38845 5.22778      2.27567  3.60272      2.24148  19.1514     83.3742     7.70294     83.3742     
1 1 1 4  14 56 o 10.6058 3.64312 -2.46735     1.81617  -1.52734     1.92435  0.235064    260.783     2.09167     260.783     
1 1 1 4  14 57 o 13.2378 4.30819 0.0810404    1.95374  -0.074115    2.09508  0.525409    156.84      1.42361     336.84      
1 1 1 4  14 58 o 14.7346 4.55736 -0.0470865   2.02029  2.30485      2.04405  5.6139      350.699     2.44913     170.699     
1 1 1 4  14 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  15 0  o 299.884 1.97892 489.963      9.13665  489.963      9.13665  301.138     8.63596e-07 64.0139     8.63596e-07 
1 1 1 4  15 1  f 94.7671 2.16954 48.0964      3.27519  49.9115      3.03872  7.31361     149.212     0           0           
1 1 1 4  15 2  o 200.957 1.98898 225.659      6.15887  214.549      6.14832  171.474     18.5142     8.38119     198.514     
1 1 1 4  15 3  o 199.699 1.92667 210.499      5.72569  224.232      6.12533  191.2       199.303     34.6115     199.303     
1 1 1 4  15 4  o 172.499 1.87302 163.175      4.97571  161.107      4.97475  167.307     356.634     37.6719     356.634     
1 1 1 4  15 5  o 43.5952 2.42912 10.7117      1.57256  10.1449      1.65773  24.9097     28.3149     104.619     28.3149     
1 1 1 4  15 6  o 145.805 2.30235 118.713      5.43369  113.114      4.90182  138.979     105.463     30.6385     105.463     
1 1 1 4  15 7  o 180.128 2.53791 176.816      7.42886  177.067      6.62666  183.348     81.9119     55.1027     81.9119     
1 1 1 4  15 8  o 147.276 2.20663 114.015      4.99253  122.546      5.01207  120.955     241.725     11.066      61.7254     
1 1 1 4  15 9  o 302.917 2.36995 507.623      11.0635  493.1        11.0447  275.074     66.0515     13.1368     66.0514     
1 1 1 4  15 10 o 143.526 2.48573 113.397      6.02866  111.383      4.90442  50.2545     220.482     149.188     40.4821     
1 1 1 4  15 11 o 316.27  2.28769 536.169      11.6355  554.744      10.6034  291.679     260.964     22.9768     260.964     
1 1 1 4  15 12 o 218.118 2.39379 264.246      8.04218  254.745      8.03634  214.649     96.2558     48.0114     96.2558     
1 1 1 4  15 13 o 317.8   2.18335 552.158      10.6902  549.247      10.6794  322.929     359.75      84.219      359.75      
1 1 1 4  15 14 o 72.8209 2.48242 27.0306      2.76647  31.0319      2.77475  9.87162     245.142     95.9672     65.142      
1 1 1 4  15 15 o 15.7569 4.25805 0.916634     1.43868  0.938396     1.44021  6.57726     245.078     14.2585     245.078     
1 1 1 4  15 16 o 184.955 2.22112 182.593      6.3149   190.593      6.33532  181.473     236.745     42.6155     236.745     
1 1 1 4  15 17 o 66.2923 2.62411 26.4481      2.66633  21.7886      2.65144  43.6922     44.0758     7.2542      44.0758     
1 1 1 4  15 18 o 235.21  2.20395 289.782      7.96187  313.986      7.99503  246.155     241.365     80.3226     241.365     
1 1 1 4  15 19 o 178.884 2.23865 179.946      6.16633  169.262      6.16267  204.583     346.273     100.114     346.273     
1 1 1 4  15 20 o 72.4426 2.61555 30.5716      2.8887   26.9382      2.91639  60.027      152.819     10.398      152.819     
1 1 1 4  15 21 o 128.228 2.31016 95.6117      4.56271  84.0763      4.54292  110.898     60.4872     2.56042     60.4871     
1 1 1 4  15 22 o 185.982 2.28045 189.718      5.89553  187.796      7.10369  171.582     169.883     19.6763     169.883     
1 1 1 4  15 23 o 48.3205 3.02136 14.6112      2.04235  11.2348      2.32235  1.47602     297.263     69.3107     117.263     
1 1 1 4  15 24 o 99.878  2.12582 53.646       3.2587   55.3371      3.27254  84.7782     220.6       2.51287     220.6       
1 1 1 4  15 25 o 54.6549 2.68155 16.5322      2.29735  16.2843      2.18771  40.4844     340.812     5.66799     340.812     
1 1 1 4  15 26 o 32.7936 3.67208 5.47095      1.7777   6.65273      1.79708  7.31644     114.382     8.83458     294.382     
1 1 1 4  15 27 o 91.2838 2.49657 47.2034      3.49878  44.1118      3.50342  102.864     340.169     56.1735     340.169     
1 1 1 4  15 28 o 52.2109 2.92312 15.8751      2.26096  14.2303      2.38557  40.0249     177.547     3.58087     177.547     
1 1 1 4  15 29 o 106.101 2.43886 65.2376      4.34928  58.2933      3.60682  88.3048     143.301     3.67791     323.301     
1 1 1 4  15 30 o 49.555  3.25846 13.3247      2.68474  13.9667      2.18565  29.4473     176.657     18.5144     176.657     
1 1 1 4  15 31 o 41.0177 3.79889 8.53976      2.53545  10.4652      2.02345  26.7729     267.364     3.09332     87.3644     
1 1 1 4  15 32 o 32.7536 3.89207 5.86609      1.93584  6.39135      1.84454  15.4683     293.229     12.7627     113.229     
1 1 1 4  15 33 o 180.355 2.05394 183.715      5.90139  173.224      5.5083   180.145     56.5614     48.7491     56.5614     
1 1 1 4  15 34 o 56.5047 2.63068 15.4957      2.29938  20.0572      2.20774  57.2781     225.437     21.9823     225.437     
1 1 1 4  15 35 o 54.5161 2.84465 17.1491      2.27015  16.009       2.4582   64.9174     262.217     43.6791     262.217     
1 1 1 4  15 36 o 87.8374 2.21023 44.7934      2.98806  40.4527      2.97607  81.7308     163.127     14.0705     163.127     
1 1 1 4  15 37 o 31.7659 4.2791  5.29013      1.91588  6.65485      2.12051  5.24009     146.308     40.7054     326.308     
1 1 1 4  15 38 o 25.2124 4.66163 3.81144      1.83927  3.86205      1.8208   13.5651     356.944     8.47587     176.944     
1 1 1 4  15 39 o 18.81   4.42237 1.27707      1.55747  2.60523      1.5217   6.07101     51.8695     10.1572     231.869     
1 1 1 4  15 40 f 23.2159 4.42847 3.22267      1.61932  3.30862      1.61956  19.402      112.582     0           0           
1 1 1 4  15 41 o 35.5086 3.61424 5.71217      1.8543   9.23326      1.89751  29.117      242.606     0.801601    242.606     
1 1 1 4  15 42 o 14.5663 4.19272 1.25779      1.52607  -0.161717    1.51823  2.53414     108.964     8.28626     288.964     
1 1 1 4  15 43 o 60.1769 2.65247 18.5295      2.42616  22.6597      2.4462   52.0444     172.104     4.04991     172.104     
1 1 1 4  15 44 o 23.096  4.37353 4.92769      1.70831  1.69774      1.70828  13.1732     301.066     6.07424     121.066     
1 1 1 4  15 45 o 29.9119 4.40406 4.85044      1.96484  6.4485       1.96299  23.4489     161.207     1.70193     161.207     
1 1 1 4  15 46 o 39.8633 3.81173 9.26844      2.27821  10.162       2.27592  30.2109     188.194     3.93436     8.19356     
1 1 1 4  15 47 o 24.1311 4.90866 4.14606      1.91274  3.78717      1.93485  19.2016     303.713     4.19778     303.713     
1 1 1 4  15 48 o 15.7002 4.8078  1.76252      2.35092  -0.640296    2.00429  7.48584     26.9249     3.51472     206.925     
1 1 1 4  15 49 o 22.973  5.19005 3.68972      2.06624  3.91328      2.08023  17.8647     333.979     4.33821     333.979     
1 1 1 4  15 50 o 16.6591 4.76283 2.10041      1.80601  0.68109      2.11082  5.60325     166.051     1.40173     166.051     
1 1 1 4  15 51 o 14.2353 4.39001 1.45006      1.901    -0.794232    1.85164  5.70307     138.597     7.11863     318.597     
1 1 1 4  15 52 o 25.8724 5.03496 6.47636      2.18974  3.79614      2.05841  17.8073     139.28      4.20523     319.28      
1 1 1 4  15 53 o 19.8307 5.19882 2.88475      2.20325  3.3018       2.04014  14.2595     23.3691     6.03765     23.3691     
1 1 1 4  15 54 o 15.5337 4.87643 1.95693      2.40989  -0.0461808   2.31443  5.97121     91.039      8.11547     271.039     
1 1 1 4  15 55 o 15.5895 4.7218  0.155648     1.97108  2.38011      2.16157  4.44674     65.7165     2.62954     245.716     
1 1 1 4  15 56 o 17.9417 5.0248  1.5013       2.19046  3.39495      2.08535  4.15352     18.3081     0.280773    18.3081     
1 1 1 4  15 57 o 13.4451 4.32577 -0.859486    1.98974  1.48147      2.03502  2.36896     171.792     1.6083      351.792     
1 1 1 4  15 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  16 0  o 66.5593 2.38719 24.3242      2.43229  24.3242      2.43229  18.9964     180         5.83357     180         
1 1 1 4  16 1  f 101.677 2.25183 53.4008      3.51237  59.524       3.52302  76.2821     191.215     0           0           
1 1 1 4  16 2  o 179.507 2.00554 172.485      5.14408  178.812      5.92832  127.641     162.042     56.9155     342.042     
1 1 1 4  16 3  o 155.237 1.95631 133.639      4.52128  129.072      4.82066  160.989     50.0937     59.6159     50.0937     
1 1 1 4  16 4  o 192.421 2.00141 205.556      5.93102  198.116      5.9282   224.601     137.957     120.148     137.957     
1 1 1 4  16 5  o 87.0542 2.14753 40.2722      2.8763   42.4755      2.87086  72.5626     98.5906     22.7612     98.5906     
1 1 1 4  16 6  o 89.08   2.2644  45.0721      2.96756  41.6133      3.21565  60.8189     119.963     17.5982     299.963     
1 1 1 4  16 7  o 190.389 2.18038 195.789      6.39005  199.5        6.39437  175.048     284.047     20.486      284.047     
1 1 1 4  16 8  o 98.6613 2.51166 53.4501      3.80425  52.8924      3.81494  58.8979     150.405     43.2631     330.405     
1 1 1 4  16 9  o 29.0035 4.00224 2.93534      1.70899  6.86009      1.725    25.2947     285.999     69.9915     285.999     
1 1 1 4  16 10 o 134.972 2.36015 100.329      5.13934  98.4754      4.65917  89.6826     131.681     50.1744     311.681     
1 1 1 4  16 11 o 34.5546 3.95568 8.28101      2.00636  5.27912      1.99739  10.719      193.099     41.3808     193.099     
1 1 1 4  16 12 o 99.196  2.44463 49.4921      3.53363  58.184       3.92645  73.5443     112.595     13.5177     292.595     
1 1 1 4  16 13 o 125.725 2.27065 80.7483      4.37957  91.9326      4.39512  105.234     119.484     0.988505    299.484     
1 1 1 4  16 14 o 205.867 2.20834 242.141      7.0157   220.434      6.97597  207.687     348.477     57.9593     348.477     
1 1 1 4  16 15 f 126.545 2.29379 85.7503      4.456    89.1019      4.47533  125.407     42.115      0           0           
1 1 1 4  16 16 o 127.012 2.30969 95.209       4.51915  81.1657      4.49135  93.1753     271.993     31.0387     91.9933     
1 1 1 4  16 17 o 18.8858 4.64248 1.54903      1.65949  1.9486       1.65271  39.0604     280.347     93.6992     280.347     
1 1 1 4  16 18 o 134.992 2.3112  99.3798      4.80756  99.484       4.80119  128.627     20.7966     27.4628     20.7966     
1 1 1 4  16 19 o 139.248 2.31339 115.625      4.96884  96.4943      4.92132  134.727     221.303     32.2669     221.303     
1 1 1 4  16 20 o 85.0269 2.64248 40.4978      3.29796  38.64        3.58986  56.0238     220.989     27.2371     40.9891     
1 1 1 4  16 21 o 68.6588 2.9705  24.6472      3.11065  27.1298      3.13596  39.4258     138.873     29.4703     318.873     
1 1 1 4  16 22 f 219.292 2.42374 270.281      8.12737  255.095      8.23329  200.222     25.3484     0           0           
1 1 1 4  16 23 o 151.89  2.36893 133.371      4.97271  118.947      5.98409  122.951     19.4527     16.1936     199.453     
1 1 1 4  16 24 o 115.001 2.12428 72.9331      3.86904  71.6052      3.64673  108.708     298.582     21.8262     298.582     
1 1 1 4  16 25 o 223.226 2.01556 286.471      7.16729  258.128      6.69195  213.191     294.088     38.5984     294.088     
1 1 1 4  16 26 o 75.3984 2.96357 34.2978      3.87977  28.3962      2.97687  51.0261     240.502     22.818      60.5016     
1 1 1 4  16 27 o 15.884  3.99809 -1.35395     1.55334  2.35954      1.43517  4.5794      171.002     11.9686     171.002     
1 1 1 4  16 28 o 42.804  3.26007 11.1629      2.10091  9.29092      2.11076  25.579      251.545     6.811       71.545      
1 1 1 4  16 29 o 18.6892 4.43699 2.49066      1.55076  1.05589      1.55506  5.1707      102.389     19.0077     102.389     
1 1 1 4  16 30 o 56.7934 2.72351 16.9549      2.53021  18.7234      2.16489  35.823      275.251     20.8047     95.2506     
1 1 1 4  16 31 o 26.5269 4.21347 3.87463      1.67249  4.31515      1.68673  7.00629     48.9898     18.825      228.99      
1 1 1 4  16 32 o 50.3146 2.60769 13.6695      1.99419  14.411       2.01801  39.4858     342.97      2.8443      162.97      
1 1 1 4  16 33 o 44.5112 2.87326 9.18207      1.91572  13.1348      1.92534  31.66       29.2436     9.23368     209.244     
1 1 1 4  16 34 o 60.6756 2.61313 20.7139      2.28213  20.1969      2.56432  57.2849     301.163     13.8502     301.163     
1 1 1 4  16 35 o 34.8819 3.50269 8.11169      1.8214   5.91125      1.79793  20.8741     332.494     13.366      152.494     
1 1 1 4  16 36 o 26.1467 4.24958 5.17125      1.6914   3.02803      1.70109  10.4281     321.804     18.144      141.804     
1 1 1 4  16 37 o 54.1709 2.72878 18.603       2.17831  14.4159      2.29436  52.6035     291.283     16.3571     291.283     
1 1 1 4  16 38 f 52.2195 2.86213 15.5958      2.14554  15.1339      2.40728  40.8441     40.7725     0           0           
1 1 1 4  16 39 o 18.7833 4.85878 0.666078     1.88161  2.75485      1.93811  5.86594     243.825     14.8098     63.8253     
1 1 1 4  16 40 o 42.6268 3.0281  9.46007      1.94775  11.3766      1.95856  36.6985     182.008     3.69084     182.008     
1 1 1 4  16 41 o 66.8024 2.49109 26.1423      2.55174  24.1277      2.55179  58.5687     254.702     5.76045     254.702     
1 1 1 4  16 42 o 17.231  4.52178 1.48823      1.5955   1.62559      1.59942  4.26448     113.786     1.55232     293.786     
1 1 1 4  16 43 o 39.7913 3.495   8.29139      2.10881  10.4356      2.03948  38.0933     145.734     13.7632     145.734     
1 1 1 4  16 44 o 34.5794 4.07369 6.31462      2.05954  8.46469      2.1012   29.8108     232.94      6.07731     232.94      
1 1 1 4  16 45 o 17.123  4.56463 2.70435      1.74321  -0.164319    1.87324  6.52872     244.639     6.81477     64.639      
1 1 1 4  16 46 o 19.2358 4.68361 3.26253      1.75081  1.35401      1.7567   11.8574     121.747     0.920547    301.747     
1 1 1 4  16 47 o 16.9967 5.00634 0.44257      2.13124  2.09083      2.27113  9.16463     89.9052     2.57955     269.905     
1 1 1 4  16 48 o 16.2719 4.61433 2.33656      1.82596  -0.119426    1.93152  5.19289     288.606     0.585678    288.606     
1 1 1 4  16 49 o 17.3899 4.8427  2.47973      1.99569  1.15593      1.85827  8.37513     158.045     2.08415     158.045     
1 1 1 4  16 50 o 13.3378 4.31069 0.402898     1.99425  -1.1638      2.01681  5.39053     251.125     0.925393    71.125      
1 1 1 4  16 51 o 27.4258 4.73951 3.91882      2.03078  7.22052      2.06588  15.9188     240.625     11.0383     60.6249     
1 1 1 4  16 52 o 13.8972 4.26437 -1.59442     1.83789  1.86251      1.8394   5.09827     280.381     5.06252     100.381     
1 1 1 4  16 53 o 28.9485 4.88798 5.2528       2.15698  7.64871      2.19119  28.2209     139.375     13.9627     139.375     
1 1 1 4  16 54 o 13.4552 4.33348 0.109221     1.9673   0.179541     1.98655  2.01312     190.692     5.70365     10.6918     
1 1 1 4  16 55 o 16.3271 4.83347 0.0625354    2.17472  3.00828      2.14898  0.972772    52.0209     0.298412    232.021     
1 1 1 4  16 56 o 12.5092 4.20304 -0.0318111   2.08176  -1.48804     2.38711  1.2525      80.8369     2.06825     260.837     
1 1 1 4  16 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  17 0  f 551.696 2.04261 1658.4       17.3519  1658.4       17.3519  386.293     7.82465e-06 0           0           
1 1 1 4  17 1  o 252.096 2.08274 350.509      7.76845  342.539      8.38232  268.228     0.423061    98.7788     0.423061    
1 1 1 4  17 2  o 119.078 2.14471 72.2234      3.78435  82.6439      4.07855  87.3752     358.509     22.9419     178.509     
1 1 1 4  17 3  o 100.167 2.26734 53.4311      3.48884  56.1416      3.49524  69.8156     242.296     21.8872     62.296      
1 1 1 4  17 4  o 193.812 2.19799 199.901      6.0043   209.867      7.09361  176.726     88.9995     19.3549     88.9995     
1 1 1 4  17 5  o 31.9877 2.82828 6.86643      1.33578  4.59618      1.33755  30.5801     129.037     92.4491     129.037     
1 1 1 4  17 6  o 26.1867 3.74295 4.46797      1.37352  3.32022      1.53231  44.9907     71.2451     114.627     71.2451     
1 1 1 4  17 7  o 87.9808 2.58388 40.8599      3.48299  43.7985      3.50042  65.6673     215.129     5.65417     35.1289     
1 1 1 4  17 8  o 34.3985 3.62734 5.99761      1.85835  7.2588       1.85243  18.4784     326.727     70.8682     326.727     
1 1 1 4  17 9  o 159.672 2.23165 144.307      5.49146  133.914      5.47751  121.553     88.2144     31.3445     268.214     
1 1 1 4  17 10 o 39.6857 3.93894 8.33709      2.46206  9.25568      2.187    1.11669     290.656     29.5652     110.656     
1 1 1 4  17 11 o 94.384  2.50248 44.6963      3.42989  52.8475      3.835    64.4939     45.1639     26.292      225.164     
1 1 1 4  17 12 o 111.532 2.33034 72.8299      3.99974  63.1983      3.98196  103.978     99.2957     22.8299     99.2957     
1 1 1 4  17 13 o 111.464 2.3448  71.2742      4.02381  64.515       4.00965  91.7954     280.412     3.47082     100.412     
1 1 1 4  17 14 o 215.757 2.20795 265.812      7.34966  242.357      7.31175  198.623     186.664     22.6049     186.664     
1 1 1 4  17 15 o 181.419 2.24164 183.575      6.26834  175.606      6.25439  172.562     23.7493     32.3894     23.7493     
1 1 1 4  17 16 o 156.655 2.27802 137.375      5.50835  130.496      5.48021  135.02      168.936     1.36587     168.936     
1 1 1 4  17 17 o 129.273 2.33947 95.61        4.66739  86.984       4.63594  146.878     173.944     79.9163     173.944     
1 1 1 4  17 18 o 49.2115 3.14756 12.1062      2.34508  14.6688      2.35582  18.1767     178.131     29.7582     358.131     
1 1 1 4  17 19 o 117.62  2.37625 74.9311      4.30061  76.2808      4.29815  75.8274     147.016     48.1955     327.016     
1 1 1 4  17 20 o 92.9626 2.72891 46.2859      3.88456  48.3809      3.91051  80.8734     103.752     8.48098     103.752     
1 1 1 4  17 21 o 76.121  2.91524 32.4971      3.41048  31.1229      3.3974   53.4657     120.514     17.858      300.514     
1 1 1 4  17 22 o 147.364 2.5328  118.39       5.74691  119.124      5.74814  105.853     33.8975     41.9934     213.898     
1 1 1 4  17 23 o 36.1785 4.2315  5.86969      2.22413  9.11199      2.27049  13.3285     122.673     15.2903     302.673     
1 1 1 4  17 24 o 35.4994 3.97348 6.81771      2.08174  7.42603      2.11655  7.83414     278.868     30.8348     98.8681     
1 1 1 4  17 25 o 47.2474 2.9729  11.7789      2.20502  12.9428      2.06086  19.8957     131.169     31.8513     311.169     
1 1 1 4  17 26 o 100.387 2.50925 56.8216      4.03758  53.842       3.70773  101.992     136.309     37.0495     136.309     
1 1 1 4  17 27 o 116.452 2.37648 74.5701      4.26075  74.2617      4.25348  138.139     249.338     81.8382     249.338     
1 1 1 4  17 28 o 33.0515 3.94143 6.99374      1.85363  5.51256      1.98471  5.91754     261.366     36.1454     81.3662     
1 1 1 4  17 29 o 22.2175 4.25777 3.1084       1.54677  2.61835      1.44189  0.337804    221.169     21.801      41.1694     
1 1 1 4  17 30 o 16.5824 4.23555 0.428518     1.45971  1.96908      1.43621  2.76526     225.833     16.8215     225.833     
1 1 1 4  17 31 o 51.826  2.89132 14.2021      2.05428  15.7695      2.51791  42.2291     169.442     0.559839    349.442     
1 1 1 4  17 32 o 37.2713 3.23129 9.83318      1.75803  6.10166      1.76993  14.8764     301.893     30.4295     121.893     
1 1 1 4  17 33 o 60.0151 2.46129 20.4642      2.25633  19.5206      2.27196  56.061      356.839     13.02       356.839     
1 1 1 4  17 34 o 61.9675 2.45314 21.6782      2.32928  21.0081      2.33322  62.1423     313.983     22.1319     313.983     
1 1 1 4  17 35 o 18.9147 4.35731 1.47648      1.46542  2.53566      1.49424  3.15302     43.2121     17.1646     223.212     
1 1 1 4  17 36 o 16.1288 4.2745  0.881004     1.4581   1.48443      1.43159  5.28084     187.386     32.1646     187.386     
1 1 1 4  17 37 f 76.9454 2.44954 32.7021      2.88709  33.3567      2.90274  45.3002     300.687     0           0           
1 1 1 4  17 38 o 44.6948 3.07811 9.81895      2.01716  13.102       2.14498  33.957      10.7806     5.74555     190.781     
1 1 1 4  17 39 o 30.6222 4.12862 5.00965      1.76957  6.3577       1.98549  15.2175     116.72      18.2782     296.72      
1 1 1 4  17 40 o 39.2426 3.71848 8.56852      2.17569  9.68492      2.1984   32.523      315.705     2.603       315.705     
1 1 1 4  17 41 o 38.8742 3.37662 8.18996      1.97735  9.54384      1.96657  32.1982     53.8598     2.78583     53.8599     
1 1 1 4  17 42 o 35.6278 3.88332 5.18853      1.91003  10.543       2.08429  22.5287     355.302     11.3583     175.302     
1 1 1 4  17 43 o 37.1907 3.86408 7.59334      2.12942  9.29096      2.14461  28.8638     158.37      1.06849     338.37      
1 1 1 4  17 44 o 42.716  3.69706 12.1727      2.25837  10.093       2.44554  37.0326     209.389     5.5969      209.389     
1 1 1 4  17 45 o 35.3265 3.85343 7.65005      2.02255  7.94636      2.03479  28.2244     268.749     0.294756    268.749     
1 1 1 4  17 46 o 26.9586 4.83422 7.70747      2.28261  2.60136      2.05729  18.1284     339.153     5.23386     159.153     
1 1 1 4  17 47 o 28.668  5.23277 7.67487      2.28331  4.27321      2.61328  24.9889     349.86      7.85044     349.86      
1 1 1 4  17 48 f 27.2595 4.88345 4.68387      2.05206  5.94765      2.07276  17.774      0.965795    0           0           
1 1 1 4  17 49 o 21.72   5.04229 5.17599      2.14597  1.83255      2.04725  13.9503     290.859     4.53519     110.859     
1 1 1 4  17 50 f 15.7004 4.74501 0.0899813    2.06812  2.02504      2.10036  18.4964     343.069     0           0           
1 1 1 4  17 51 o 19.6383 5.12802 3.30103      1.95791  2.68981      2.18946  11.5553     341.013     4.24617     161.013     
1 1 1 4  17 52 o 18.9172 4.91928 4.25064      2.03518  0.916508     2.12317  12.9001     23.4905     2.63115     23.4905     
1 1 1 4  17 53 o 24.9276 5.35354 4.89621      2.14892  5.56972      2.32312  18.5762     117.966     3.57426     117.966     
1 1 1 4  17 54 o 14.5074 4.53037 0.493481     1.97872  1.1828       2.00189  1.24143     184.267     1.88595     4.26661     
1 1 1 4  17 55 o 14.3186 4.51062 1.79381      2.04709  -0.0483846   2.05882  3.38911     32.9486     1.65516     212.949     
1 1 1 4  17 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  18 0  o 204.429 2.00011 227.832      6.2936   227.832      6.2936   217.531     180         76.2634     180         
1 1 1 4  18 1  f 257.634 1.99232 356.059      7.90045  367.847      7.90626  172.202     267.742     0           0           
1 1 1 4  18 2  o 237.81  2.15274 299.137      7.89423  317.912      7.86609  237.354     133.572     62.9513     133.572     
1 1 1 4  18 3  o 90.9031 2.25371 42.9319      3.2433   47.3895      3.03665  73.4635     245.215     1.24737     245.215     
1 1 1 4  18 4  o 245.168 2.01622 319.411      7.60409  336.234      7.61617  226.968     149.815     28.5287     149.815     
1 1 1 4  18 5  o 107.718 2.2269  59.8254      3.82942  66.9754      3.5167   75.9582     308.546     28.1886     128.546     
1 1 1 4  18 6  o 111.179 2.29285 60.486       3.90704  74.8891      3.90076  83.2163     138.546     19.9795     318.546     
1 1 1 4  18 7  o 336.04  2.40046 626.927      12.4357  605.626      12.405   337.361     160.238     89.2209     160.238     
1 1 1 4  18 8  o 73.0449 2.547   26.6617      2.84087  31.8464      2.85484  29.7936     304.898     58.297      124.898     
1 1 1 4  18 9  o 175.613 2.46059 163.422      6.64287  173.296      6.66148  172.588     177.91      44.3715     177.91      
1 1 1 4  18 10 o 33.0152 4.30295 6.26143      2.10715  6.07143      2.10676  2.39557     160.341     26.7904     160.341     
1 1 1 4  18 11 o 147.643 2.27465 124.753      5.17563  113.267      5.15905  139.663     353.761     28.8428     353.761     
1 1 1 4  18 12 o 160.778 2.38241 142.718      5.62726  139.469      6.15107  162.895     151.657     52.532      151.657     
1 1 1 4  18 13 o 78.5072 2.5531  31.9015      3.06117  35.604       3.08961  49.3987     309.93      26.7439     129.93      
1 1 1 4  18 14 o 39.4997 3.49263 9.81577      2.06691  7.60709      2.05784  4.21363     104.283     33.294      284.283     
1 1 1 4  18 15 o 84.6194 2.51547 39.0719      3.27003  39.2846      3.27088  77.206      158.015     21.7277     158.015     
1 1 1 4  18 16 o 154.107 2.29453 141.428      5.45917  118.404      5.40352  110.275     174.05      43.2455     354.05      
1 1 1 4  18 17 o 64.181  3.16404 21.8277      2.76529  23.5123      3.43358  49.2918     162.39      1.27563     162.39      
1 1 1 4  18 18 o 44.0046 3.4832  9.23721      2.27083  12.3844      2.33133  14.6866     67.7918     34.2764     247.792     
1 1 1 4  18 19 o 117.168 2.3882  76.8471      4.30901  73.3652      4.29832  85.7032     166.505     27.7575     346.505     
1 1 1 4  18 20 o 62.7423 3.23483 20.8039      3.19799  22.6419      2.9917   59.4602     318.651     26.4565     318.651     
1 1 1 4  18 21 o 88.534  2.89302 44.3296      4.12963  41.8156      3.73628  66.7502     150.589     13.6293     330.59      
1 1 1 4  18 22 f 105.869 2.66573 64.7084      4.34014  58.3786      4.32933  68.7941     247.133     0           0           
1 1 1 4  18 23 o 90.7243 3.07543 49.2034      4.24831  41.664       4.29226  94.0468     320.772     40.7992     320.772     
1 1 1 4  18 24 o 77.5384 3.0882  32.2044      3.84551  34.206       3.47436  58.2974     34.6507     10.6955     214.651     
1 1 1 4  18 25 o 28.5398 4.71006 4.02415      1.90618  5.49483      2.17039  5.28826     137.265     18.741      317.265     
1 1 1 4  18 26 o 100.069 2.97391 55.8629      4.5005   54.7857      4.64139  94.3927     245.41      21.2102     245.41      
1 1 1 4  18 27 o 51.2159 3.29713 15.123       2.48851  14.1915      2.64408  30.1013     128.114     22.245      308.114     
1 1 1 4  18 28 o 44.7329 3.11022 9.76362      2.12737  12.7242      2.05513  32.9942     265.026     4.42173     85.0257     
1 1 1 4  18 29 o 40.3053 3.29491 7.75441      1.91474  10.6868      2.0778   39.8279     68.6674     20.4232     68.6674     
1 1 1 4  18 30 o 24.2054 4.12957 4.1238       1.46779  2.75978      1.60953  8.59007     70.5747     2.09561     70.5747     
1 1 1 4  18 31 o 33.2337 3.36031 6.7835       1.66946  5.83994      1.66385  20.6919     133.002     9.6907      313.002     
1 1 1 4  18 32 f 23.0595 4.20512 2.79894      1.51714  3.51075      1.50018  17.1378     5.86397     0           0           
1 1 1 4  18 33 o 41.8519 2.97315 8.45971      1.8693   11.4356      1.8701   40.2222     92.7412     15.4283     92.7412     
1 1 1 4  18 34 o 61.9982 2.49151 21.7685      2.37168  21.0926      2.36566  53.4665     173.919     4.56122     173.919     
1 1 1 4  18 35 o 31.1547 3.66275 5.45018      1.68403  5.8882       1.7061   22.7892     163.702     2.27033     343.702     
1 1 1 4  18 36 o 23.6527 4.33847 3.09208      1.5909   3.70009      1.60312  9.84294     337.183     16.4167     157.183     
1 1 1 4  18 37 o 26.0328 4.225   3.93524      1.66892  4.32091      1.64804  15.7124     175         8.27274     355         
1 1 1 4  18 38 o 18.2871 4.54355 1.84466      1.61083  1.91852      1.5606   7.15565     331.025     0.912456    151.025     
1 1 1 4  18 39 o 43.7005 3.25468 10.5866      2.15063  11.6287      2.15968  37.6156     230.617     5.3249      230.617     
1 1 1 4  18 40 o 13.2934 4.13178 0.216815     1.51808  -0.57725     1.78279  0.203425    114.168     7.08983     294.168     
1 1 1 4  18 41 o 28.0769 4.87317 3.39826      2.00053  7.01124      2.29553  23.6879     244.104     10.2187     244.104     
1 1 1 4  18 42 o 47.168  3.47605 14.5903      2.63809  12.0481      2.33979  44.4996     255.766     13.577      255.766     
1 1 1 4  18 43 o 23.8194 4.91268 3.34635      1.9599   4.32703      1.89855  12.9131     21.182      9.43027     201.182     
1 1 1 4  18 44 o 23.649  4.86319 2.52229      1.98194  5.1594       1.95937  20.4915     88.3392     9.90376     88.3392     
1 1 1 4  18 45 o 16.8847 4.84979 1.61225      2.08505  1.3266       1.85703  7.95201     70.1079     4.96601     250.108     
1 1 1 4  18 46 o 17.46   4.88779 2.13694      1.95191  1.43125      1.96897  8.33065     323.907     1.87379     143.907     
1 1 1 4  18 47 o 12.1721 3.96482 -0.162112    1.73499  -1.07237     1.71984  0.961183    340.236     17.3159     340.236     
1 1 1 4  18 48 o 16.4763 4.71968 1.92974      1.87578  1.24581      1.86516  8.77401     218.64      3.59501     218.64      
1 1 1 4  18 49 o 15.8991 4.6427  0.719318     1.89864  2.00526      1.8592   7.54831     74.7896     1.59224     74.7896     
1 1 1 4  18 50 o 19.1696 5.10822 3.79467      2.20147  1.89967      1.97326  11.3637     106.132     3.27663     286.132     
1 1 1 4  18 51 o 12.305  4.11109 -0.704192    2.0267   -1.12375     2.07364  2.61639     175.5       6.5544      355.5       
1 1 1 4  18 52 o 13.943  4.39277 1.51229      1.90605  -1.27591     2.15097  0.438564    24.5938     0.634644    204.594     
1 1 1 4  18 53 f 22.4542 5.28892 4.16626      2.12224  4.5334       2.16256  7.34366     14.5208     0           0           
1 1 1 4  18 54 o 19.3577 5.12187 4.52897      2.13943  2.28163      2.15063  9.45897     38.1248     7.06522     218.125     
1 1 1 4  18 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  19 0  o 8.01458 3.68242 -0.0822294   1.08899  -0.0822294   1.08899  104.422     180         214.804     180         
1 1 1 4  19 1  o 182.315 2.1064  175.178      6.10041  187.544      5.70115  173.653     9.14609     36.1806     9.14609     
1 1 1 4  19 2  o 156.606 1.98582 131.476      4.9318   136.048      4.63528  135.944     76.2777     5.89551     76.2778     
1 1 1 4  19 3  o 202.394 1.89875 230.853      5.92196  216.007      5.90901  224.114     122.044     103.068     122.044     
1 1 1 4  19 4  o 236.59  2.03083 304.862      7.399    305.743      7.39857  215.064     312.223     22.9353     312.223     
1 1 1 4  19 5  f 159.407 2.28686 136.465      5.08493  140.892      6.11021  129.405     234.524     0           0           
1 1 1 4  19 6  o 159.897 2.5062  139.494      5.46092  139.698      6.8073   150.759     195.565     30.5947     195.565     
1 1 1 4  19 7  o 59.2617 3.23931 17.5491      3.18883  21.1911      2.55056  37.9308     133.038     11.2528     133.038     
1 1 1 4  19 8  o 121.763 2.56456 79.2148      4.80799  82.8968      4.79632  62.5585     131.984     80.4709     311.984     
1 1 1 4  19 9  o 178.261 2.47168 167.719      6.7682   179.437      6.79649  178.869     355.186     54.9075     355.186     
1 1 1 4  19 10 o 61.8913 2.84646 19.9047      2.57653  22.1829      2.82151  30.7081     272.767     17.8168     272.767     
1 1 1 4  19 11 o 75.9624 2.58866 30.3015      3.00508  32.9229      3.03014  62.0273     325.359     6.26508     325.359     
1 1 1 4  19 12 o 56.6731 2.90394 18.6111      2.51431  16.7296      2.51395  7.55361     196.372     74.3739     16.3722     
1 1 1 4  19 13 o 41.546  3.72006 8.37276      2.39483  10.955       2.17491  4.21188     276.011     50.5155     96.0111     
1 1 1 4  19 14 o 180.227 2.39926 181.723      6.33325  173.281      6.95182  174.978     308.765     42.3709     308.765     
1 1 1 4  19 15 f 31.4833 4.41097 5.67306      2.15641  5.6306       1.9679   22.5456     266.316     0           0           
1 1 1 4  19 16 o 69.7895 2.94781 28.5073      3.41623  25.1         2.89261  66.1997     270.789     24.1075     270.789     
1 1 1 4  19 17 o 34.4919 4.09768 7.46559      2.13574  6.03752      2.05579  5.99775     89.2375     32.0425     269.238     
1 1 1 4  19 18 o 157.177 2.29897 136.978      5.56003  133.252      5.56769  148.337     93.1006     29.8882     93.1006     
1 1 1 4  19 19 o 58.4339 3.2265  17.8745      2.89044  19.917       2.86102  48.3282     94.7854     10.3963     94.7854     
1 1 1 4  19 20 o 39.6964 3.86646 10.3659      2.17338  7.48322      2.3367   4.99189     179.893     1.23633     179.893     
1 1 1 4  19 21 o 76.3326 2.88354 31.4933      3.3673   32.7375      3.38629  41.217      25.8269     43.2925     205.827     
1 1 1 4  19 22 o 33.9007 4.62078 5.7152       2.43916  7.56907      2.18266  11.282      217.009     1.68478     37.0088     
1 1 1 4  19 23 o 20.9818 5.34594 1.71447      2.11388  2.57102      2.31418  0.855701    70.1976     7.29935     70.1976     
1 1 1 4  19 24 o 52.8748 3.43329 15.8566      2.63051  15.3943      2.88568  43.1561     280.954     4.16891     280.954     
1 1 1 4  19 25 o 25.3539 4.99816 4.69208      1.87686  2.62817      2.33526  7.32422     163.82      8.14283     343.82      
1 1 1 4  19 26 o 51.2501 4.08192 18.5415      3.34665  11.7183      2.92469  46.775      346.951     12.6573     346.951     
1 1 1 4  19 27 o 28.7422 5.62407 5.00091      3.03684  4.87656      2.14835  15.8129     82.6242     8.78934     262.624     
1 1 1 4  19 28 o 22.7172 4.64477 6.01952      2.28848  -1.74827     2.24847  7.55159     190.539     0.235577    10.5393     
1 1 1 4  19 29 o 71.6152 2.46467 29.3978      2.5015   27.4837      2.88675  58.0926     219.329     2.78992     39.3288     
1 1 1 4  19 30 o 71.5584 2.30481 28.6255      2.53644  28.1045      2.52956  66.4297     25.0672     14.5079     25.0672     
1 1 1 4  19 31 o 38.6234 3.0699  9.8923       1.76544  7.13368      1.77352  25.1457     241.209     10.8788     61.2091     
1 1 1 4  19 32 o 31.8688 3.52866 4.9786       1.65592  6.8457       1.66242  23.5293     149.4       0.536356    329.4       
1 1 1 4  19 33 o 44.9483 2.86843 9.94983      1.95053  12.9566      1.94515  35.7102     164.381     1.10137     344.381     
1 1 1 4  19 34 o 24.8469 4.12977 4.99867      1.59673  2.5047       1.58469  12.353      49.2866     12.9128     229.287     
1 1 1 4  19 35 o 27.8319 3.98928 5.39705      1.65231  3.93831      1.64922  22.5538     130.54      3.42625     130.54      
1 1 1 4  19 36 o 57.6407 2.61659 20.6726      2.29878  16.9421      2.30171  56.8251     98.0314     19.7028     98.0314     
1 1 1 4  19 37 o 34.0466 3.80322 7.10628      1.831    6.74201      2.01233  17.9785     15.7768     17.7837     195.777     
1 1 1 4  19 38 o 50.5676 2.86328 12.2384      2.17133  17.2423      2.19651  49.019      344.429     17.1254     344.429     
1 1 1 4  19 39 o 26.34   4.39319 3.14573      1.83405  5.62045      1.7459   11.9621     176.522     15.4628     356.522     
1 1 1 4  19 40 o 56.9143 2.86763 18.7576      2.47569  18.657       2.51747  47.5123     346.398     2.75366     346.398     
1 1 1 4  19 41 o 35.0136 4.20854 8.97254      2.11101  6.53684      2.21169  26.3762     200.292     1.79204     20.2924     
1 1 1 4  19 42 o 43.2732 4.00893 14.8507      2.29861  8.79878      2.59555  47.826      228.116     28.262      228.116     
1 1 1 4  19 43 o 16.1313 4.61805 -0.734645    1.99074  2.39856      1.89937  7.87054     199.621     0.275571    199.621     
1 1 1 4  19 44 o 34.7524 4.52407 6.92594      2.42561  9.18745      2.18589  30.9103     91.4122     8.27132     91.4122     
1 1 1 4  19 45 o 17.3021 4.88688 2.26788      2.03481  1.22897      1.92306  7.81762     243.706     5.62182     63.7059     
1 1 1 4  19 46 o 21.7965 4.92284 4.67901      1.97874  2.28928      1.91499  18.1207     200.588     7.66212     200.588     
1 1 1 4  19 47 f 14.2746 4.39086 0.518515     1.82685  0.729671     1.78073  6.49825     351.185     0           0           
1 1 1 4  19 48 o 29.6135 4.75806 7.13343      2.11071  5.74284      2.1427   25.0769     51.8499     5.50556     51.8498     
1 1 1 4  19 49 o 17.7988 4.95869 2.84429      2.03611  1.75272      1.99803  10.7389     24.4996     0.35977     24.4996     
1 1 1 4  19 50 o 27.4501 5.02404 5.27875      2.14529  6.57239      2.15852  18.2446     38.6279     4.49305     218.628     
1 1 1 4  19 51 o 14.6401 4.58992 0.981098     2.14043  0.628803     1.96994  0.379312    224.73      0.495168    44.7298     
1 1 1 4  19 52 o 12.8731 4.24363 -0.453794    1.93098  -0.121678    2.17717  0.677889    73.2454     7.40933     253.245     
1 1 1 4  19 53 o 11.9642 4.03332 -0.765913    1.96558  -0.821829    2.15264  0.521173    70.5227     0.859143    250.523     
1 1 1 4  19 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  20 0  f 15.4034 5.13969 1.90416      1.37637  1.90416      1.37637  31.9598     180         0           0           
1 1 1 4  20 1  o 41.3339 3.25772 10.0124      1.91345  8.93973      2.13397  6.81324     24.9788     39.5811     204.979     
1 1 1 4  20 2  o 177.046 2.04192 177.376      5.57185  164.811      5.55684  146.18      204.296     8.50785     24.2964     
1 1 1 4  20 3  o 81.6171 2.20451 39.6453      2.8368   33.3216      2.68935  76.1449     141.343     26.0856     141.343     
1 1 1 4  20 4  o 58.7848 2.35269 18.8959      2.12798  18.966       2.11399  20.0238     91.0001     51.3706     271         
1 1 1 4  20 5  o 120.1   2.32735 84.9249      4.28866  72.9543      4.29244  112.175     151.856     24.9062     151.856     
1 1 1 4  20 6  o 55.5676 3.29894 14.5249      2.57616  19.7421      3.01714  34.1714     301.309     12.3878     121.309     
1 1 1 4  20 7  o 47.8673 3.57466 15.4543      2.66529  10.2304      2.46649  3.33316     157.076     66.5553     337.076     
1 1 1 4  20 8  o 205.603 2.77596 224.057      8.77647  238.559      8.79531  185.281     276.129     19.9738     276.129     
1 1 1 4  20 9  o 18.2365 4.86337 2.38581      1.84682  -0.863751    2.29303  3.88134     24.5103     10.9696     24.5103     
1 1 1 4  20 10 o 43.9483 3.49574 11.5076      2.1792   9.98551      2.42852  26.7014     156.844     2.38088     156.844     
1 1 1 4  20 11 o 87.8094 2.80981 38.491       3.76639  46.2872      3.78953  74.1758     301.567     4.54563     301.567     
1 1 1 4  20 12 o 180.98  2.61149 187.779      7.65718  170.906      6.90253  172.311     350.059     37.3484     350.059     
1 1 1 4  20 13 o 29.4541 4.44195 6.38713      1.98915  3.67069      1.94012  0.0323335   229.498     30.9945     49.4965     
1 1 1 4  20 14 o 95.923  2.45722 48.1433      3.6132   52.7503      3.62884  76.8424     338.272     4.71385     158.272     
1 1 1 4  20 15 o 50.1259 3.17085 10.7482      2.33855  17.4891      2.39455  17.4428     328.658     42.1783     148.658     
1 1 1 4  20 16 o 46.3898 3.24779 10.1195      2.24714  13.9378      2.2852   9.68651     174.33      51.3148     354.33      
1 1 1 4  20 17 o 101.468 2.44998 60.5124      3.81682  52.5945      3.81379  84.4296     76.5812     1.00052     76.5809     
1 1 1 4  20 18 o 135.476 2.44916 98.5553      4.8634   102.797      5.34734  119.039     248.565     10.5872     248.565     
1 1 1 4  20 19 o 84.4911 2.68196 41.6815      3.30672  36.9821      3.61757  53.0004     125.87      33.6214     305.87      
1 1 1 4  20 20 o 12.0407 3.90628 -2.24445     1.62023  -0.404352    1.73018  10.1396     177.695     24.4221     177.695     
1 1 1 4  20 21 o 64.3861 3.44738 23.9232      3.38347  22.3122      3.39757  53.2887     21.3107     3.38207     21.3107     
1 1 1 4  20 22 o 83.0221 3.16611 35.7212      4.01854  40.9233      4.03278  76.73       42.0502     16.8157     42.0502     
1 1 1 4  20 23 o 109.043 2.63524 64.2507      4.42113  67.1052      4.41394  85.213      324.719     12.4818     144.719     
1 1 1 4  20 24 o 59.9346 3.20501 22.8743      2.88892  17.4758      2.93073  53.1837     17.2044     8.84799     17.2044     
1 1 1 4  20 25 o 61.5032 3.49576 21.5056      3.2858   21.1043      3.2798   51.6323     129.976     2.62959     129.976     
1 1 1 4  20 26 o 19.8903 5.09018 1.98979      2.23559  1.99257      1.78288  4.35991     89.0583     11.8833     269.058     
1 1 1 4  20 27 o 25.109  5.48438 3.46748      2.41339  4.02664      2.27002  11.27       116.385     10.8609     296.385     
1 1 1 4  20 28 o 54.5062 3.82728 16.9535      3.17697  17.0882      3.16285  49.3059     258.894     10.8447     258.894     
1 1 1 4  20 29 o 114.562 2.55183 74.4409      4.27403  71.5943      4.69712  120.458     54.1793     50.1626     54.1793     
1 1 1 4  20 30 o 56.408  3.17189 17.6596      2.59859  18.367       2.86362  54.578      339.958     18.2453     339.958     
1 1 1 4  20 31 o 23.8156 4.53107 4.22578      1.7368   2.63577      1.71377  14.3705     185.761     2.98784     5.76098     
1 1 1 4  20 32 o 19.9609 4.7241  3.29868      1.84244  1.13945      1.72438  4.8916      19.8014     18.8597     199.801     
1 1 1 4  20 33 o 18.4695 4.34074 1.60464      1.44749  2.29606      1.45945  1.62731     167.06      23.6852     347.06      
1 1 1 4  20 34 o 26.5595 4.08435 3.9714       1.62634  4.60363      1.62089  22.2663     250.481     8.70335     250.481     
1 1 1 4  20 35 o 21.3794 4.37189 1.89872      1.5612   3.7043       1.5811   8.45921     249.489     12.6831     69.4889     
1 1 1 4  20 36 o 50.4337 2.78982 14.9402      2.13774  14.114       2.1587   52.6743     51.1708     25.6392     51.1708     
1 1 1 4  20 37 o 37.1757 3.51374 8.62753      1.90604  7.72961      2.00061  31.4489     268.011     5.78539     268.011     
1 1 1 4  20 38 o 14.5476 4.29427 -0.517985    1.53286  1.4259       1.7706   1.71743     345.444     4.67848     165.444     
1 1 1 4  20 39 o 24.4748 4.52749 5.12185      1.753    2.67499      1.83212  17.5993     264.633     2.05379     264.633     
1 1 1 4  20 40 o 13.1021 4.10062 0.323813     1.66106  -0.515393    1.62886  1.07094     300.864     1.89374     120.864     
1 1 1 4  20 41 o 18.2361 4.60295 3.55929      1.86817  0.107443     1.77445  9.1627      190.184     6.35639     10.1835     
1 1 1 4  20 42 o 43.8873 3.8977  12.7044      2.4362   11.5473      2.67768  40.623      220.231     11.8785     220.231     
1 1 1 4  20 43 o 12.871  4.16894 0.247023     1.76679  -1.93168     2.11339  1.75693     144.209     5.21667     324.209     
1 1 1 4  20 44 o 14.4624 4.61735 0.590734     2.20976  -0.610222    2.19043  4.45585     317.411     1.4867      137.411     
1 1 1 4  20 45 o 38.7572 4.14673 9.69013      2.42423  10.3414      2.36389  31.6497     158.838     2.13958     158.838     
1 1 1 4  20 46 o 17.7523 4.8658  2.19118      1.92724  2.16279      1.87003  11.1942     294.249     3.40022     294.249     
1 1 1 4  20 47 o 23.3034 5.09331 3.68539      2.00335  4.87478      2.05451  16.8167     155.662     0.470958    155.662     
1 1 1 4  20 48 o 23.1491 5.16702 4.79953      2.0627   3.95107      2.08126  18.1297     152.702     4.45513     152.702     
1 1 1 4  20 49 o 15.2373 4.60398 -0.273237    2.10529  2.20378      1.9429   4.82875     179.617     3.23491     359.617     
1 1 1 4  20 50 o 12.5788 4.13346 -0.872117    1.96072  0.0268038    1.91817  0.258811    38.8271     6.1399      38.827      
1 1 1 4  20 51 o 14.7508 4.63169 1.23057      2.21617  0.869036     1.98409  3.38245     125.118     5.66078     305.118     
1 1 1 4  20 52 o 15.0159 4.76347 0.666303     2.28856  1.89694      2.30959  4.76027     301.089     8.74449     121.089     
1 1 1 4  20 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  21 0  o 10.2121 4.33232 0.582941     1.22207  0.582941     1.22207  11.8163     180         25.8083     180         
1 1 1 4  21 1  o 96.5103 2.16023 50.5818      3.12322  51.2932      3.28844  49.3649     313.97      61.812      133.97      
1 1 1 4  21 2  o 163.35  2.06359 145.568      5.19076  145.908      5.19077  152.684     24.6469     30.1745     24.6469     
1 1 1 4  21 3  o 16.9715 3.81747 -0.868833    1.48356  2.81599      1.30945  10.0923     149.746     27.3213     149.746     
1 1 1 4  21 4  o 140.924 2.55214 103.381      6.04918  114.173      4.88842  139.716     335.74      43.8015     335.74      
1 1 1 4  21 5  o 56.4236 3.05874 20.8013      3.13374  14.5972      2.16119  17.5577     145.591     54.1398     325.591     
1 1 1 4  21 6  o 165.522 2.08421 148.135      5.70858  151.25       4.87357  141.146     90.9194     3.22686     90.9194     
1 1 1 4  21 7  o 113.108 2.71588 62.1202      4.74155  78.6924      4.64194  109.384     291.661     32.1807     291.661     
1 1 1 4  21 8  f 89.5045 3.06015 43.2352      4.08238  44.9194      4.32795  92.3353     226.425     0           0           
1 1 1 4  21 9  o 84.3133 2.79951 37.9774      3.6194   40.1648      3.62767  51.7319     249.855     34.4541     69.8547     
1 1 1 4  21 10 o 97.8105 2.73189 54.8977      4.10756  50.2304      4.0997   89.8084     49.6152     20.204      49.6152     
1 1 1 4  21 11 f 27.3537 4.85612 4.39105      2.03015  4.26962      2.05463  60.836      311.657     0           0           
1 1 1 4  21 12 o 88.9169 2.74901 44.0573      3.75817  42.8929      3.75122  94.7677     321.197     49.0312     321.197     
1 1 1 4  21 13 o 39.0065 3.78308 6.73266      2.06868  10.6218      2.30884  13.3022     250.425     26.772      70.4254     
1 1 1 4  21 14 o 118.261 2.49539 77.9695      4.31554  75.6002      4.74471  115.241     111.131     34.7933     111.131     
1 1 1 4  21 15 o 67.7781 2.99181 26.304       2.80698  24.4927      3.35567  52.4182     105.911     2.9508      285.911     
1 1 1 4  21 16 o 55.7273 3.34185 17.7593      2.73241  16.8172      2.93644  53.766      84.8823     32.9348     84.8823     
1 1 1 4  21 17 o 38.5815 3.7072  7.36422      2.0301   9.52977      2.25546  20.9245     10.1418     12.6623     190.142     
1 1 1 4  21 18 o 91.6096 2.61839 46.0961      3.4923   46.4524      3.87101  86.2702     7.74592     21.9829     7.74591     
1 1 1 4  21 19 o 42.6768 3.58111 11.0114      2.17873  9.56013      2.39763  21.0204     243.403     24.2252     63.4025     
1 1 1 4  21 20 o 86.727  3.15213 42.0712      4.19271  41.6264      4.19825  53.7912     129.882     36.506      309.882     
1 1 1 4  21 21 f 35.4924 4.82189 5.05737      2.50373  10.0708      2.54289  42.8009     127.125     0           0           
1 1 1 4  21 22 o 114.662 2.81094 75.2871      4.65678  70.6902      5.21482  111.064     334.484     31.0277     334.484     
1 1 1 4  21 23 o 105.438 3.01229 67.6593      4.8759   56.5372      4.85595  106.947     1.39999     38.8886     1.39999     
1 1 1 4  21 24 o 96.9754 3.52998 46.6417      5.17537  59.7902      5.27809  86.5127     217.605     12.2536     217.605     
1 1 1 4  21 25 o 18.4991 4.78499 1.00172      1.88619  2.22446      1.74866  0.756299    268.679     0.827814    88.679      
1 1 1 4  21 26 o 28.4683 4.91857 2.77965      2.52715  6.89296      2.02087  16.6213     256.459     7.12802     76.4592     
1 1 1 4  21 27 o 23.9471 5.52504 3.48689      2.45473  3.33143      2.22864  9.28654     149.763     13.8443     329.763     
1 1 1 4  21 28 o 43.6283 3.81716 10.6101      2.50636  11.4398      2.50962  26.7393     26.4837     16.219      206.484     
1 1 1 4  21 29 o 32.6841 4.77499 5.64588      2.33067  7.37718      2.31795  25.9455     323.701     2.85462     323.701     
1 1 1 4  21 30 o 35.377  4.42695 4.53057      2.15513  11.111       2.40812  8.11527     133.033     40.636      313.033     
1 1 1 4  21 31 f 26.8888 4.89522 3.79701      1.99778  5.25314      2.10517  25.8976     248.687     0           0           
1 1 1 4  21 32 o 29.836  4.74649 5.49123      2.12192  5.60542      2.13377  13.9741     248.059     18.1159     68.0587     
1 1 1 4  21 33 o 14.4863 4.30719 -0.461327    1.45727  1.24844      1.85035  1.36584     248.438     7.79177     68.4382     
1 1 1 4  21 34 o 80.1763 2.50926 38.5541      3.08412  34.0862      3.08665  74.7397     221.963     18.9459     221.963     
1 1 1 4  21 35 o 22.6266 4.46933 2.75675      1.63079  3.66854      1.62636  10.6433     25.9366     9.61958     205.937     
1 1 1 4  21 36 o 15.4793 4.32067 1.23894      1.53117  0.847909     1.51502  1.40007     270.078     1.56335     90.0785     
1 1 1 4  21 37 f 15.7919 4.42558 -0.437404    1.55126  2.30164      1.85011  9.6728      98.4911     0           0           
1 1 1 4  21 38 o 24.1577 4.4948  2.6834       1.77506  5.00592      1.7334   13.8607     352.835     7.32457     172.835     
1 1 1 4  21 39 o 13.6798 4.14674 -1.2438      1.67711  1.29267      1.65399  1.31616     269.295     14.0549     89.2949     
1 1 1 4  21 40 o 23.666  4.87042 4.18555      1.8958   3.58936      1.87599  19.3563     197.758     6.51351     197.758     
1 1 1 4  21 41 o 25.6069 4.8611  2.91559      1.96321  6.41468      2.13761  21.3269     342.298     7.57207     342.298     
1 1 1 4  21 42 o 16.3626 4.69946 1.44919      1.87144  1.41166      1.83159  1.25125     68.482      0.261482    68.482      
1 1 1 4  21 43 o 17.8347 4.99098 2.79751      2.06581  1.18926      2.09639  11.1229     288.87      3.14516     288.87      
1 1 1 4  21 44 o 15.7179 4.5819  0.0835547    1.85835  2.235        1.88018  5.06864     106.506     11.2957     286.506     
1 1 1 4  21 45 o 25.1213 5.19246 5.25886      2.01203  4.65937      2.30584  21.2577     284.743     7.35604     284.743     
1 1 1 4  21 46 o 15.508  4.67976 -0.553161    2.07287  2.43509      2.09811  5.71162     168.282     7.85979     348.282     
1 1 1 4  21 47 o 19.711  5.023   2.10374      2.00506  4.05046      2.02418  9.64727     266.409     8.11171     86.4089     
1 1 1 4  21 48 o 16.1078 4.74973 1.89654      1.94577  1.39748      1.98173  4.73894     266.168     3.73245     86.1676     
1 1 1 4  21 49 o 15.5811 4.71918 1.10578      2.01713  1.71497      2.03276  3.0759      206.949     7.61683     26.9494     
1 1 1 4  21 50 o 18.2124 5.11007 2.90265      2.1631   3.00356      2.11088  8.32706     228.269     5.28279     48.2692     
1 1 1 4  21 51 o 12.0382 4.00052 0.985165     1.98253  -2.89667     1.97969  2.86481     11.9127     2.53882     191.913     
1 1 1 4  22 0  o 91.0611 2.74668 45.5724      3.83552  45.5724      3.83552  95.6104     360         37.1041     360         
1 1 1 4  22 1  f 67.3478 2.49985 25.5299      2.79234  24.3317      2.36537  45.2745     160.582     0           0           
1 1 1 4  22 2  o 27.9382 3.87295 4.39122      1.73739  4.52711      1.46941  2.28813     336.752     33.1361     336.752     
1 1 1 4  22 3  o 82.9391 2.35522 39.7572      3.13118  35.773       2.87441  75.5868     215.356     19.3452     215.356     
1 1 1 4  22 4  f 116.788 2.29422 77.6441      4.12682  71.9122      4.11297  81.952      144.289     0           0           
1 1 1 4  22 5  o 124.075 2.18715 82.3734      4.31642  86.2436      4.02327  105.069     42.3634     4.76912     42.3634     
1 1 1 4  22 6  o 105.332 2.28719 60.7217      4.09981  60.9344      3.25993  107.243     336.198     43.3194     336.198     
1 1 1 4  22 7  o 135.062 2.35247 110.011      5.29579  90.4757      4.4964   120.1       101.571     15.9903     101.571     
1 1 1 4  22 8  o 51.8725 3.41901 13.6315      2.90444  16.3963      2.3874   27.8628     218.698     23.483      38.698      
1 1 1 4  22 9  o 84.1429 2.84877 41.2311      4.12984  36.8972      3.21445  64.4435     350.029     7.70511     170.029     
1 1 1 4  22 10 o 111.318 3.1476  66.9903      6.04138  69.9528      4.58643  118.096     232.499     54.2014     232.499     
1 1 1 4  22 11 o 184.786 2.97645 178.007      8.96001  198.838      7.84853  195.272     23.916      81.9531     23.916      
1 1 1 4  22 12 o 58.5114 3.25646 17.4408      2.80827  20.7231      3.00968  38.1949     44.0176     16.0458     224.018     
1 1 1 4  22 13 o 71.2933 2.94761 31.8694      3.22317  24.6524      3.18284  75.2662     193.117     39.0115     193.117     
1 1 1 4  22 14 o 58.4493 3.18743 18.9302      2.84876  19.1241      2.84457  49.9311     215.747     8.30375     215.747     
1 1 1 4  22 15 o 85.4593 2.80056 39.3136      3.66509  41.5284      3.68413  82.1184     53.8794     24.847      53.8794     
1 1 1 4  22 16 f 186.154 2.67071 189.327      8.09425  193.279      7.17782  132.349     233.283     0           0           
1 1 1 4  22 17 o 104.853 2.67498 57.2205      4.29003  64.5475      4.32372  97.0438     14.3547     20.4932     14.3547     
1 1 1 4  22 18 f 110.74  2.65166 67.1326      4.51472  68.669       4.5154   84.0209     108.733     0           0           
1 1 1 4  22 19 o 80.6646 3.23421 41.1766      4.00096  31.9477      3.95393  62.3968     276.089     7.90814     96.0892     
1 1 1 4  22 20 o 70.7152 3.37701 26.7353      3.63883  29.5511      3.66639  60.9488     196.21      6.64976     196.21      
1 1 1 4  22 21 o 64.3978 3.05629 23.5093      3.00928  22.9814      3.01676  35.3129     76.641      34.6919     256.641     
1 1 1 4  22 22 o 81.6728 3.20778 34.8815      3.98399  40.215       4.0402   84.9028     112.558     36.7462     112.558     
1 1 1 4  22 23 f 86.179  3.43241 38.3721      4.75501  45.8267      4.21391  82.6514     59.0534     0           0           
1 1 1 4  22 24 o 24.1489 5.01018 5.15605      2.17817  1.77089      2.03944  5.61043     128.583     23.1599     308.583     
1 1 1 4  22 25 o 16.5367 4.68042 2.33769      2.14142  -1.19492     1.76471  1.00817     167.19      2.27281     347.19      
1 1 1 4  22 26 o 69.5499 3.11305 26.6951      3.31303  28.0059      3.31938  55.2788     57.7848     2.81114     237.785     
1 1 1 4  22 27 f 36.7066 4.25959 10.4111      2.39802  5.89583      2.18463  43.91       65.1225     0           0           
1 1 1 4  22 28 f 35.5098 4.61524 5.48651      2.37549  10.0965      2.42972  48.2848     136.266     0           0           
1 1 1 4  22 29 o 49.3827 3.69824 16.3014      2.7445   12.3091      2.73874  31.6406     75.7783     16.2834     255.778     
1 1 1 4  22 30 f 30.4027 4.80414 8.13097      2.16007  3.59646      2.36059  20.8932     28.1539     0           0           
1 1 1 4  22 31 o 14.9893 4.56271 0.783127     1.83379  -0.553038    2.05539  1.80162     321.132     6.52629     141.132     
1 1 1 4  22 32 o 23.8436 4.80659 5.52148      2.049    1.53901      2.01832  10.3984     240.892     12.8893     60.8916     
1 1 1 4  22 33 o 18.5485 5.08249 1.74635      2.15142  1.74005      1.99161  5.12592     143.746     11.5816     323.746     
1 1 1 4  22 34 o 15.5555 4.62673 -0.306951    1.90156  1.37756      1.9499   1.30652     164.85      1.54854     344.85      
1 1 1 4  22 35 o 18.3298 5.07778 0.801478     1.98035  2.68636      2.26034  7.12627     325.049     1.65482     145.049     
1 1 1 4  22 36 o 13.2105 3.97051 -0.400028    1.48167  0.87239      1.4169   1.5191      317.927     6.95575     137.927     
1 1 1 4  22 37 o 27.035  4.3276  4.24713      1.77374  5.31935      1.75377  22.7943     187.679     6.67061     187.679     
1 1 1 4  22 38 o 25.1573 4.97196 4.12726      1.93268  4.72202      2.07021  20.3085     299.351     4.92567     299.351     
1 1 1 4  22 39 o 16.1617 4.32222 -0.832785    1.75406  2.78711      1.66405  4.56901     309.479     0.46104     309.479     
1 1 1 4  22 40 o 17.2643 4.79641 1.62712      1.81488  1.95601      1.91575  3.16087     323.997     0.795861    323.997     
1 1 1 4  22 41 o 17.8594 4.89274 2.2139       1.92992  1.94607      1.90996  9.16131     267.667     5.04254     87.6667     
1 1 1 4  22 42 o 12.6461 4.10962 -1.06278     1.86094  0.0833683    1.83408  4.08651     78.2104     4.82373     258.21      
1 1 1 4  22 43 o 13.7776 4.34922 0.722463     1.99749  -0.121759    1.75575  4.88235     84.457      4.46975     264.457     
1 1 1 4  22 44 o 15.2466 4.56862 1.24544      1.86106  1.08355      1.85504  6.63631     198.377     2.19191     18.3769     
1 1 1 4  22 45 o 23.3349 5.18417 3.67514      2.0988   5.25927      2.12115  18.8449     286.172     6.86436     286.172     
1 1 1 4  22 46 o 15.9333 4.7692  1.48917      1.98276  1.60066      2.05827  1.94022     95.3833     0.00800445  275.383     
1 1 1 4  22 47 o 33.4858 4.85789 10.0118      2.29182  7.07742      2.54072  29.4387     312.012     12.3459     312.012     
1 1 1 4  22 48 o 17.2997 5.0585  1.61007      2.44204  2.87181      2.08307  6.1259      87.5404     6.06941     267.54      
1 1 1 4  22 49 o 18.3566 4.88751 0.745063     2.10575  4.76058      2.11548  6.1168      90.8116     2.81071     90.8116     
1 1 1 4  22 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  23 0  o 97.1513 2.07593 51.6951      3.09921  51.6951      3.09921  96.5536     2.17321e-05 30.3262     2.17321e-05 
1 1 1 4  23 1  o 151.207 2.02096 118.527      4.55165  132.172      4.86091  134.137     247.155     17.6114     247.155     
1 1 1 4  23 2  o 56.5904 2.47708 18.5323      2.08864  16.8201      2.19616  33.0581     304.188     22.9861     124.188     
1 1 1 4  23 3  o 102.049 2.22898 58.1266      3.23747  56.2643      3.73224  109.809     267.352     54.2339     267.352     
1 1 1 4  23 4  o 28.5159 3.7922  5.20637      1.57389  4.14888      1.62564  2.20952     149.466     33.565      329.466     
1 1 1 4  23 5  o 166.494 2.32105 156.161      5.68707  148.36       6.18749  154.706     230.179     33.0292     230.179     
1 1 1 4  23 6  o 57.6392 2.67322 18.0659      2.35324  18.6935      2.3656   29.6738     159.187     32.5307     339.187     
1 1 1 4  23 7  o 77.2133 4.26297 27.8942      2.38185  40.0364      7.11561  64.0716     357.444     3.56577     357.444     
1 1 1 4  23 8  o 25.4163 4.43715 3.15335      1.75115  4.4113       1.72531  7.13271     323.948     9.63769     143.948     
1 1 1 4  23 9  o 32.5242 3.92748 7.63157      1.86167  4.67636      1.87231  8.61221     9.85867     30.5011     189.859     
1 1 1 4  23 10 o 38.9273 3.65785 10.2178      2.26141  7.1198       1.99727  28.4041     161.739     0.332732    161.739     
1 1 1 4  23 11 o 132.6   2.48625 94.7623      5.30609  99.1869      4.81513  113.273     263.085     7.0133      263.085     
1 1 1 4  23 12 o 47.4054 3.5604  10.8277      2.51542  14.7013      2.55167  22.4187     275.065     30.8294     95.0649     
1 1 1 4  23 13 o 59.696  3.19064 20.6415      2.91597  19.2669      2.90404  54.824      225.125     14.4333     225.125     
1 1 1 4  23 14 o 19.6665 5.12777 2.24686      2.25813  1.52369      1.83696  5.54357     122.683     37.4427     122.683     
1 1 1 4  23 15 o 13.9969 4.41259 -0.27968     2.1153   -0.831406    1.71903  2.02987     198.995     10.5757     198.995     
1 1 1 4  23 16 f 48.8767 4.44695 11.4356      3.5114   16.4196      2.63912  30.9157     229.866     0           0           
1 1 1 4  23 17 o 40.3975 4.55783 11.3723      3.08655  7.93497      2.409    24.6406     40.6374     13.3102     220.637     
1 1 1 4  23 18 o 49.8331 4.25432 16.2072      3.40809  12.6798      2.98915  49.2141     40.6907     21.7862     40.6907     
1 1 1 4  23 19 o 55.1129 3.58457 17.5274      2.82829  17.0865      3.16919  51.7954     88.9736     16.6443     88.9736     
1 1 1 4  23 20 o 91.3891 2.9689  47.9483      3.93307  45.7386      4.37406  80.3703     310.695     11.5197     310.695     
1 1 1 4  23 21 o 56.5822 3.70377 17.6416      3.17661  19.07        3.20084  42.9125     212.748     4.71967     32.7479     
1 1 1 4  23 22 o 15.8239 4.74167 1.48991      2.22949  -1.37453     1.94392  2.01069     29.1756     21.456      29.1756     
1 1 1 4  23 23 o 53.3284 3.73875 13.5429      3.07866  19.4764      2.81164  46.0134     22.8313     7.14804     22.8313     
1 1 1 4  23 24 o 19.0825 5.18769 1.90281      2.2812   1.51918      2.0075   1.31249     296.523     0.247262    296.523     
1 1 1 4  23 25 o 62.388  3.50427 19.6711      3.42751  25.2411      3.15287  47.3788     33.226      6.28473     213.226     
1 1 1 4  23 26 o 44.4708 3.69042 12.0562      2.55147  11.0723      2.40751  32.3073     239.105     6.00723     59.1047     
1 1 1 4  23 27 o 34.0523 4.67348 7.93919      2.56452  6.42005      2.1655   14.6178     199.38      23.8013     19.3804     
1 1 1 4  23 28 o 42.373  3.89521 10.165       2.55953  11.2074      2.37844  37.7069     184.683     10.1169     184.683     
1 1 1 4  23 29 o 57.347  3.52543 16.4621      3.02602  22.2237      3.08137  51.2578     255.274     11.5705     255.274     
1 1 1 4  23 30 o 63.9719 3.28492 23.816       3.2147   23.6754      3.21311  56.6474     44.0232     11.3497     44.0232     
1 1 1 4  23 31 o 28.662  5.18504 4.83935      2.15437  5.95442      2.44559  14.9761     124.408     12.0869     304.408     
1 1 1 4  23 32 o 21.3446 5.3406  3.06043      2.02537  2.65928      2.39769  7.17595     310.88      14.6115     130.88      
1 1 1 4  23 33 o 27.1986 5.09104 4.84762      2.16652  5.11461      2.16541  16.0925     203.278     7.28927     23.2778     
1 1 1 4  23 34 o 28.0091 5.09635 4.47863      2.20787  6.28829      2.25529  17.1751     270.387     7.04065     90.3866     
1 1 1 4  23 35 o 27.3311 5.04827 6.70019      2.22316  3.73388      2.20822  19.1125     182.752     2.03245     2.7523      
1 1 1 4  23 36 o 23.0036 5.20111 2.35905      2.17582  5.08742      2.19533  11.9963     297.575     9.41836     117.575     
1 1 1 4  23 37 o 19.2211 5.11049 4.22519      2.31747  -0.284926    2.32245  8.60508     285.645     8.33503     105.645     
1 1 1 4  23 38 o 33.4802 4.54618 8.79202      1.96335  6.39499      2.47025  29.3877     49.7998     9.19743     49.7998     
1 1 1 4  23 39 o 12.4048 4.10446 -0.248196    1.68563  -2.2745      2.36875  2.41591     22.1281     4.08595     202.128     
1 1 1 4  23 40 o 17.1097 4.59608 -0.852985    1.8575   3.70761      2.00622  8.66956     289.113     5.74044     109.113     
1 1 1 4  23 41 o 18.18   4.96284 1.37994      2.12306  3.08466      1.96273  10.2492     113.155     4.46232     113.155     
1 1 1 4  23 42 o 34.7158 4.53225 7.37513      2.14277  9.83192      2.53197  33.5894     94.3361     15.7059     94.3361     
1 1 1 4  23 43 o 13.0295 4.19777 -0.330142    1.91579  0.24312      1.81295  3.2047      177.255     2.73077     357.255     
1 1 1 4  23 44 o 13.3577 4.26029 0.617065     1.86715  -0.205024    1.85996  2.6627      161.143     7.72607     341.143     
1 1 1 4  23 45 o 16.5072 4.71349 0.424756     1.9822   2.91806      1.93894  3.03043     325.328     1.1497      145.328     
1 1 1 4  23 46 o 18.1528 5.02479 2.20158      2.04491  3.05425      2.0607   6.75444     67.4291     4.15349     247.429     
1 1 1 4  23 47 f 16.9753 5.01261 0.914625     2.10437  3.74963      2.38204  10.0647     195.039     0           0           
1 1 1 4  23 48 o 17.2391 5.07538 3.20637      2.15478  1.82666      2.44148  9.23214     194.131     2.84771     14.1306     
1 1 1 4  24 0  o 9.59342 4.27027 0.267589     1.32792  0.267589     1.32792  0.130759    179.996     0.338701    179.996     
1 1 1 4  24 1  o 13.4266 3.83032 1.00062      1.24839  -0.311348    1.29047  1.04694     102.558     4.61893     102.558     
1 1 1 4  24 2  o 67.8385 2.53402 24.9752      2.56953  25.9875      2.7061   57.611      217.279     6.08486     217.279     
1 1 1 4  24 3  o 129.889 2.14655 91.8957      4.29451  93.7031      4.29196  113.299     264.019     12.9898     264.019     
1 1 1 4  24 4  o 109.271 2.02232 67.1496      3.40756  64.1701      3.39131  92.606      163.506     6.06777     163.506     
1 1 1 4  24 5  o 60.8414 2.60674 17.7167      2.36129  23.568       2.47602  48.6648     185.034     0.0197524   185.033     
1 1 1 4  24 6  o 54.9063 2.62369 18.1745      2.05335  15.3803      2.31187  46.8747     150.418     7.07664     150.418     
1 1 1 4  24 7  f 24.7102 4.01202 4.46849      1.71298  2.78562      1.29401  31.4798     203.216     0           0           
1 1 1 4  24 8  o 54.3117 3.41703 14.4519      2.50668  18.9782      3.16124  46.8444     29.5544     8.22183     29.5545     
1 1 1 4  24 9  o 94.8171 2.71216 50.943       3.8771   48.9085      4.02063  83.61       93.1469     12.6941     93.1469     
1 1 1 4  24 10 o 26.1201 4.92859 4.6778       1.83222  3.39281      2.28201  13.4719     299.884     5.7774      119.884     
1 1 1 4  24 11 o 65.5651 3.15873 25.7689      2.75925  22.5251      3.46768  44.1854     263.791     17.3226     83.7912     
1 1 1 4  24 12 o 51.867  3.49377 16.6199      2.74462  13.9567      2.74851  45.0561     130.569     8.99758     130.569     
1 1 1 4  24 13 o 47.5327 3.60604 14.0202      2.58728  11.7999      2.58946  45.4064     144.745     18.4206     144.745     
1 1 1 4  24 14 o 95.9515 2.80264 51.526       4.13541  51.2466      4.12882  84.1074     212.853     12.145      212.853     
1 1 1 4  24 15 o 52.9394 3.64163 14.9738      3.04585  17.0945      2.77212  37.4673     160.853     8.98251     340.853     
1 1 1 4  24 16 o 71.189  3.48813 33.3644      3.81246  24.5374      3.7246   61.6986     203.437     9.04033     203.437     
1 1 1 4  24 17 o 48.3914 4.18283 11.2715      2.99941  16.2206      2.99868  43.5804     169.448     12.3742     169.448     
1 1 1 4  24 18 o 80.9201 2.91973 39.4925      3.63608  34.1607      3.60307  75.7915     311.107     21.1173     311.107     
1 1 1 4  24 19 o 12.678  4.1238  -0.827243    1.75385  -1.5597      1.96316  4.71967     162.352     21.3176     162.352     
1 1 1 4  24 20 o 77.5273 3.32536 33.0822      3.94173  35.3322      3.95768  64.5709     83.0528     3.88255     83.0528     
1 1 1 4  24 21 o 27.2249 5.6887  1.43046      3.55963  6.70434      2.42267  20.8229     310.695     4.15661     310.695     
1 1 1 4  24 22 o 37.8271 5.18775 10.4725      3.20164  7.4438       2.63839  30.6358     300.604     2.96959     300.604     
1 1 1 4  24 23 o 60.4291 3.97707 19.5278      3.98703  23.4432      3.11473  39.0461     91.4719     18.8932     271.472     
1 1 1 4  24 24 o 21.3179 5.76705 2.51136      2.82758  2.38809      2.46015  8.18908     204.997     12.0365     24.9974     
1 1 1 4  24 25 o 28.176  5.40886 6.81187      2.40489  3.43267      2.6509   16.7145     170.233     7.11288     350.233     
1 1 1 4  24 26 o 29.3084 4.80559 3.50502      2.2733   7.49205      2.1265   24.1637     15.9507     13.0294     15.9507     
1 1 1 4  24 27 o 27.0352 4.7827  2.27781      2.23137  7.01671      2.09443  15.3544     91.6521     7.71738     271.652     
1 1 1 4  24 28 o 35.8806 4.53334 7.14919      2.48323  8.90181      2.30962  22.333      84.889      9.7234      264.889     
1 1 1 4  24 29 o 46.283  3.7544  14.3367      2.7647   11.4332      2.4871   44.9557     117.666     19.2925     117.666     
1 1 1 4  24 30 o 15.4472 4.77444 0.123938     2.13514  0.388834     2.17208  2.70679     83.6366     8.27423     263.637     
1 1 1 4  24 31 o 24.363  5.55721 4.347        2.38756  3.95796      2.35997  8.31149     222.736     18.6639     42.7363     
1 1 1 4  24 32 o 63.182  3.2703  22.6011      2.98029  25.0611      3.34047  57.77       32.0854     15.7619     32.0854     
1 1 1 4  24 33 o 22.3361 5.4862  3.18589      2.15863  3.94974      2.45635  13.3749     26.8795     4.36615     206.88      
1 1 1 4  24 34 o 23.8706 5.34979 2.72886      2.37545  5.40787      2.26545  12.543      165.322     9.45094     345.322     
1 1 1 4  24 35 o 28.2416 5.25455 8.56689      2.52197  3.15311      2.56106  20.5463     233.385     0.281146    233.385     
1 1 1 4  24 36 o 28.3041 5.5718  7.68115      2.61215  4.61693      2.57508  19.6735     186.826     1.57559     6.82626     
1 1 1 4  24 37 o 30.2796 5.11755 5.08563      2.41054  8.47774      2.40107  28.8516     91.3069     14.6809     91.3069     
1 1 1 4  24 38 o 15.9747 5.01185 1.1893       2.3973   0.414841     2.5414   6.64361     164.707     2.20869     164.707     
1 1 1 4  24 39 o 18.1488 5.2229  2.88787      2.38606  1.64522      2.22173  9.12068     203.209     5.65808     23.2086     
1 1 1 4  24 40 o 15.789  4.93833 -0.701343    2.46344  2.19473      2.44397  6.69599     179.61      0.494918    359.61      
1 1 1 4  24 41 o 13.7399 4.53465 -1.09766     2.27369  0.292613     2.45227  3.55827     183.644     1.67912     3.64435     
1 1 1 4  24 42 o 15.0874 4.67049 0.844218     2.20597  1.16392      1.94646  4.53139     95.1063     8.49061     275.106     
1 1 1 4  24 43 o 13.339  4.21188 1.5102       1.87809  -1.57786     1.85405  1.0598      235.065     4.28906     55.065      
1 1 1 4  24 44 o 16.6733 4.96108 1.20601      1.96176  2.6949       2.36704  2.60488     72.2298     1.63625     252.23      
1 1 1 4  24 45 o 16.5218 4.84003 3.25302      2.04783  0.167539     2.3704   5.53985     217.752     2.07733     37.7524     
1 1 1 4  24 46 o 14.0788 4.56478 -0.0889561   2.10926  1.47134      2.37077  4.39111     349.236     2.1719      169.236     
1 1 1 4  24 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  25 0  o 18.6838 5.23339 2.68929      1.4506   2.68929      1.4506   6.98738     180         42.8332     180         
1 1 1 4  25 1  o 66.9763 2.33635 25.3685      2.40032  24.3581      2.40318  48.9304     62.6408     9.32713     242.641     
1 1 1 4  25 2  o 35.7388 3.39268 6.45787      1.80915  8.18529      1.80477  17.1381     272.288     19.9777     92.2877     
1 1 1 4  25 3  o 23.0321 4.51353 2.56746      1.81553  3.67383      1.55745  9.81081     87.3462     2.8148      267.346     
1 1 1 4  25 4  o 14.8453 4.25917 1.1847       1.72605  0.0737566    1.32571  4.79889     71.4876     24.0182     71.4876     
1 1 1 4  25 5  o 86.6259 2.30497 41.2219      3.07516  41.889       3.06301  73.6269     196.895     7.58597     196.895     
1 1 1 4  25 6  o 47.863  2.88299 14.254       2.10955  11.5556      2.08223  43.239      255.377     13.2025     255.377     
1 1 1 4  25 7  o 55.4499 2.91323 16.7141      2.38916  17.8254      2.55093  45.0101     240.071     2.78675     240.071     
1 1 1 4  25 8  o 28.8925 4.46075 5.93856      1.94117  4.09409      1.93067  19.8219     141.782     7.88709     141.782     
1 1 1 4  25 9  o 43.7687 3.42046 10.1653      2.25575  11.7308      2.26731  38.9029     240.488     11.8035     240.488     
1 1 1 4  25 10 o 38.5374 3.98346 7.26211      2.36042  10.132       2.11267  29.544      257.852     1.54537     257.852     
1 1 1 4  25 11 f 35.6044 3.9408  8.8946       2.11165  6.03095      2.0247   28.517      220.446     0           0           
1 1 1 4  25 12 o 87.2211 2.65885 40.7895      3.42034  44.2078      3.70652  75.7254     308.311     11.1497     308.311     
1 1 1 4  25 13 o 21.4679 5.04961 3.08836      2.03261  2.25127      1.88525  4.49466     13.6683     19.4977     193.668     
1 1 1 4  25 14 o 39.2402 4.37195 11.6019      2.68287  6.92255      2.37342  20.6086     252.683     19.5697     72.6829     
1 1 1 4  25 15 o 29.2013 5.52936 4.21953      2.58371  6.49048      2.56702  14.1198     328.198     14.8838     148.198     
1 1 1 4  25 16 o 71.1572 3.85802 28.6814      3.88612  29.9278      4.48914  60.7775     98.7747     7.68753     98.7747     
1 1 1 4  25 17 o 54.9565 4.03555 15.3583      2.84352  20.1882      3.89688  40.3433     48.726      6.7027      228.726     
1 1 1 4  25 18 o 17.0568 5.26994 0.495275     1.9957   -0.366204    3.27738  5.94606     82.1225     2.3766      262.123     
1 1 1 4  25 19 f 55.8354 4.44711 21.1353      3.30157  16.2872      3.96717  41.2105     76.4009     0           0           
1 1 1 4  25 20 o 32.8926 5.55324 7.22354      2.92041  6.7576       2.62795  22.2736     321.625     4.46434     141.625     
1 1 1 4  25 21 o 72.7459 3.4613  34.3153      3.84406  27.2384      3.82193  57.584      274.538     0.76641     94.5377     
1 1 1 4  25 22 o 22.4699 4.89166 -0.856565    2.5521   5.56723      2.17542  5.8205      50.1868     19.7579     230.187     
1 1 1 4  25 23 o 52.9001 4.28043 19.5         3.39791  14.503       3.37079  36.1945     10.0764     10.5537     190.076     
1 1 1 4  25 24 o 30.5331 5.40897 5.85653      2.31834  6.38084      2.7603   21.4496     192.91      0.379211    12.9102     
1 1 1 4  25 25 o 37.1985 4.59705 10.3899      2.50664  7.00874      2.51464  20.4715     94.3036     15.6241     274.304     
1 1 1 4  25 26 o 20.1205 5.33021 3.43066      2.19307  0.602541     2.61426  2.97118     233.881     21.0922     53.8814     
1 1 1 4  25 27 o 48.0052 3.67825 15.4867      2.76732  12.3128      2.57219  34.7083     102.913     5.09935     282.913     
1 1 1 4  25 28 o 35.1365 5.43749 7.09453      2.91456  9.87277      2.82907  23.6458     226.793     5.35524     46.793      
1 1 1 4  25 29 o 15.2275 4.82134 0.604236     2.63536  -0.465418    1.96807  3.77248     219.94      3.93575     39.9398     
1 1 1 4  25 30 o 18.0051 5.17621 0.00293235   2.75106  2.56506      2.09359  8.76429     127.817     3.4987      307.817     
1 1 1 4  25 31 o 15.7768 4.93302 0.534063     2.48204  0.31612      2.23411  5.14126     327.795     8.91768     147.795     
1 1 1 4  25 32 o 18.2085 5.2456  0.0964772    2.55711  3.00485      2.35355  8.52822     67.1193     1.53989     67.1193     
1 1 1 4  25 33 o 12.9431 4.29221 -1.71397     2.05788  -0.584487    2.25372  0.548241    138.242     11.2037     318.242     
1 1 1 4  25 34 o 34.1649 5.88878 9.24921      2.96618  8.82704      3.181    23.8968     312.303     3.18554     132.303     
1 1 1 4  25 35 o 32.8635 5.62794 5.43655      2.68805  11.8348      3.16447  20.8688     278.634     7.7797      98.6342     
1 1 1 4  25 36 o 15.4004 4.69903 -0.987638    2.09718  2.2313       2.1863   7.37077     310.378     3.01267     130.378     
1 1 1 4  25 37 o 15.8957 5.00456 0.359198     2.466    1.3743       2.49545  7.08813     302.403     0.307155    302.403     
1 1 1 4  25 38 o 16.9385 5.06792 0.930431     2.43971  2.37989      2.22197  6.72492     334.687     1.79804     334.687     
1 1 1 4  25 39 o 12.6866 4.294   -3.6782      2.55695  -0.108223    2.36617  2.33439     356.64      2.57125     176.64      
1 1 1 4  25 40 o 15.3075 4.92991 0.3173       2.62159  0.995205     2.51156  5.57449     141.767     2.81676     321.767     
1 1 1 4  25 41 o 15.194  4.76204 1.90533      2.26179  -0.234014    2.26638  2.61977     282.135     2.83468     102.135     
1 1 1 4  25 42 o 14.2965 4.60994 1.01404      2.27149  -0.325854    2.25144  0.984483    152.7       5.28691     332.7       
1 1 1 4  25 43 o 19.665  5.22815 0.782965     2.38731  5.72082      2.46407  9.58305     25.3319     1.2399      25.3319     
1 1 1 4  25 44 o 14.4456 4.66978 0.711643     2.27772  1.06053      2.36767  4.20502     42.3674     6.5057      222.367     
1 1 1 4  25 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  26 0  o 6.33478 3.17317 -1.60439     1.28497  -1.60439     1.28497  6.72036     180         15.2445     180         
1 1 1 4  26 1  o 77.7782 2.38336 31.7666      2.9435   35.5772      2.72695  78.1007     53.4008     32.9093     53.4008     
1 1 1 4  26 2  o 53.2899 2.81284 14.8399      2.28886  17.1386      2.28347  47.7338     78.2637     12.7241     78.2637     
1 1 1 4  26 3  o 34.6591 3.39919 6.07115      1.75797  7.81343      1.74301  26.7633     196.028     2.89094     196.028     
1 1 1 4  26 4  o 75.093  2.47161 29.097       2.84188  33.8435      2.84564  54.6257     41.697      10.5644     221.697     
1 1 1 4  26 5  o 20.6269 4.28621 0.947288     1.51377  3.94984      1.64783  0.291791    336.16      29.3448     336.16      
1 1 1 4  26 6  o 37.4542 3.16545 6.94272      1.77273  9.15545      1.77091  20.8803     64.3288     15.6661     244.329     
1 1 1 4  26 7  o 86.6353 2.54323 41.1131      3.45635  42.712       3.30883  83.715      207.691     29.2047     207.691     
1 1 1 4  26 8  o 91.4282 2.77303 47.419       3.98456  46.4079      3.80494  90.3849     298.028     34.7329     298.028     
1 1 1 4  26 9  o 40.3686 4.64545 6.67314      2.86228  13.3122      2.34269  32.1233     315.873     2.69807     315.873     
1 1 1 4  26 10 o 24.1983 5.23191 4.02967      2.33798  3.20605      1.92465  6.71017     232.592     21.8443     52.5918     
1 1 1 4  26 11 o 14.685  4.36564 -2.12        2.11406  1.32644      1.64819  2.64978     317.954     8.81764     137.954     
1 1 1 4  26 12 o 50.4167 3.2539  14.6487      2.5471   14.4793      2.44902  34.8524     206.958     9.78247     26.9584     
1 1 1 4  26 13 o 29.1302 4.46659 3.90437      1.95082  6.57424      1.96914  25.2437     74.0763     10.3832     74.0763     
1 1 1 4  26 14 o 101.052 3.0113  62.5975      5.00819  53.653       4.34891  91.1215     243.443     20.699      243.443     
1 1 1 4  26 15 o 23.9438 5.19086 1.47003      2.52018  5.19987      2.13481  8.11501     313.446     17.9578     133.446     
1 1 1 4  26 16 o 76.5    3.08684 35.6398      3.62806  31.3762      3.60346  62.9715     266.726     4.61593     266.726     
1 1 1 4  26 17 o 67.461  3.77813 27.1375      4.08778  26.3918      3.68964  53.7813     212.432     1.23307     212.432     
1 1 1 4  26 18 o 20.3418 5.36527 2.67094      2.37161  1.99034      2.13899  8.08547     339.949     7.09506     159.949     
1 1 1 4  26 19 o 32.9996 5.54859 6.41982      2.48609  7.93961      3.07466  17.5193     325.288     13.8792     145.288     
1 1 1 4  26 20 o 79.077  3.72226 39.2577      4.17119  34.4496      4.74982  67.8713     48.9528     11.0432     48.9528     
1 1 1 4  26 21 o 15.6219 4.84124 -0.22018     2.033    0.46572      2.40752  1.47992     68.1582     10.3586     248.158     
1 1 1 4  26 22 f 34.3878 6.02992 9.81492      2.97537  6.49852      3.55117  25.5228     130.817     0           0           
1 1 1 4  26 23 o 35.8689 5.73041 12.8903      2.93409  4.90195      3.71142  27.0334     54.9302     1.50389     54.9302     
1 1 1 4  26 24 o 49.3239 4.06459 13.1305      2.82625  16.9232      3.23231  47.3698     9.6213      19.7809     9.6213      
1 1 1 4  26 25 o 27.3324 6.03601 4.7291       2.39404  6.29617      3.24981  13.9605     210.317     11.188      30.3167     
1 1 1 4  26 26 o 50.6415 4.40605 12.9967      2.84857  20.1689      3.90655  37.1992     290.617     3.98974     110.617     
1 1 1 4  26 27 o 19.8733 5.30948 1.8324       2.19334  3.22062      2.29967  11.873      73.4225     1.93377     73.4225     
1 1 1 4  26 28 o 18.6964 4.92682 4.07464      2.19899  -1.01925     2.27744  10.7496     79.4423     3.17508     79.4423     
1 1 1 4  26 29 o 16.7029 4.94909 1.68881      2.1957   0.742604     2.10565  7.12721     21.9955     1.77782     201.996     
1 1 1 4  26 30 o 27.0086 5.29882 3.85081      2.45161  6.84161      2.31661  20.1534     28.6552     2.98061     28.6552     
1 1 1 4  26 31 o 32.9925 5.19282 8.97731      2.71195  6.77584      2.44171  23.441      261.164     1.71906     81.1641     
1 1 1 4  26 32 o 21.471  5.70681 5.0469       2.91207  2.24948      2.24859  13.7272     322.959     0.438072    142.959     
1 1 1 4  26 33 o 22.6594 6.09302 5.00548      2.92844  3.75053      3.00188  16.3379     311.845     2.11778     311.845     
1 1 1 4  26 34 o 13.8453 4.58609 0.415517     2.38209  -2.81904     2.72818  2.46027     189.527     23.6019     189.527     
1 1 1 4  26 35 o 14.0876 4.59596 -2.78488     2.05711  1.87281      2.63393  4.38882     2.42288     5.73616     182.423     
1 1 1 4  26 36 o 18.8851 5.64665 3.40767      2.99844  2.09689      2.65441  10.1576     278.152     2.84164     98.1522     
1 1 1 4  26 37 o 13.6103 4.44775 -1.97179     2.42797  0.868619     2.14319  3.03197     80.6817     1.54047     260.682     
1 1 1 4  26 38 o 19.7949 5.62959 3.54172      2.60724  3.32669      2.6517   10.7679     359.29      3.15614     359.29      
1 1 1 4  26 39 o 15.0003 4.89098 0.262276     2.4767   0.574991     2.76604  0.818057    170.842     1.01303     350.842     
1 1 1 4  26 40 o 14.0254 4.55687 0.912865     2.26167  -0.698413    2.28909  0.565741    7.43939     8.45658     187.439     
1 1 1 4  26 41 o 14.6071 4.83562 0.935401     3.12818  0.0553322    2.25777  1.41059     279.713     12.285      99.7133     
1 1 1 4  26 42 o 22.37   5.71379 4.22529      2.68631  6.21873      2.53694  15.8929     40.5235     5.63687     40.5235     
1 1 1 4  26 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  27 0  o 8.27412 3.98501 -0.79469     1.55953  -0.79469     1.55953  8.56255     180         24.2573     180         
1 1 1 4  27 1  o 32.7772 3.95264 4.25702      1.81076  8.90921      1.95175  22.1694     59.3444     4.60113     239.344     
1 1 1 4  27 2  o 16.9936 4.54781 0.405466     1.63383  2.16671      1.74395  4.23061     156.726     11.5556     336.726     
1 1 1 4  27 3  o 19.0232 4.47325 3.28865      1.72492  0.703708     1.55721  3.87347     95.318      1.03961     95.318      
1 1 1 4  27 4  o 47.9469 3.18045 10.9166      2.27822  15.6827      2.29376  42.6208     158.388     11.4542     158.388     
1 1 1 4  27 5  o 72.9814 2.36217 33.1405      2.6484   26.6615      2.62419  49.0563     216.968     17.3257     36.9682     
1 1 1 4  27 6  o 21.3115 4.64347 3.1354       1.66563  2.38778      1.70628  11.7074     298.651     1.76714     118.65      
1 1 1 4  27 7  o 36.8386 4.08503 10.0359      2.20182  6.39081      2.19405  31.5425     123.777     8.74682     123.777     
1 1 1 4  27 8  o 11.7113 3.82337 -1.88912     1.65445  -0.458526    1.61872  0.312563    136.993     2.62347     136.993     
1 1 1 4  27 9  o 18.8307 4.87536 1.59239      1.81254  2.25509      1.89199  2.89013     167.963     18.4477     347.963     
1 1 1 4  27 10 o 40.1632 3.9365  9.55636      2.35304  9.68222      2.38543  32.0989     321.474     4.00531     321.474     
1 1 1 4  27 11 o 58.7576 3.90238 20.5095      2.86493  20.361       3.97361  54.8543     105.101     19.054      105.101     
1 1 1 4  27 12 o 20.0642 5.1841  3.05435      2.33057  1.59614      1.85791  4.22102     78.23       36.5311     78.23       
1 1 1 4  27 13 o 34.0029 4.86704 8.04113      2.53423  6.58121      2.39024  15.9478     13.1399     18.8545     193.14      
1 1 1 4  27 14 o 56.5237 3.35009 20.1119      2.72252  17.1076      2.99948  51.4785     340.673     16.065      340.673     
1 1 1 4  27 15 o 64.1282 3.93712 24.1078      4.36037  24.824       3.17386  53.5233     321.002     7.47576     321.003     
1 1 1 4  27 16 o 53.1125 5.12769 15.7477      4.58685  19.7726      2.95341  49.5278     315.898     18.5603     315.898     
1 1 1 4  27 17 o 29.8559 5.5895  5.80731      2.71624  6.14905      2.51214  22.3101     22.1072     4.90821     22.1072     
1 1 1 4  27 18 o 21.1037 5.0552  4.87591      2.24593  -0.731742    2.50409  9.8616      243.582     0.0092712   63.5773     
1 1 1 4  27 19 o 15.6491 4.80934 -2.05273     2.24456  1.68649      2.34235  2.00807     321.129     10.5999     141.129     
1 1 1 4  27 20 o 17.382  5.01434 -0.759996    2.3759   2.51751      2.19594  5.24311     210.542     4.77574     30.5419     
1 1 1 4  27 21 o 18.2011 5.49101 1.38804      2.70834  1.06772      2.72469  3.15356     244.222     16.6099     64.2222     
1 1 1 4  27 22 o 19.9002 5.63071 2.54514      2.51403  2.04852      2.73774  9.74363     172.036     3.42474     352.036     
1 1 1 4  27 23 o 31.0924 5.04676 5.99289      2.20367  7.2495       2.53033  22.7855     263.837     0.356399    263.837     
1 1 1 4  27 24 o 18.1883 4.98588 2.96625      1.99154  0.305397     2.31487  9.41471     104.755     1.83822     104.755     
1 1 1 4  27 25 o 30.0897 5.36515 8.03919      2.52555  5.03718      2.55316  24.8055     340.753     6.65738     340.753     
1 1 1 4  27 26 o 17.6481 4.96259 3.50396      2.24686  -1.84176     2.50553  6.16004     202.964     1.33027     202.964     
1 1 1 4  27 27 o 28.7452 5.69851 5.51036      2.48202  7.069        2.77635  19.3872     56.0993     1.94271     236.099     
1 1 1 4  27 28 o 18.9934 5.33864 1.56328      2.27953  3.14018      2.43938  9.16056     251.366     3.99483     71.366      
1 1 1 4  27 29 o 24.4226 5.36006 0.0739355    2.37788  8.99064      3.04735  18.505      173.695     4.56251     173.695     
1 1 1 4  27 30 o 31.3993 5.52481 8.2562       2.65455  6.94898      2.68568  22.1041     96.8787     2.09219     276.879     
1 1 1 4  27 31 o 16.1343 4.92566 -0.0796048   2.19667  2.23104      2.36463  5.10375     122.688     1.75486     122.688     
1 1 1 4  27 32 o 14.7422 4.78251 0.671564     2.45656  -0.677197    2.51243  3.98707     51.4103     0.0752064   231.411     
1 1 1 4  27 33 o 12.8109 4.29615 -1.66491     2.38508  -0.701396    2.19399  2.53316     24.9793     3.39428     204.979     
1 1 1 4  27 34 o 17.9527 5.49724 0.16645      2.60566  4.12984      3.10521  9.44963     171.606     0.169473    171.606     
1 1 1 4  27 35 o 17.4215 5.77845 0.128066     3.29709  3.03681      4.40197  5.93196     80.8524     1.57944     80.8524     
1 1 1 4  27 36 o 13.2484 4.53736 -2.86855     2.13114  0.529311     3.17526  0.955262    28.6454     9.49922     208.645     
1 1 1 4  27 37 o 16.3837 5.23293 1.64948      2.48884  0.811121     3.2446   2.51371     262.223     2.59878     82.2235     
1 1 1 4  27 38 o 14.4603 4.68937 -0.86235     2.21836  1.56642      2.53374  1.39479     90.9115     5.34694     270.911     
1 1 1 4  27 39 o 14.118  4.54321 -1.18897     2.24186  1.89208      2.25264  2.42535     196.893     6.25581     16.8925     
1 1 1 4  27 40 o 15.6068 4.88341 0.806213     2.30161  2.47798      2.37899  5.16065     131.412     7.65728     311.412     
1 1 1 4  27 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  28 0  o 20.0269 5.80962 3.2546       1.76833  3.2546       1.76833  9.34524     180         8.161       360         
1 1 1 4  28 1  f 61.555  3.00788 24.3392      2.68264  19.2892      2.91221  47.6257     85.8674     0           0           
1 1 1 4  28 2  f 21.5905 4.78003 2.20185      1.85264  3.54192      1.75727  8.14364     222.866     0           0           
1 1 1 4  28 3  o 25.6362 4.8771  4.54414      1.97006  3.84987      1.9741   16.6301     118.491     1.87457     118.491     
1 1 1 4  28 4  o 26.2174 4.42803 6.4331       1.81895  2.21094      1.95965  15.8532     196.987     3.09677     16.9871     
1 1 1 4  28 5  o 34.3052 3.71843 7.432        1.90813  6.62716      1.89099  25.7537     341.635     2.19096     341.635     
1 1 1 4  28 6  o 12.4989 4.00242 -0.692717    1.75881  -0.525581    1.55341  0.685135    133.246     5.50583     133.246     
1 1 1 4  28 7  o 14.2572 4.29321 1.43755      1.77232  -2.4333      1.94758  0.340037    139.494     7.66219     319.494     
1 1 1 4  28 8  o 58.3628 3.16146 18.5768      2.82065  20.8674      2.80891  48.5611     28.1608     7.66859     28.1608     
1 1 1 4  28 9  o 32.3661 4.65651 9.39422      2.30142  4.15405      2.21965  26.6274     79.426      9.68516     79.426      
1 1 1 4  28 10 o 13.2865 4.21332 -0.581558    1.75303  -0.247344    1.81866  1.4845      241.372     12.6795     241.372     
1 1 1 4  28 11 o 32.5594 4.99723 8.002        2.5842   5.78255      2.29668  14.8886     154.162     17.9312     334.162     
1 1 1 4  28 12 o 33.6262 5.2167  8.74744      2.61641  6.19137      2.6591   17.437      91.5841     14.4195     271.584     
1 1 1 4  28 13 o 20.351  5.18559 2.64605      2.16223  2.44708      1.992    4.82759     117.241     1.00833     117.241     
1 1 1 4  28 14 o 38.0484 4.38851 10.5943      2.43695  7.673        2.47165  25.9752     93.6281     4.45232     273.628     
1 1 1 4  28 15 o 34.1001 5.1261  9.92964      2.86199  5.80728      2.39409  19.9359     84.3884     10.1974     264.388     
1 1 1 4  28 16 o 20.1572 5.37617 3.35018      2.55116  1.76553      2.01017  9.01209     169.651     0.82745     169.651     
1 1 1 4  28 17 o 24.0426 5.47055 5.69676      2.45634  2.25007      2.44443  16.474      11.0739     5.53803     11.0739     
1 1 1 4  28 18 o 34.3324 5.68825 8.6137       2.95706  8.17648      2.95273  33.3049     0.231886    20.4041     0.231886    
1 1 1 4  28 19 o 22.2954 5.57637 4.32045      2.43766  2.64023      2.42812  13.5348     290.513     1.84422     110.513     
1 1 1 4  28 20 o 34.8299 5.64659 8.8991       3.21793  8.61832      2.71289  21.7955     18.379      8.27863     198.379     
1 1 1 4  28 21 o 28.5834 5.64708 6.66205      2.24451  5.36535      3.13195  17.5379     168.025     6.17531     348.025     
1 1 1 4  28 22 o 34.5334 5.1555  7.54311      2.59069  9.16719      2.72476  23.089      117.094     4.79766     297.094     
1 1 1 4  28 23 o 26.9161 5.50817 3.30985      2.60147  7.54435      2.58152  13.5896     81.3622     11.1497     261.362     
1 1 1 4  28 24 o 14.4926 4.62853 1.10525      2.27899  -1.85921     2.27869  2.74653     62.5658     4.13174     242.566     
1 1 1 4  28 25 o 14.9692 4.69404 1.14273      2.11114  -0.727129    2.30915  3.9632      310.534     2.03072     130.534     
1 1 1 4  28 26 o 15.213  4.80819 0.823011     2.27789  -0.0502565   2.35457  2.15885     302.883     24.7895     302.883     
1 1 1 4  28 27 o 20.4507 5.41907 2.7388       2.15178  3.68996      2.45837  8.62334     211.841     11.2622     31.8408     
1 1 1 4  28 28 o 15.8278 4.87038 0.752174     2.06356  1.3735       2.36687  5.86915     107.57      7.75357     287.57      
1 1 1 4  28 29 o 51.5554 4.2423  18.6985      3.06869  17.3991      3.47334  41.348      239.437     4.79499     239.437     
1 1 1 4  28 30 o 20.5251 5.58394 3.29108      2.48841  3.72721      2.49078  11.2354     134.378     4.04565     314.378     
1 1 1 4  28 31 o 23.2757 5.53094 0.897524     2.75777  7.96054      2.84277  17.1049     151.071     4.74262     151.071     
1 1 1 4  28 32 o 15.2295 4.82447 0.940131     2.31014  0.746256     2.36068  5.01952     1.90095     0.740499    181.901     
1 1 1 4  28 33 o 16.6351 5.01932 2.89111      2.32781  0.222514     2.41154  5.72977     11.1933     6.69977     191.193     
1 1 1 4  28 34 o 12.5944 4.28128 -0.631623    2.51175  -2.42137     2.33147  0.560522    239.073     9.50933     239.073     
1 1 1 4  28 35 o 14.1574 4.63851 1.28029      2.53717  -1.37535     2.30711  0.14978     111.59      0.863021    291.59      
1 1 1 4  28 36 o 13.994  4.74812 0.745789     3.15677  -2.20891     2.66387  0.748131    136.876     1.87594     316.876     
1 1 1 4  28 37 o 19.7633 5.57979 7.52038      3.03924  -1.94751     3.55092  10.3649     20.0772     1.77695     200.077     
1 1 1 4  28 38 o 16.7763 5.32078 4.10263      3.00976  0.231261     2.84757  8.35585     294.247     0.311207    114.247     
1 1 1 4  28 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  29 0  o 14.3917 5.64357 1.81305      1.83859  1.81305      1.83859  1.45274     360         5.47134     180         
1 1 1 4  29 1  f 22.3645 4.35836 6.0071       1.97991  -0.326469    1.94751  16.0403     346.585     0           0           
1 1 1 4  29 2  o 16.3049 4.63506 1.77938      1.77834  0.28464      1.88642  2.87324     46.1925     10.1741     226.193     
1 1 1 4  29 3  o 50.2148 3.32738 16.5102      2.54695  13.3862      2.51472  41.1347     299.958     6.71033     299.958     
1 1 1 4  29 4  o 48.5796 3.10931 14.7219      2.3035   12.9733      2.29008  37.0877     332.548     1.0052      332.548     
1 1 1 4  29 5  o 33.4779 3.95729 6.58461      1.95177  7.26826      1.98251  28.7303     308.991     11.0474     308.991     
1 1 1 4  29 6  o 46.5491 3.46222 11.7945      2.31864  14.1742      2.5714   47.2921     339.516     26.6235     339.516     
1 1 1 4  29 7  o 13.3062 4.24662 0.231439     1.86455  -1.34503     1.89339  3.20839     25.6428     20.5258     25.6428     
1 1 1 4  29 8  o 18.2679 5.1034  0.9266       2.01709  2.58896      2.27747  6.6376      131.203     2.75486     311.203     
1 1 1 4  29 9  o 52.5944 3.46682 16.9335      2.77412  16.2948      2.77559  35.1558     220.494     9.66923     40.4937     
1 1 1 4  29 10 o 25.5057 5.49992 6.2307       2.49525  2.92639      2.45941  16.7299     216.94      0.085685    36.9398     
1 1 1 4  29 11 o 19.6217 5.38019 3.01536      2.32386  1.52595      2.40399  3.4242      325.109     19.4228     145.109     
1 1 1 4  29 12 o 15.5366 4.59747 2.04055      1.97439  -1.26449     2.02613  2.99187     230.27      11.6298     50.2698     
1 1 1 4  29 13 f 31.1207 5.16834 8.10849      2.39621  5.38811      2.53985  16.7196     321.867     0           0           
1 1 1 4  29 14 o 70.705  3.29904 32.3516      3.70475  27.8406      3.43862  50.9065     222.247     6.81553     42.2468     
1 1 1 4  29 15 o 54.7608 3.50994 19.1793      3.0234   17.477       2.83293  42.4834     301.545     1.57032     301.545     
1 1 1 4  29 16 o 26.6399 5.55435 5.80042      2.64804  4.69018      2.22095  20.2207     71.1231     4.38489     71.1231     
1 1 1 4  29 17 o 18.2826 5.48515 1.57577      2.7015   1.70703      2.66616  8.53415     194.9       2.79169     14.8999     
1 1 1 4  29 18 o 27.6604 5.76527 8.56288      2.96281  3.30234      2.66093  13.5462     8.90481     12.2537     188.905     
1 1 1 4  29 19 o 19.3825 5.62908 1.39282      3.03827  3.0064       2.51846  5.9911      242.222     12.6966     62.2222     
1 1 1 4  29 20 o 29.0826 5.65457 7.39375      2.31301  5.55002      3.18931  20.2351     285.734     0.0726293   285.733     
1 1 1 4  29 21 o 13.3675 4.30194 0.865284     1.89589  -3.29113     2.40236  0.776638    231.316     12.9069     51.3157     
1 1 1 4  29 22 o 19.0252 5.31729 1.53371      2.11061  3.50983      2.53078  7.43485     278.303     10.2019     98.3031     
1 1 1 4  29 23 o 19.563  5.10244 3.923        2.12232  1.42017      2.15347  13.3631     301.498     5.00508     301.498     
1 1 1 4  29 24 o 45.3553 3.87212 13.234       2.62461  13.6528      2.67483  32.0205     119.123     4.10646     299.123     
1 1 1 4  29 25 o 25.6559 5.52273 5.62114      2.27855  5.03574      2.51385  20.2115     38.5154     6.03486     38.5154     
1 1 1 4  29 26 o 15.769  4.78575 0.992247     2.07924  1.44322      2.09593  6.05692     180.001     5.37633     0.00146133  
1 1 1 4  29 27 o 18.9553 5.25823 2.68507      2.26473  2.83879      2.21483  10.7731     335.842     2.51247     335.842     
1 1 1 4  29 28 o 14.2347 4.50928 1.3201       2.07308  -0.749713    2.11005  4.05239     87.9408     5.98017     267.941     
1 1 1 4  29 29 o 17.8572 5.1477  0.106649     2.33261  4.11464      2.46558  9.16758     181.5       0.968151    181.5       
1 1 1 4  29 30 o 14.6803 4.62117 2.25951      2.23932  -2.09913     2.33703  3.45153     297.465     5.89522     117.465     
1 1 1 4  29 31 o 13.8396 4.54158 -0.195505    2.23577  -0.00406589  2.39569  0.987009    161.468     6.27916     341.468     
1 1 1 4  29 32 o 21.7638 5.78572 2.8948       2.70423  5.97514      2.77626  4.95101     176.259     1.37834     176.259     
1 1 1 4  29 33 o 16.607  5.23598 1.441        2.84672  2.02472      2.61179  2.16167     76.7382     13.8068     256.738     
1 1 1 4  29 34 o 18.4945 5.6055  3.23048      3.3235   3.54109      2.5364   8.00421     350.241     1.56124     170.241     
1 1 1 4  29 35 o 12.9022 4.49981 0.395873     3.45478  -3.57337     2.4965   2.17892     130.14      7.3511      310.141     
1 1 1 4  29 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  30 0  o 10.0552 4.72339 -0.165816    1.9491   -0.165816    1.9491   0.286172    180         3.93234     180         
1 1 1 4  30 1  o 42.2949 3.92597 12.0243      2.48653  10.464       2.4889   41.9311     147.856     22.1625     147.856     
1 1 1 4  30 2  o 22.7449 4.84852 1.45149      2.13937  5.37872      1.99994  4.95259     57.0155     22.4362     237.015     
1 1 1 4  30 3  f 35.08   4.36694 7.62705      2.19856  8.39658      2.34814  29.3509     158.22      0           0           
1 1 1 4  30 4  o 37.2834 3.921   9.1467       2.18373  8.37875      2.17758  28.9922     151.553     3.09242     151.553     
1 1 1 4  30 5  o 14.4358 4.41908 -0.395274    1.75439  1.1116       1.90901  3.79316     134.084     1.67662     314.084     
1 1 1 4  30 6  f 15.459  4.5229  -2.5075      2.03948  2.57543      2.03629  7.71931     212.924     0           0           
1 1 1 4  30 7  o 23.6161 5.43077 4.09908      2.26107  4.00203      2.26481  16.9        232.64      3.99698     232.64      
1 1 1 4  30 8  o 18.4035 5.1057  1.37658      2.14697  2.6001       2.12969  7.66284     348.475     7.29272     168.475     
1 1 1 4  30 9  o 14.7914 4.73362 0.00160344   2.3411   -0.291573    2.28556  3.22541     41.9187     8.97073     221.919     
1 1 1 4  30 10 o 20.0858 5.53277 2.9794       2.49282  2.42221      2.44185  9.22962     349.869     6.65796     169.869     
1 1 1 4  30 11 o 27.4793 5.35997 4.2211       2.34008  6.87082      2.44642  17.4426     115.744     3.11226     295.744     
1 1 1 4  30 12 o 15.0216 4.68689 0.557022     2.02614  0.185969     2.22414  3.5386      348.703     4.57118     168.703     
1 1 1 4  30 13 o 44.0194 4.55585 10.8353      2.92218  15.1606      2.99078  34.6109     288.711     4.4991      288.711     
1 1 1 4  30 14 o 23.9196 5.54137 4.01943      2.4436   4.70389      2.29514  8.14605     341.604     16.722      161.604     
1 1 1 4  30 15 o 37.1132 4.95723 7.83709      2.81787  11.5694      2.57047  27.9923     304.531     2.22895     304.531     
1 1 1 4  30 16 f 15.7859 4.99428 0.792434     2.7514   0.31264      2.21449  1.50705     14.0905     0           0           
1 1 1 4  30 17 o 14.7009 4.82062 -0.613997    2.71704  -0.278577    2.4962   1.45987     333.177     15.1391     153.177     
1 1 1 4  30 18 o 20.4498 5.84648 2.83698      3.13335  3.53545      2.64988  13.4781     287.441     5.67912     287.441     
1 1 1 4  30 19 o 21.8636 5.89385 4.31027      2.48978  3.54044      3.17829  13.8209     344.281     1.08145     164.281     
1 1 1 4  30 20 o 23.42   5.48128 5.73916      2.28394  2.92164      2.71963  15.5582     7.04471     0.299777    187.045     
1 1 1 4  30 21 o 17.2192 4.92136 2.97488      2.09763  0.498188     2.14722  6.12355     6.43447     9.51446     186.434     
1 1 1 4  30 22 f 24.5691 5.47232 5.20488      2.31207  4.71944      2.31738  19.9724     153.171     0           0           
1 1 1 4  30 23 o 26.8432 5.36227 6.46501      2.31627  5.13564      2.35269  17.7521     121.028     1.49304     301.028     
1 1 1 4  30 24 o 13.0508 4.23723 -1.9171      1.97099  0.938233     2.03589  2.65529     259.741     5.40687     79.7408     
1 1 1 4  30 25 o 16.9331 4.99206 1.39154      2.13146  2.46115      2.21633  6.87839     151.676     5.82925     331.676     
1 1 1 4  30 26 o 19.8604 5.32059 2.94283      2.20221  3.66642      2.27813  7.01765     81.4347     11.8296     261.435     
1 1 1 4  30 27 o 13.9869 4.47863 0.211629     2.01254  0.528445     2.13345  1.12958     229.11      10.4052     49.1095     
1 1 1 4  30 28 o 15.3499 4.92507 0.635215     2.73729  0.924275     2.33076  0.62716     61.1954     1.04596     241.195     
1 1 1 4  30 29 o 23.9881 5.69895 4.12138      2.51624  6.45349      2.57985  12.1868     273.912     4.24475     93.9117     
1 1 1 4  30 30 o 11.9792 4.02498 -4.77635     2.23231  0.735622     2.09557  0.175443    23.3223     3.33259     23.3223     
1 1 1 4  30 31 o 18.2894 5.54536 3.38369      3.33472  3.19267      2.39433  7.18823     185.405     0.125732    5.40538     
1 1 1 4  30 32 o 13.7551 4.70375 1.00666      3.5351   -1.23631     2.24027  3.31442     256.255     4.69902     76.255      
1 1 1 4  30 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  31 0  o 8.53278 4.20877 -1.43728     2.00825  -1.43728     2.00825  1.31133     180         4.53266     180         
1 1 1 4  31 1  o 28.3207 5.23693 5.85118      2.40207  5.90787      2.22099  16.4408     279.997     6.43291     99.9966     
1 1 1 4  31 2  o 11.1125 3.78131 -2.59672     1.97749  -1.5249      1.85682  1.4906      151.942     11.3173     151.942     
1 1 1 4  31 3  o 25.8101 5.05685 2.8125       2.15877  7.02722      2.29989  15.624      277.24      3.59614     97.2402     
1 1 1 4  31 4  o 15.9676 4.53429 2.94191      1.92185  -3.01085     2.34795  2.25194     283.827     14.6831     103.827     
1 1 1 4  31 5  o 21.7585 5.45275 4.19295      2.40488  2.95281      2.18732  11.4949     359.029     4.67548     179.029     
1 1 1 4  31 6  o 17.1507 4.94123 3.21937      2.26016  -0.914818    2.27618  7.0103      317.981     0.780682    137.981     
1 1 1 4  31 7  o 17.5324 5.15873 2.11981      2.34777  1.317        2.26921  7.1212      118.343     0.746434    118.343     
1 1 1 4  31 8  o 15.0749 4.74687 2.24818      2.46191  -3.43381     2.44153  3.78673     346.609     0.818292    166.609     
1 1 1 4  31 9  o 14.4376 4.71311 -0.000352647 2.46193  -0.782488    2.44205  4.15401     327.347     2.24276     147.347     
1 1 1 4  31 10 o 34.3988 5.30224 8.7486       2.61228  8.82559      2.84569  19.6985     169.269     10.5771     349.269     
1 1 1 4  31 11 o 18.2141 5.22999 2.19433      2.25609  2.1706       2.32983  9.79575     44.6103     3.68868     44.6103     
1 1 1 4  31 12 o 16.6778 5.03632 1.35814      2.28855  1.47758      2.28779  3.41383     246.867     15.0993     66.8672     
1 1 1 4  31 13 o 13.8669 4.49237 0.204927     2.16252  -0.633787    2.18423  4.62289     343.234     3.59675     163.234     
1 1 1 4  31 14 o 32.2566 5.4254  9.60402      2.67752  6.59501      2.70466  16.3039     201.269     14.0322     21.2689     
1 1 1 4  31 15 o 37.3169 5.06443 11.219       2.7704   9.32863      2.82676  33.5526     202.323     14.0379     202.323     
1 1 1 4  31 16 o 21.3759 5.46398 7.30615      2.98712  -0.386847    2.41821  11.4127     289.913     5.0347      109.913     
1 1 1 4  31 17 o 17.8048 5.52649 -0.255767    3.53919  3.08369      2.73612  8.58086     105.903     0.627429    285.903     
1 1 1 4  31 18 o 18.4542 5.79072 2.11769      3.24004  2.51137      3.3217   2.24265     79.3716     19.8523     259.372     
1 1 1 4  31 19 o 29.3454 6.14259 5.9315       2.45844  9.81772      3.49563  21.4612     21.7984     2.93657     21.7984     
1 1 1 4  31 20 o 28.6427 5.33911 3.99672      2.47334  9.84436      2.6948   22.3149     327.789     5.97768     327.789     
1 1 1 4  31 21 o 25.8949 5.42451 6.82158      2.36678  4.49887      2.3998   13.5241     244.532     8.59784     64.5316     
1 1 1 4  31 22 o 18.1874 5.16615 2.94949      2.2037   2.16029      2.24266  5.13836     319.003     12.1831     139.003     
1 1 1 4  31 23 o 21.0188 5.35487 2.72394      2.24935  4.84234      2.30579  8.43373     354.058     8.98754     174.058     
1 1 1 4  31 24 o 35.9203 4.80822 10.4757      2.52823  8.8599       2.58456  27.2585     149.232     5.43756     149.232     
1 1 1 4  31 25 o 16.0088 4.85648 1.56785      2.11693  1.54967      2.17422  0.958668    28.0161     1.62352     208.016     
1 1 1 4  31 26 o 17.8056 5.45606 3.04139      2.81605  2.00736      2.71763  3.92149     214.915     10.9081     34.9148     
1 1 1 4  31 27 o 18.2953 5.60608 2.86686      3.73517  3.29315      2.43346  6.7327      311.376     2.08268     131.376     
1 1 1 4  31 28 o 13.03   4.38422 -1.37909     2.93916  0.0721068    2.02183  0.813684    359.873     10.4457     179.873     
1 1 1 4  31 29 o 16.7561 5.28156 1.34292      3.84093  2.72963      2.25602  7.67987     288.723     1.43677     108.723     
1 1 1 4  31 30 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  32 0  o 18.9154 6.75301 3.76666      2.4363   3.76666      2.4363   11.2004     180         4.72468     4.96327e-05 
1 1 1 4  32 1  o 34.6838 4.95686 6.1151       2.64149  11.8198      2.48507  26.1603     261.754     3.0362      261.754     
1 1 1 4  32 2  o 13.2958 4.35445 -1.79191     2.17466  0.436284     2.14135  3.01328     233.39      2.17592     53.39       
1 1 1 4  32 3  o 14.6826 4.61745 -0.327086    2.06669  1.23136      2.17033  4.81947     176.665     5.33142     356.665     
1 1 1 4  32 4  o 14.9724 4.6304  0.873206     2.03239  0.693774     2.02383  5.35672     120.968     1.80982     300.968     
1 1 1 4  32 5  o 20.8817 5.53463 4.79246      2.47871  2.06871      2.57926  3.62345     129.955     21.2658     309.955     
1 1 1 4  32 6  o 18.1436 5.32224 2.48785      2.46066  2.04938      2.42281  8.22637     57.1595     5.16506     237.16      
1 1 1 4  32 7  o 25.0404 6.25494 7.53648      3.19332  4.1777       3.00389  14.1635     52.2687     5.2192      232.269     
1 1 1 4  32 8  o 26.1016 6.04703 6.04129      2.62673  6.12902      3.00676  15.9575     295.103     3.19311     115.103     
1 1 1 4  32 9  o 14.2055 4.61443 -0.107393    2.26382  0.0751238    2.34648  3.70192     62.7452     5.39284     242.745     
1 1 1 4  32 10 o 21.5656 5.59934 1.6502       2.80146  5.79781      2.6006   13.8567     137.401     5.5918      137.401     
1 1 1 4  32 11 o 14.7132 4.72133 -0.0491818   2.3671   0.712219     2.29085  1.24757     24.3102     20.8201     24.3102     
1 1 1 4  32 12 o 16.715  5.00162 3.1183       2.34865  -0.482835    2.4166   5.82045     356.612     7.64336     176.612     
1 1 1 4  32 13 o 22.083  5.99651 5.11975      3.16969  4.07151      2.56503  14.226      170.037     2.69345     170.037     
1 1 1 4  32 14 o 14.7174 4.8199  0.0965718    2.94601  0.214567     2.24219  3.94004     3.58715     6.85938     183.587     
1 1 1 4  32 15 f 14.615  4.72603 -1.10796     2.47937  1.3553       2.40255  8.78422     319.216     0           0           
1 1 1 4  32 16 o 10.988  3.84396 -3.47641     2.66192  -3.08965     2.07516  0.75474     105.833     9.76463     105.833     
1 1 1 4  32 17 o 12.2204 4.29598 -3.08268     3.09874  -5.79073     3.22198  0.0866983   271.988     8.73477     271.988     
1 1 1 4  32 18 o 13.4873 4.58333 -1.16776     2.27516  -1.11926     3.21192  0.761948    88.7683     5.26088     268.768     
1 1 1 4  32 19 o 14.3231 4.58051 -0.609761    2.15312  1.3287       2.2302   0.838277    320.541     4.39277     140.541     
1 1 1 4  32 20 o 11.5402 3.92751 -2.19772     2.05264  -1.04173     2.07196  0.39288     45.2588     1.84201     45.2588     
1 1 1 4  32 21 f 16.9105 4.9242  3.51169      2.2182   -0.037383    2.26177  9.3187      57.6958     0           0           
1 1 1 4  32 22 o 13.5957 4.5211  0.542339     2.65938  -0.91165     2.12261  0.202049    188.903     0.992       8.90348     
1 1 1 4  32 23 o 11.9909 4.14947 -1.28586     2.92454  -2.04304     1.99292  0.143913    3.74015     6.47862     3.74013     
1 1 1 4  32 24 o 16.9003 5.21961 1.82723      3.14394  2.78228      2.24599  6.23334     341.13      4.17364     161.13      
1 1 1 4  32 25 o 14.8094 4.77757 -3.88521     3.88501  2.27108      2.1475   4.30278     213.825     0.863218    33.8252     
1 1 1 4  32 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  33 0  o 17.2395 6.67803 3.39895      2.53972  3.39895      2.53972  3.60777     0.000282585 1.23842     0.000282585 
1 1 1 4  33 1  o 15.5989 4.82014 -0.986228    2.46166  2.44848      2.24337  0.113182    135.77      19.6416     135.77      
1 1 1 4  33 2  o 15.5336 4.86485 -0.327587    2.33517  2.13156      2.38839  4.45861     109.51      7.7826      289.51      
1 1 1 4  33 3  o 16.8171 4.90744 3.45575      2.2467   -0.380707    2.23638  6.11968     211.648     6.73376     31.6479     
1 1 1 4  33 4  o 15.2002 5.2349  1.23555      5.08957  -0.857105    2.05915  4.02954     356.355     1.50222     176.355     
1 1 1 4  33 5  o 15.7165 4.986   1.31265      2.49914  0.718649     2.51555  4.9181      35.0092     6.49823     215.009     
1 1 1 4  33 6  o 16.345  5.31476 1.73074      2.99696  0.079652     3.21272  4.74179     275.078     8.22123     95.0781     
1 1 1 4  33 7  o 17.1077 5.27511 3.12836      2.59371  -0.108674    2.96011  6.38666     76.7363     3.48362     256.736     
1 1 1 4  33 8  o 19.023  5.51133 3.61354      2.57586  2.4038       2.61943  5.87375     95.9584     1.50773     95.9584     
1 1 1 4  33 9  o 16.2397 5.06777 2.93372      2.56258  -0.983744    2.7231   4.1097      314.883     6.80874     134.883     
1 1 1 4  33 10 o 21.9602 5.69834 6.21581      2.7272   2.55135      2.61437  10.9976     46.5847     2.85254     226.585     
1 1 1 4  33 11 f 15.3665 4.8887  1.16078      2.41941  0.634925     2.43829  4.75923     315.959     0           0           
1 1 1 4  33 12 o 11.7333 4.02771 -2.6437      2.24726  -1.50542     2.31589  2.45313     92.784      12.0534     92.784      
1 1 1 4  33 13 o 27.5739 5.63708 3.45974      3.22321  10.184       2.84022  17.0739     155.737     1.21982     155.737     
1 1 1 4  33 14 o 13.8579 4.59111 0.949028     2.55915  -1.84607     2.41488  0.0180788   89.9302     4.30649     269.93      
1 1 1 4  33 15 o 19.3357 5.74842 3.38015      3.47304  3.43414      2.496    6.18973     230.432     3.58216     50.4319     
1 1 1 4  33 16 o 18.907  5.63014 -2.0038      3.56143  6.05855      3.10726  2.83604     262.06      0.00874463  262.06      
1 1 1 4  33 17 o 12.9285 4.49346 -5.53144     2.81036  0.429945     3.21338  0.293782    116.593     2.99688     296.593     
1 1 1 4  33 18 o 19.1229 5.87162 4.07633      3.37003  4.02209      3.0682   7.24606     51.0843     0.543971    51.0844     
1 1 1 4  33 19 o 16.5239 5.27905 2.6728       3.44827  1.84729      2.33276  5.66655     94.0017     2.52915     274.002     
1 1 1 4  33 20 o 16.1742 5.19838 2.64932      3.31485  1.45756      2.32886  5.30486     266.046     7.15286     86.0464     
1 1 1 4  33 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  33 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  34 0  o 10.5452 5.07647 -0.255639    2.52463  -0.255639    2.52463  0.424911    180         1.65125     180         
1 1 1 4  34 1  o 30.9314 5.54048 6.12127      2.85979  10.496       2.69626  23.3878     212.391     11.1833     212.391     
1 1 1 4  34 2  o 16.9085 5.22987 0.649949     2.49072  3.12601      2.74444  2.78679     7.93808     3.3327      187.938     
1 1 1 4  34 3  o 16.9469 5.20611 2.17328      2.33204  1.77046      2.77016  3.0173      159.694     3.49242     339.694     
1 1 1 4  34 4  o 17.6732 5.43351 2.24009      2.76121  2.62227      2.75649  2.47624     70.8356     1.16156     250.836     
1 1 1 4  34 5  o 19.6814 5.94898 5.58184      3.33755  1.81187      3.28401  5.6503      125.579     0.434421    305.579     
1 1 1 4  34 6  o 14.6601 4.88094 -0.561992    2.649    0.742638     3.00535  1.25943     342.297     6.60707     162.297     
1 1 1 4  34 7  f 17.0444 5.28556 3.79725      2.73426  -0.32146     2.96466  13.2314     46.8007     0           0           
1 1 1 4  34 8  o 12.0082 4.1382  -4.03723     2.53379  -0.544495    2.47875  0.125359    230.045     2.82315     230.045     
1 1 1 4  34 9  o 14.357  4.73067 1.55332      2.61347  -1.09503     2.57243  1.79903     48.867      5.0617      228.867     
1 1 1 4  34 10 o 14.4073 4.73363 0.659019     2.53679  0.473708     2.52223  1.6633      53.5398     9.48345     233.54      
1 1 1 4  34 11 o 15.5438 4.98595 1.78567      2.583    1.1799       2.59325  3.69782     199.171     7.15654     19.1711     
1 1 1 4  34 12 o 19.2725 5.56236 8.2188       3.32302  -1.55343     2.7054   7.08534     263.151     8.7934      83.1509     
1 1 1 4  34 13 o 10.5132 3.76028 -4.17379     3.13837  -5.62646     2.34377  0.595091    53.0938     8.20334     53.0938     
1 1 1 4  34 14 o 13.7305 4.7087  -1.55735     3.84305  -0.336609    2.48624  3.67802     212.245     3.89174     32.2448     
1 1 1 4  34 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  34 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  35 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  35 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  35 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  35 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  35 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  35 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 4  35 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  0  1  o 581.337 1.8984  1840.37      16.9935  1840.37      16.9935  559.512     270         16.8853     270         
1 1 1 5  0  2  o 168.985 2.11057 155.648      5.48823  155.648      5.48823  66.1539     180         188.022     1.32369e-05 
1 1 1 5  0  3  o 109.469 2.12869 65.4053      3.5822   65.4053      3.5822   54.3459     89.9999     20.8436     89.9999     
1 1 1 5  0  4  o 274.679 1.83991 410.957      7.78079  410.957      7.78079  200.301     180         119.923     360         
1 1 1 5  0  5  o 104.74  1.86382 59.8536      3.00183  59.8536      3.00183  37.7575     90.0001     11.4227     90.0001     
1 1 1 5  0  6  o 206.118 1.84084 231.462      5.84071  231.462      5.84071  289.486     5.61321e-06 196.152     5.61321e-06 
1 1 1 5  0  7  o 93.5151 1.99678 47.754       2.86949  47.754       2.86949  18.5679     90          1.18868     270         
1 1 1 5  0  8  o 162.494 1.99163 143.921      4.98015  143.921      4.98015  175.725     180         48.6914     180         
1 1 1 5  0  9  o 213.423 1.85314 248.15       6.08822  248.15       6.08822  192.973     270         17.6935     90          
1 1 1 5  0  10 o 37.9315 2.25212 7.99981      1.29334  7.99981      1.29334  59.8276     1.06769e-05 145.107     1.06769e-05 
1 1 1 5  0  11 o 258.744 1.8579  364.659      7.40084  364.659      7.40084  355.85      270         223.313     270         
1 1 1 5  0  12 o 101.428 2.19469 56.1772      3.42057  56.1772      3.42057  59.9041     180         10.9597     1.14139e-05 
1 1 1 5  0  13 o 192.252 2.1325  201.406      6.30969  201.406      6.30969  151.98      270         58.6719     90          
1 1 1 5  0  14 o 370.066 1.86937 745.788      10.6516  745.788      10.6516  389.733     180         81.9126     180         
1 1 1 5  0  15 o 443.917 1.88818 1073.1       12.9062  1073.1       12.9062  380.146     270         75.7471     90          
1 1 1 5  0  16 o 11.0484 4.31685 0.913139     1.07131  0.913139     1.07131  40.0774     1.56695e-05 81.439      1.56695e-05 
1 1 1 5  0  17 o 81.0918 2.29294 35.9786      2.85283  35.9786      2.85283  10.8291     270         4.16051     90.0001     
1 1 1 5  0  18 o 255.433 2.15547 355.429      8.47557  355.429      8.47557  179.509     180         120.636     4.0116e-06  
1 1 1 5  0  19 o 75.7821 2.5757  31.49        2.98985  31.49        2.98985  3.68758     90          13.2863     270         
1 1 1 5  0  20 o 307.633 2.68279 515.624      12.7046  515.624      12.7046  263.651     180         49.0734     360         
1 1 1 5  0  21 o 66.2762 2.5649  24.1357      2.59965  24.1357      2.59965  59.3607     90          210.671     90          
1 1 1 5  0  22 o 42.7024 3.38869 10.3029      2.1563   10.3029      2.1563   96.5453     1.00938e-05 238.693     1.00938e-05 
1 1 1 5  0  23 o 481.79  2.22011 1264.31      16.4696  1264.31      16.4696  445.123     270         8.98352     90          
1 1 1 5  0  24 o 231.37  1.90211 291.644      6.77488  291.644      6.77488  231.272     180         31.3077     180         
1 1 1 5  0  25 o 208.318 1.91303 236.461      6.13442  236.461      6.13442  239.408     270         91.1104     270         
1 1 1 5  0  26 o 288.852 2.02385 454.579      9.00012  454.579      9.00012  331.425     180         126.071     180         
1 1 1 5  0  27 o 32.5289 3.2678  6.10609      1.54158  6.10609      1.54158  4.24699     90.0001     13.9084     90.0001     
1 1 1 5  0  28 o 159.257 1.93596 138.275      4.74455  138.275      4.74455  177.899     180         60.7957     180         
1 1 1 5  0  29 o 35.5167 3.04547 7.17377      1.6005   7.17377      1.6005   10.0868     90          46.5698     90          
1 1 1 5  0  30 o 216.31  1.92094 255.015      6.39628  255.015      6.39628  230.182     180         61.0502     180         
1 1 1 5  0  31 o 154.126 1.95954 129.542      4.64731  129.542      4.64731  192.687     270         101.395     270         
1 1 1 5  0  32 o 34.5257 3.28908 6.84634      1.65947  6.84634      1.65947  7.47834     8.6575e-06  50.694      8.6575e-06  
1 1 1 5  0  33 o 67.4536 2.31039 24.972       2.38694  24.972       2.38694  55.4025     90          11.0488     270         
1 1 1 5  0  34 o 42.1882 2.97408 9.99288      1.88475  9.99288      1.88475  4.12886     180         1.29747     360         
1 1 1 5  0  35 o 121.668 2.05326 80.8093      3.84193  80.8093      3.84193  121.241     270         20.0339     270         
1 1 1 5  0  36 o 325.564 1.93531 577.747      9.70082  577.747      9.70082  382.074     180         170.161     180         
1 1 1 5  0  37 o 184.256 1.97827 185.188      5.61009  185.188      5.61009  203.644     270         71.8424     270         
1 1 1 5  0  38 o 36.3911 3.92041 7.72996      2.04589  7.72996      2.04589  20.8533     180         9.22412     8.65193e-06 
1 1 1 5  0  39 o 162.554 2.27811 144.366      5.6974   144.366      5.6974   146.485     270         1.63574     90          
1 1 1 5  0  40 o 135.119 2.03268 99.7575      4.22503  99.7575      4.22503  118.873     180         6.56381     8.65137e-06 
1 1 1 5  0  41 o 11.3709 5.17765 0.0561844    2.08876  0.0561844    2.08876  4.71402     90.0002     11.2015     90.0002     
1 1 1 5  0  42 o 74.4891 2.47988 30.5572      2.83013  30.5572      2.83013  82.6998     360         31.3695     360         
1 1 1 5  0  43 o 9.67416 4.45547 -0.105217    1.60746  -0.105217    1.60746  2.25638     270         5.74432     270         
1 1 1 5  0  44 o 24.0086 6.00124 4.23501      2.01611  4.23501      2.01611  16.5126     360         0.749088    180         
1 1 1 5  0  45 o 19.3154 5.56082 2.91359      1.62348  2.91359      1.62348  8.48907     270         50.6596     270         
1 1 1 5  0  46 o 13.9206 5.31091 1.58305      1.58195  1.58305      1.58195  0.0740032   8.65159e-06 6.4545      8.65158e-06 
1 1 1 5  0  47 o 51.5683 2.76756 14.9091      2.16787  14.9091      2.16787  58.5968     90          25.622      90          
1 1 1 5  0  48 o 35.0206 3.71564 7.26546      1.87079  7.26546      1.87079  31.2096     2.54811e-10 0.416447    2.54813e-10 
1 1 1 5  0  49 o 66.5615 2.48098 24.6451      2.52671  24.6451      2.52671  77.603      270         37.6784     270         
1 1 1 5  0  50 o 20.0424 5.70527 3.20639      1.7147   3.20639      1.7147   5.9248      360         22.8209     180         
1 1 1 5  0  51 o 42.1219 3.32771 10.2952      2.08946  10.2952      2.08946  52.0609     270         30.2541     270         
1 1 1 5  0  52 o 50.4564 2.9642  14.5046      2.26523  14.5046      2.26523  53.8739     360         19.4535     360         
1 1 1 5  0  53 o 18.4097 5.88753 2.94369      1.79603  2.94369      1.79603  11.8733     270         2.0858      90          
1 1 1 5  0  54 o 9.00735 4.27747 -0.420421    1.67647  -0.420421    1.67647  0.0912291   180         0.520025    180         
1 1 1 5  0  55 o 20.0255 6.30518 3.61163      2.0592   3.61163      2.0592   12.547      270         9.30247     90          
1 1 1 5  0  56 o 36.2394 4.16801 8.23629      2.14135  8.23629      2.14135  33.4797     180         4.35079     180         
1 1 1 5  0  57 o 40.3859 6.15597 11.511       3.35899  11.511       3.35899  38.0505     270         6.56155     270         
1 1 1 5  0  58 o 14.2239 5.88111 1.97167      2.14968  1.97167      2.14968  2.21471     180         19.5589     8.65141e-06 
1 1 1 5  0  59 o 10.9846 5.0464  0.513212     2.04421  0.513212     2.04421  2.37346     270         6.96946     90.0001     
1 1 1 5  0  60 o 10.393  4.85384 0.241213     2.01027  0.241213     2.01027  1.44526     360         6.68101     180         
1 1 1 5  0  61 o 12.5692 5.437   1.44915      2.0051   1.44915      2.0051   1.43381     270         2.07588     90.0001     
1 1 1 5  0  62 o 17.4438 6.23839 3.2543       2.08107  3.2543       2.08107  8.07974     180         0.52597     8.68063e-06 
1 1 1 5  0  63 f 12.1626 5.47048 1.35746      2.24471  1.35746      2.24471  9.7105      270         0           0           
1 1 1 5  0  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  1  0  o 45.3472 2.22137 11.3586      1.53378  11.3586      1.53378  31.0228     90          89.1443     90          
1 1 1 5  1  1  o 231.75  1.95898 270.068      6.47816  315.864      7.51441  195.073     261.951     31.8873     81.9513     
1 1 1 5  1  2  o 448.216 2.01251 1085.1       12.8555  1103.37      14.8684  452.233     248.172     64.9559     248.172     
1 1 1 5  1  3  o 283.934 1.83857 441.47       8.04028  436.69       8.037    193.751     185.647     138.816     5.64655     
1 1 1 5  1  4  o 251.908 1.89975 348.44       7.12557  342.832      7.6012   226.309     85.9038     7.74479     265.904     
1 1 1 5  1  5  o 142.79  1.85678 103.322      4.06771  119.061      4.0834   107.263     12.7976     23.8032     192.798     
1 1 1 5  1  6  o 283.72  1.99843 454.678      8.08688  422.575      9.28177  279.57      313.997     38.5719     313.997     
1 1 1 5  1  7  o 293.664 2.00205 483.456      8.38724  456.265      9.63476  278.054     158.391     15.6959     158.391     
1 1 1 5  1  8  o 258.045 1.99623 366.351      7.35741  359.09       8.45725  138.974     317.223     198.137     137.223     
1 1 1 5  1  9  o 472.088 2.0315  1219.94      13.6925  1208         15.7609  465.215     84.4324     47.5556     84.4324     
1 1 1 5  1  10 o 169.83  1.85669 152.859      4.85257  161.368      4.85607  101.232     302.43      96.8631     122.43      
1 1 1 5  1  11 o 287.756 1.85761 459.114      8.23081  442.858      8.22982  309.219     119.369     94.8368     119.369     
1 1 1 5  1  12 o 128.115 1.86614 88.955       3.67824  89.8137      3.68487  41.9366     203.342     133.433     23.3418     
1 1 1 5  1  13 o 247.851 1.93339 345.091      7.11753  324.128      7.61139  237.906     98.8297     27.298      98.8297     
1 1 1 5  1  14 o 313.646 1.86405 541.671      9.00514  529.742      9.00008  307.025     27.2921     37.0711     27.2921     
1 1 1 5  1  15 o 248.154 1.87118 336.694      7.15299  333.973      7.14763  302.287     51.8785     164.303     51.8785     
1 1 1 5  1  16 f 119.928 2.13012 78.5083      4.07843  78.1967      3.78045  78.4165     146.14      0           0           
1 1 1 5  1  17 o 227.238 2.26043 272.02       8.22494  290.573      7.55145  194.239     359.392     22.6869     179.392     
1 1 1 5  1  18 o 140.908 2.23151 102.879      4.82688  113.519      4.84942  56.7433     82.5585     129.95      262.559     
1 1 1 5  1  19 o 694.047 2.27068 2612.97      24.2743  2634.1       24.2615  601.923     61.7769     91.7104     241.777     
1 1 1 5  1  20 o 405.175 2.39687 903.689      14.9575  884.745      14.9507  443.119     109.401     142.593     109.401     
1 1 1 5  1  21 o 398.6   2.41506 862.735      14.8157  868.204      14.8316  362.311     53.7763     7.59196     233.777     
1 1 1 5  1  22 o 196.588 2.05402 213.36       6.223    207.665      6.2123   182.372     91.6143     26.25       91.6143     
1 1 1 5  1  23 o 157.601 2.06551 132.425      5.01346  138.208      5.01026  150.623     293.394     42.3843     293.394     
1 1 1 5  1  24 o 278.58  2.03202 434.764      8.72208  410.969      8.70719  246.841     166.508     14.7381     346.508     
1 1 1 5  1  25 o 283.891 1.89828 456.798      8.30581  421.683      8.28225  226.508     150.743     67.7643     330.743     
1 1 1 5  1  26 o 209.799 1.91249 240.696      6.18176  238.948      6.17547  251.963     94.2484     129.978     94.2484     
1 1 1 5  1  27 o 163.635 1.93178 152.612      4.8772   139.36       4.85176  121.898     141.976     50.293      321.976     
1 1 1 5  1  28 o 161.223 1.9376  140.018      4.80631  143.305      4.8141   133.927     89.8446     21.5508     269.845     
1 1 1 5  1  29 o 261.128 1.90888 365.237      7.66841  378.101      7.68162  238.755     130.852     0.668527    130.852     
1 1 1 5  1  30 o 111.196 2.00765 69.1178      3.43776  65.7604      3.43309  101.97      194.275     15.8734     194.275     
1 1 1 5  1  31 o 237.082 1.98295 297.988      7.44126  315.012      7.01502  243.905     25.354      58.0138     25.354      
1 1 1 5  1  32 o 153.129 1.96577 129.329      4.6381   126.377      4.63218  117.843     74.5001     39.023      254.5       
1 1 1 5  1  33 o 93.2859 2.11575 45.3729      3.01783  49.7007      3.04942  51.038      76.9356     61.385      256.936     
1 1 1 5  1  34 o 131.814 2.07961 88.665       4.06795  101.073      4.37535  120.038     303.369     6.16623     303.369     
1 1 1 5  1  35 o 189.685 1.96123 195.822      5.72876  196.664      5.72848  180.525     238.948     19.5585     238.948     
1 1 1 5  1  36 o 108.983 2.09841 59.8628      3.50078  70.0607      3.52085  98.6994     351.797     6.6444      351.797     
1 1 1 5  1  37 o 17.9144 4.62843 0.802515     1.73493  1.93228      1.65521  18.7585     329.194     51.0104     329.194     
1 1 1 5  1  38 o 100.964 2.2681  54.861       3.52539  56.6806      3.5174   120.932     319.719     67.9016     319.719     
1 1 1 5  1  39 o 97.1443 2.29647 49.5307      3.4231   53.8774      3.43366  97.3858     113.271     25.7641     113.271     
1 1 1 5  1  40 o 19.8914 4.98859 1.1651       1.70857  2.73818      2.16161  5.27725     117.103     20.4548     117.103     
1 1 1 5  1  41 o 134.013 2.39908 99.4436      5.36721  97.6742      4.49696  137.574     317.609     37.2307     317.609     
1 1 1 5  1  42 o 72.2243 2.8735  27.2095      3.31404  30.5702      3.01674  52.6551     315.904     20.577      135.904     
1 1 1 5  1  43 o 42.769  3.28428 9.62578      2.12775  10.9604      2.11935  42.9466     95.8675     18.3864     95.8675     
1 1 1 5  1  44 o 27.8587 4.4337  4.2597       1.8566   4.90717      1.85793  18.7444     145.385     3.37127     325.385     
1 1 1 5  1  45 o 47.3216 3.10486 13.8331      2.22482  11.434       2.22925  41.895      81.2271     3.57714     81.2271     
1 1 1 5  1  46 o 101.427 2.1545  55.9473      3.34974  57.79        3.37234  97.573      150.185     16.3616     150.185     
1 1 1 5  1  47 o 30.8111 3.90065 5.57296      1.77033  5.57393      1.79506  23.0873     177.428     2.71605     357.428     
1 1 1 5  1  48 o 39.1281 3.30185 9.03693      1.95956  8.54018      1.93996  38.0187     315.771     10.7072     315.771     
1 1 1 5  1  49 o 18.2227 4.62004 1.76477      1.65852  1.8229       1.63465  10.4407     132.213     1.91359     312.213     
1 1 1 5  1  50 o 33.2657 3.79301 6.34801      1.88994  6.83467      1.86058  17.3758     94.3798     20.9578     274.38      
1 1 1 5  1  51 o 19.0544 4.66893 1.60452      1.67051  2.60731      1.70939  6.97049     151.484     12.5594     331.484     
1 1 1 5  1  52 o 19.0308 4.53019 0.370739     1.73084  3.52573      1.75942  9.49096     278.331     3.43901     98.3309     
1 1 1 5  1  53 o 22.1499 4.88397 3.30811      1.83806  3.12382      1.85496  14.563      235.509     2.51535     55.5092     
1 1 1 5  1  54 o 30.1923 4.80361 5.75946      2.08021  6.42685      2.27921  28.5949     145.085     9.571       145.085     
1 1 1 5  1  55 o 16.2076 4.67589 -0.127518    1.86882  2.24106      1.97838  9.35023     337.692     0.0322853   337.693     
1 1 1 5  1  56 o 30.4917 4.88158 6.37045      2.23953  6.54071      2.2378   31.6028     193.046     16.5793     193.046     
1 1 1 5  1  57 o 17.2578 5.05624 1.05973      2.21295  2.1841       2.22229  10.5333     314.58      2.17346     314.58      
1 1 1 5  1  58 o 18.2524 5.22297 1.67127      2.2979   2.79915      2.29722  13.8807     126.017     4.48461     126.017     
1 1 1 5  1  59 o 17.6594 5.05562 3.00819      2.16081  1.06116      2.25265  10.6263     220.953     4.35439     220.953     
1 1 1 5  1  60 o 17.4636 5.04783 1.63564      2.1655   2.70084      2.17563  11.1943     264.85      0.121826    84.8498     
1 1 1 5  1  61 o 15.3792 4.69121 2.35384      2.13424  -0.26087     2.06987  5.70081     269.757     3.14321     89.7569     
1 1 1 5  1  62 o 18.1651 4.96221 3.74574      2.08663  1.30167      2.03677  8.27746     128.026     4.40543     308.026     
1 1 1 5  1  63 o 14.3975 4.59006 0.889232     2.08186  1.04048      2.21903  4.74686     254.164     7.55251     74.1638     
1 1 1 5  1  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  2  0  o 33.7325 2.28788 6.36594      1.16171  6.36594      1.16171  68.8342     270         160.884     270         
1 1 1 5  2  1  o 236.471 1.83222 299.651      6.66695  309.492      6.67557  161.294     7.76906     110.877     187.769     
1 1 1 5  2  2  o 40.4517 2.19781 7.11398      1.28552  11.0356      1.40258  92.6655     208.445     227.634     208.445     
1 1 1 5  2  3  o 494.45  1.94549 1374.67      14.3138  1289.3       15.2555  466.827     257.823     5.79438     257.823     
1 1 1 5  2  4  o 306.944 1.99173 521.617      8.72024  504.836      10.0382  286.486     289.629     5.96828     289.629     
1 1 1 5  2  5  o 213.161 2.10392 251.011      6.03914  244.052      7.65418  144.227     329.504     98.3987     149.504     
1 1 1 5  2  6  o 116.8   1.9936  75.7522      3.3037   72.9368      3.83315  42.062      64.0925     108.103     244.092     
1 1 1 5  2  7  o 266.316 1.8442  395.259      7.56927  377.459      7.55411  228.057     116.85      31.9093     296.85      
1 1 1 5  2  8  o 218.594 2.11752 264.343      6.23573  256.276      7.89562  227.343     149.49      67.7544     149.49      
1 1 1 5  2  9  o 467.435 1.95028 1172.84      14.484   1207.44      13.5614  482.416     17.5445     92.1184     17.5445     
1 1 1 5  2  10 o 159.843 1.93254 147.061      4.59489  131.461      4.88659  105.684     76.3542     64.9562     256.354     
1 1 1 5  2  11 o 530.309 2.04813 1516.16      15.518   1547.18      17.8723  511.02      48.2418     29.7209     48.2417     
1 1 1 5  2  12 o 311.761 1.924   524.138      8.92903  534.484      9.53958  253.579     117.412     68.3422     297.412     
1 1 1 5  2  13 o 406.795 1.8789  910.496      11.7747  891.824      11.7641  402.607     343.7       49.4883     343.7       
1 1 1 5  2  14 o 254.368 1.93121 357.772      7.81172  346.952      7.31547  198.737     33.9484     67.4255     213.948     
1 1 1 5  2  15 o 162.379 1.88186 141.574      4.70351  145.6        4.70685  140.33      169.843     2.23153     169.844     
1 1 1 5  2  16 o 271.604 1.99438 410.15       8.34227  393.374      8.33768  252.233     37.2567     8.0287      37.2567     
1 1 1 5  2  17 o 94.0202 2.50862 49.1383      3.63166  47.2999      3.61853  17.7254     201.761     110.426     21.7605     
1 1 1 5  2  18 o 446.46  2.18855 1059.61      15.033   1111.81      15.0536  384.478     195.966     59.8864     15.966      
1 1 1 5  2  19 o 214.142 2.03144 244.233      6.69915  255.303      6.69588  130.528     207.894     123.071     27.8938     
1 1 1 5  2  20 o 132.639 2.5452  101.083      5.7336   90.8625      4.64345  76.536      350.423     56.3135     170.423     
1 1 1 5  2  21 o 88.259  3.10241 38.8046      4.56874  46.4759      3.67924  38.9616     48.98       210.165     48.98       
1 1 1 5  2  22 o 109.734 2.24663 66.4107      3.64677  64.8941      3.92883  35.8953     159.37      98.7113     339.37      
1 1 1 5  2  23 f 185.111 1.91483 183.242      5.44851  190.084      5.46692  158.261     270.254     0           0           
1 1 1 5  2  24 o 161.279 2.15219 144.143      5.56042  139.307      5.12698  142.24      93.0086     3.62982     93.0086     
1 1 1 5  2  25 o 131.217 2.10197 95.9897      4.24404  91.6689      4.24864  99.9473     351.283     26.6537     171.283     
1 1 1 5  2  26 o 104.152 2.00352 61.3344      3.21133  57.012       3.20624  69.5475     97.6091     49.702      97.6091     
1 1 1 5  2  27 o 125.823 1.96132 87.4211      3.79876  85.1342      3.80096  112.475     66.1894     6.89349     66.1894     
1 1 1 5  2  28 o 122.356 1.98446 81.8065      3.74114  81.3842      3.73689  123.276     23.3562     37.1007     23.3562     
1 1 1 5  2  29 f 258.992 1.90405 364.043      7.5909   367.144      7.59645  211.955     272.774     0           0           
1 1 1 5  2  30 o 62.8709 2.31201 20.6095      2.22097  22.6471      2.23723  17.9177     142.098     4.05202     142.098     
1 1 1 5  2  31 o 165.086 2.01464 144.064      4.93863  153.192      5.30545  160.988     236.665     27.57       236.665     
1 1 1 5  2  32 o 30.5908 3.63195 4.00677      1.62508  6.66291      1.6188   3.97409     358.649     19.5677     358.649     
1 1 1 5  2  33 o 190.153 1.95178 189.858      5.69745  204.606      5.72787  167.99      167.379     7.91211     347.379     
1 1 1 5  2  34 o 68.3267 2.33432 25.999       2.45981  25.0758      2.43753  61.6503     327.415     24.4428     327.415     
1 1 1 5  2  35 o 93.7845 2.15119 48.9904      3.09551  47.1027      3.10847  76.2028     129.626     8.74198     309.626     
1 1 1 5  2  36 o 104.042 2.1196  57.443       3.39033  60.8297      3.3923   95.0729     152.521     8.82352     152.521     
1 1 1 5  2  37 o 170.594 2.11532 158.929      5.55588  158.865      5.55785  183.347     175.836     60.854      175.836     
1 1 1 5  2  38 o 103.966 2.25536 60.9132      3.60881  57.3759      3.60185  89.7144     193.539     3.99511     13.5385     
1 1 1 5  2  39 o 62.1579 2.83809 21.1105      2.72469  21.4475      2.67854  52.354      284.603     2.67998     284.603     
1 1 1 5  2  40 o 62.9562 3.0692  19.4108      2.94992  24.556       2.92776  36.176      287.975     34.795      107.975     
1 1 1 5  2  41 f 95.5507 2.24715 49.1004      3.42271  51.1112      3.16955  54.974      349.197     0           0           
1 1 1 5  2  42 o 17.1075 4.82836 -0.0704511   1.95151  1.62759      1.98458  0.426593    239.339     2.61128     239.339     
1 1 1 5  2  43 o 68.2173 2.76408 24.5321      2.62618  27.1173      3.15271  52.5698     66.5474     14.1784     246.547     
1 1 1 5  2  44 o 39.9191 3.07521 9.46832      1.86806  8.48247      1.84742  43.4464     352.342     30.8459     352.342     
1 1 1 5  2  45 o 42.617  3.29099 9.16924      2.09332  11.4723      2.13516  30.5815     273.804     10.9261     93.8036     
1 1 1 5  2  46 o 63.228  2.59809 23.0418      2.62741  21.5657      2.41033  59.3448     65.2253     9.11877     65.2253     
1 1 1 5  2  47 o 35.3304 3.50487 6.74614      1.83233  7.66721      1.87211  26.7091     305.664     4.81505     125.664     
1 1 1 5  2  48 o 39.3682 3.27386 9.5953       1.9692   8.21249      1.91708  23.1159     159.455     21.0985     339.455     
1 1 1 5  2  49 o 35.8241 3.53331 8.09832      1.87814  6.91489      1.89987  35.7441     294.581     12.3003     294.581     
1 1 1 5  2  50 o 59.2284 2.63603 18.2882      2.37415  21.4801      2.39874  56.3214     319.763     10.7258     319.763     
1 1 1 5  2  51 o 63.0702 2.59875 20.2406      2.4813   24.9627      2.52631  63.7825     229.146     19.3723     229.146     
1 1 1 5  2  52 o 38.5121 3.62452 7.30513      2.04989  10.5071      2.07575  31.2356     321.332     1.43792     141.332     
1 1 1 5  2  53 o 15.9123 4.34212 -0.995751    1.73154  2.47894      1.69857  2.57286     112.243     0.361564    292.243     
1 1 1 5  2  54 o 55.8142 3.00576 18.7698      2.54915  17.9523      2.57661  58.6627     44.5245     22.4608     44.5245     
1 1 1 5  2  55 o 42.0559 3.49661 10.9192      2.21565  10.7773      2.22657  37.4822     193.144     4.13852     193.144     
1 1 1 5  2  56 o 22.6631 5.56484 4.65382      2.41983  2.99913      2.40822  14.6203     67.4379     4.7939      247.438     
1 1 1 5  2  57 o 24.131  5.0905  2.78407      2.38179  5.72782      2.03658  16.6259     271.786     4.67681     91.786      
1 1 1 5  2  58 o 39.3848 4.75967 12.0277      2.78624  9.98109      2.76255  39.79       56.5458     14.5057     56.5458     
1 1 1 5  2  59 o 13.9726 4.49837 0.854919     1.96195  -1.38511     2.49546  5.02187     280.175     7.57313     100.175     
1 1 1 5  2  60 o 13.7611 4.40083 0.50705      1.90509  -0.0203137   2.10461  5.28888     155.43      1.13479     335.43      
1 1 1 5  2  61 o 27.3042 5.22557 8.12009      2.37173  4.26847      2.39357  24.0731     348.184     8.09793     348.184     
1 1 1 5  2  62 o 12.1716 4.04412 -1.38939     1.91489  -0.0467059   1.96987  0.424742    234.383     5.07208     54.3831     
1 1 1 5  2  63 o 12.7419 4.19064 -0.325972    1.97826  0.258637     2.00597  3.16198     231.135     6.43309     51.1354     
1 1 1 5  2  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  3  0  o 114.39  2.1527  71.4114      3.78587  71.4114      3.78587  92.4052     90          20.0957     90          
1 1 1 5  3  1  o 427.768 1.98984 1005.78      13.1113  987.724      13.1027  440.517     209.517     82.7315     209.517     
1 1 1 5  3  2  o 401.697 1.85629 886.347      11.4855  871.456      11.4788  373.93      74.5138     1.5427      254.514     
1 1 1 5  3  3  o 398.147 1.85699 879.517      11.3912  847.487      11.3766  474.78      207.573     211.593     207.573     
1 1 1 5  3  4  o 176.967 1.8421  168.64       5.01798  172.529      5.02136  46.2667     233.279     227.287     53.2791     
1 1 1 5  3  5  o 74.7697 1.9126  27.9029      2.18987  33.1948      2.19485  46.2342     221.114     204.77      221.114     
1 1 1 5  3  6  o 132.504 1.86494 88.5505      3.79263  102.984      3.80236  76.4286     51.5682     46.0342     51.5682     
1 1 1 5  3  7  o 151.435 1.93859 111.024      4.62189  139.614      4.33826  107.434     81.5566     42.4596     261.557     
1 1 1 5  3  8  f 306.047 1.84978 524.165      8.7206   496.303      8.71002  270.109     105.257     0           0           
1 1 1 5  3  9  o 138.786 1.93231 99.8153      3.97942  110.123      4.28172  91.5698     32.6144     46.2879     212.614     
1 1 1 5  3  10 o 203.287 1.99609 214.541      5.77672  235.845      6.71891  229.109     83.6757     112.36      83.6757     
1 1 1 5  3  11 o 233.606 1.9255  289.894      6.68245  304.573      7.17095  224.623     98.3414     30.0475     98.3414     
1 1 1 5  3  12 o 196.113 1.93926 221.698      5.65969  197.533      6.01281  197.448     299.373     53.6932     299.373     
1 1 1 5  3  13 o 391.835 1.87334 825.791      11.2984  846.412      11.3072  379.058     338.824     31.3301     338.824     
1 1 1 5  3  14 o 376.029 1.94099 787.019      10.8741  753.136      11.5738  336.997     240.149     23.2394     60.1494     
1 1 1 5  3  15 o 424.804 2.08925 962.643      13.1417  1003.03      14.1892  452.012     33.8364     116.018     33.8364     
1 1 1 5  3  16 o 427.658 2.28759 1015.08      14.3776  977.198      15.6942  424.971     313.907     55.9688     313.907     
1 1 1 5  3  17 o 191.096 2.18034 191.922      6.40732  205.954      6.41909  153.464     341.719     30.9823     161.719     
1 1 1 5  3  18 o 186.484 2.42075 188.198      6.94306  190.631      6.9599   132.291     17.4903     63.4786     197.49      
1 1 1 5  3  19 o 218.861 2.39526 264.044      8.07793  257.776      8.06643  193.05      245.413     0.119033    245.419     
1 1 1 5  3  20 o 265.593 2.03519 375.738      8.31069  392.715      8.33397  276.086     1.3367      80.9483     1.3367      
1 1 1 5  3  21 o 324.257 2.01755 581.068      10.081   564.328      10.0656  407.059     292.387     236.042     292.387     
1 1 1 5  3  22 o 180.55  2.21755 173.8        6.16453  181.403      6.16413  190.82      303.759     83.1767     303.759     
1 1 1 5  3  23 o 302.422 2.02952 504.46       9.45709  492.028      9.44479  248.041     322.499     56.9836     142.499     
1 1 1 5  3  24 o 337.259 1.96103 628.641      10.5257  610.729      9.83987  361.936     319.898     105.742     319.898     
1 1 1 5  3  25 o 277.205 2.23082 414.125      10.2534  423.424      8.7109   244.911     5.31296     17.2492     185.313     
1 1 1 5  3  26 o 155.192 2.15155 132.394      5.32367  130.137      4.95611  87.2623     275.979     104.017     95.979      
1 1 1 5  3  27 o 180.99  1.92888 176.065      5.37413  180.977      5.37693  171.433     221.878     17.3373     221.878     
1 1 1 5  3  28 o 34.367  3.05023 5.53191      1.54403  7.65149      1.58072  5.29468     202.856     23.0594     202.856     
1 1 1 5  3  29 o 92.3682 2.06071 47.1316      2.93574  45.9885      2.91894  73.1427     95.1354     4.83508     275.135     
1 1 1 5  3  30 o 180.896 1.93449 173.154      5.37694  183.69       5.39757  179.83      196.068     36.3667     196.068     
1 1 1 5  3  31 o 182.806 1.94292 177.94       5.46535  186.489      5.47121  138.706     306.977     52.4712     126.977     
1 1 1 5  3  32 o 225.13  1.92692 269.883      6.67386  282.869      6.68389  190.265     164.488     28.2274     344.488     
1 1 1 5  3  33 o 183.143 1.95907 177.749      5.50962  188.126      5.53774  171.871     328.006     13.6234     328.006     
1 1 1 5  3  34 o 145.243 1.99456 116.002      4.46549  114.102      4.45632  135.118     272.103     11.5773     272.103     
1 1 1 5  3  35 o 147.035 2.01036 111.126      4.53517  124.95       4.55798  124.532     223.137     13.1682     43.1368     
1 1 1 5  3  36 o 296.9   1.94252 476.08       8.87583  485.78       8.88572  317.499     260.423     97.4381     260.423     
1 1 1 5  3  37 f 37.2171 3.6281  6.52744      2.0144   9.0705       1.976    37.3998     0.897772    0           0           
1 1 1 5  3  38 o 73.5808 2.51508 29.7495      2.85149  29.6371      2.83112  62.7121     263.065     0.0949097   263.065     
1 1 1 5  3  39 o 55.6805 3.07822 18.0174      2.63077  16.2759      2.60174  35.0622     341.403     21.2595     161.403     
1 1 1 5  3  40 o 92.8083 2.48262 43.6146      3.51859  51.1328      3.54974  97.5302     303         34.6123     303         
1 1 1 5  3  41 o 77.2387 2.45174 30.3677      2.89038  35.3672      2.91556  71.5577     215.71      9.79943     215.71      
1 1 1 5  3  42 o 58.2699 2.72212 18.0547      2.42093  19.5634      2.43407  53.834      146.206     9.12978     146.206     
1 1 1 5  3  43 o 42.9814 3.4594  10.1992      2.24377  10.6666      2.25326  30.7258     194.365     10.9305     14.3653     
1 1 1 5  3  44 o 25.3589 4.52004 3.49654      1.75873  4.1329       1.77575  11.8176     261.059     14.2117     81.0589     
1 1 1 5  3  45 o 49.0201 2.78036 12.5421      2.06908  14.3809      2.08603  41.537      56.8721     0.512388    236.872     
1 1 1 5  3  46 o 21.1978 4.8328  2.49985      1.80148  2.71325      1.78896  2.75561     167.091     26.1823     347.091     
1 1 1 5  3  47 o 34.8212 3.77273 6.68422      2.03677  7.44632      1.85925  24.9421     149.03      7.67282     329.03      
1 1 1 5  3  48 o 19.2822 4.35046 3.44844      1.61563  0.467857     1.62734  11.8732     245.908     0.0170241   65.9075     
1 1 1 5  3  49 o 57.0266 2.68538 16.6588      2.33166  20.1608      2.34031  54.4557     87.4606     10.4771     87.4606     
1 1 1 5  3  50 o 16.4648 4.34914 2.40319      1.64037  -0.23548     1.5944   1.84142     276.599     18.8249     96.5986     
1 1 1 5  3  51 o 36.6167 3.71192 9.9252       1.9965   6.22724      1.97342  32.7856     215.526     5.70457     215.526     
1 1 1 5  3  52 o 18.0922 4.54351 -0.10858     1.87321  3.12057      1.72024  8.13078     217.988     2.32029     37.9875     
1 1 1 5  3  53 o 15.2448 4.4711  1.29635      1.74849  0.187903     1.74191  4.68304     276.061     5.44348     96.0609     
1 1 1 5  3  54 o 18.7673 4.86524 1.45237      1.8444   2.87368      1.90397  12.4811     192.783     1.62229     192.783     
1 1 1 5  3  55 o 23.2377 5.03518 5.16418      2.09214  2.39322      2.05474  10.3742     322.457     16.4376     142.457     
1 1 1 5  3  56 o 21.0368 5.4016  3.69519      2.19745  2.63289      2.39259  13.2908     212.552     3.68049     32.552      
1 1 1 5  3  57 o 14.0241 4.5065  -2.19634e-05 2.07354  -0.1918      2.17454  4.58012     274.725     0.254482    274.725     
1 1 1 5  3  58 o 15.9961 4.82137 2.06578      2.05919  0.00161492   2.29421  7.7802      341.506     7.15192     161.506     
1 1 1 5  3  59 o 14.1676 4.57057 0.633551     2.19996  -0.528965    2.2552   5.88245     306.784     5.07177     126.784     
1 1 1 5  3  60 o 15.5422 4.75048 0.853312     2.10525  1.61141      2.07949  5.13904     32.1186     1.60983     32.1186     
1 1 1 5  3  61 o 18.0569 5.03633 1.438        2.0075   3.54561      2.20912  8.59742     334.97      0.444154    334.97      
1 1 1 5  3  62 f 28.2615 5.38415 7.67908      2.55235  5.86011      2.25102  11.6121     41.6214     0           0           
1 1 1 5  3  63 o 16.1745 4.95387 2.24381      2.0446   1.72093      2.60014  6.73659     297.754     1.82598     297.754     
1 1 1 5  3  64 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  4  0  o 80.3646 1.90843 35.2894      2.35568  35.2894      2.35568  18.2499     90          40.6738     270         
1 1 1 5  4  1  o 232.535 1.83758 282.752      6.57002  306.533      6.58236  234.261     24.9465     51.7568     24.9466     
1 1 1 5  4  2  o 275.49  1.8393  412.896      7.80278  413.866      7.80275  277.114     198.203     51.9775     198.203     
1 1 1 5  4  3  o 301.958 1.90947 494.522      9.17202  498.773      8.5726   288.519     26.5298     22.0601     26.5298     
1 1 1 5  4  4  o 122.795 2.04768 75.7166      4.10411  88.878       3.55266  18.5879     4.20473     172.291     184.205     
1 1 1 5  4  5  o 202.276 1.90641 220.791      6.13356  224.936      5.7318   170.127     86.8751     19.4594     266.875     
1 1 1 5  4  6  o 266.488 1.8499  394.565      7.59598  379.089      7.58453  242.213     185.095     1.34577     5.095       
1 1 1 5  4  7  o 232.502 1.8496  294.678      6.62266  294.146      6.62147  171.686     116.87      78.3576     296.87      
1 1 1 5  4  8  o 254.563 1.85123 350.246      7.25461  355.6        7.25872  254.092     221.32      48.9933     221.32      
1 1 1 5  4  9  o 266.746 1.84757 376.731      7.58008  398.406      7.59398  180.964     319.207     127.211     139.207     
1 1 1 5  4  10 o 95.8759 1.91755 43.7545      2.80203  56.8379      2.82212  21.979      350.646     97.7735     170.646     
1 1 1 5  4  11 o 349.98  1.85852 673.268      10.0184  660.768      10.0133  312.591     121.525     21.8506     301.525     
1 1 1 5  4  12 o 219.92  1.85893 264.475      6.29768  262.265      6.29287  212.748     222.93      33.4163     222.93      
1 1 1 5  4  13 o 591.971 1.99148 1909.93      17.5295  1906.67      18.7561  541.156     97.3619     23.9233     277.362     
1 1 1 5  4  14 o 335.561 2.07977 602.747      10.3173  623.732      11.1714  236.046     318.091     148.974     138.091     
1 1 1 5  4  15 o 586.999 2.21808 1902.42      20.063   1850.78      20.0336  474.129     196.847     147.837     16.8473     
1 1 1 5  4  16 o 343.336 2.16696 611.499      11.4303  673.188      11.465   269.874     242.061     94.0345     62.0613     
1 1 1 5  4  17 o 652.072 2.0158  2311.28      19.5812  2319.86      20.8823  509.096     65.5217     197.537     245.522     
1 1 1 5  4  18 o 101.483 2.67569 58.4836      3.97103  53.9182      4.34748  8.49683     60.6145     140.485     240.614     
1 1 1 5  4  19 o 236.718 2.52581 297.123      8.7226   313.457      9.68709  107.323     23.0728     212.936     203.073     
1 1 1 5  4  20 o 224.149 1.9685  282.176      6.56312  265.235      7.00059  252.538     58.8404     128.505     58.8404     
1 1 1 5  4  21 o 210.303 2.03838 241.543      6.59774  240.26       6.60454  212.355     191.743     61.4161     191.743     
1 1 1 5  4  22 o 248.185 2.02518 348.175      7.746    323.118      7.72621  233.966     90.9299     22.3709     90.9299     
1 1 1 5  4  23 o 85.5671 2.24064 43.3858      2.95191  36.6509      2.92848  42.1758     191.691     28.7446     11.6912     
1 1 1 5  4  24 o 274.332 2.03024 410.575      8.57725  409.492      8.57585  255.705     229.274     10.8973     229.274     
1 1 1 5  4  25 o 82.9747 2.07765 36.0204      2.64965  39.1403      2.64768  17.9639     116.834     100.896     296.834     
1 1 1 5  4  26 o 59.764  2.46733 20.6193      2.24961  18.4903      2.26569  6.71348     249.108     74.1232     69.1084     
1 1 1 5  4  27 o 242.044 2.04485 322.072      7.62705  316.565      7.61578  223.529     88.8405     6.09771     88.8405     
1 1 1 5  4  28 o 270.307 1.97066 403.46       8.48233  393.073      7.91978  271.972     60.2777     51.4586     60.2777     
1 1 1 5  4  29 o 156.935 2.10264 130.128      5.3991   138.493      4.71524  178.988     287.493     84.0806     287.493     
1 1 1 5  4  30 o 69.7398 2.29219 25.0542      2.50951  28.1619      2.38452  29.5413     223.99      51.2496     43.99       
1 1 1 5  4  31 o 44.1809 2.74702 9.12384      1.81955  12.4873      1.84516  7.86931     257.107     12.4067     77.1066     
1 1 1 5  4  32 o 150.929 2.03881 125.1        4.57965  123.353      4.88984  134.835     284.677     0.239851    104.676     
1 1 1 5  4  33 o 41.404  3.00668 10.537       1.88074  8.45295      1.8779   11.8426     26.6045     19.2023     206.605     
1 1 1 5  4  34 o 54.8598 2.57057 16.8407      2.1703   16.1746      2.14805  27.9361     236.842     11.136      236.842     
1 1 1 5  4  35 o 158.967 1.99399 140.89       4.88822  134.866      4.87262  155.317     85.7176     27.1102     85.7176     
1 1 1 5  4  36 f 19.5574 4.59357 2.88864      1.7142   0.911707     1.66321  45.7554     29.5396     0           0           
1 1 1 5  4  37 o 108.064 2.42305 61.5931      4.03197  66.257       4.01739  130.256     233.657     73.1513     233.657     
1 1 1 5  4  38 o 19.3318 4.76049 1.73573      1.74798  1.98992      1.7309   6.85173     197.375     23.3246     197.375     
1 1 1 5  4  39 o 37.73   3.5432  7.51041      2.00263  8.46849      2.00605  1.14055     278.697     61.4513     278.697     
1 1 1 5  4  40 o 91.1374 2.51041 45.1463      3.51998  46.1367      3.51241  87.5066     297.564     16.6729     297.564     
1 1 1 5  4  41 o 46.6893 3.25151 12.9981      2.29855  11.3625      2.30591  35.6907     173.788     3.76271     353.788     
1 1 1 5  4  42 o 23.539  4.27863 2.28577      1.59758  4.18059      1.59418  1.41378     82.1283     37.0369     82.1283     
1 1 1 5  4  43 o 85.2495 2.37787 40.9545      3.11226  39.2932      3.1174   82.219      260.96      14.4906     260.96      
1 1 1 5  4  44 o 31.256  4.22033 4.65916      1.89517  6.87134      2.01439  24.8507     66.9286     2.16832     66.9286     
1 1 1 5  4  45 o 22.6951 4.37929 4.43017      1.64054  1.53843      1.73667  11.8568     354.367     5.75941     174.367     
1 1 1 5  4  46 o 61.3358 2.6451  21.0696      2.39825  20.9714      2.5707   66.3533     103.757     27.5454     103.757     
1 1 1 5  4  47 o 103.71  2.32485 57.5289      3.6943   61.9992      3.71879  107.411     245.441     32.8756     245.441     
1 1 1 5  4  48 o 51.4479 2.8958  12.6653      2.18733  17.5002      2.33547  42.175      191.702     4.58366     11.7015     
1 1 1 5  4  49 o 51.9906 2.81856 15.2426      2.24329  15.4671      2.23518  46.0928     253.361     2.91224     253.361     
1 1 1 5  4  50 o 36.6974 3.59333 6.91014      1.94314  9.07047      1.97796  30.6259     294.191     0.656448    294.19      
1 1 1 5  4  51 o 42.9564 3.27324 12.9874      2.10406  8.7176       2.07756  40.3148     321.796     9.10489     321.796     
1 1 1 5  4  52 o 43.5016 3.24708 12.0009      2.14092  10.2692      2.13104  37.1895     300.806     1.43799     300.806     
1 1 1 5  4  53 o 12.5108 4.01464 -0.190275    1.68842  -0.891717    1.6796   1.24423     291.402     5.42808     111.402     
1 1 1 5  4  54 o 49.6111 3.42281 12.9595      2.47036  16.9897      2.67558  49.9407     72.8271     16.0162     72.8271     
1 1 1 5  4  55 o 29.12   5.50055 6.38643      2.35137  6.00407      2.70026  23.2972     325.607     0.0384985   325.608     
1 1 1 5  4  56 o 23.7046 5.30435 3.97487      2.43271  4.3635       1.97029  10.3101     148.672     16.8034     328.672     
1 1 1 5  4  57 o 17.4937 5.01952 2.98338      2.10831  0.00678813   2.47856  11.2462     15.3382     4.9948      15.3382     
1 1 1 5  4  58 o 25.301  5.21994 5.48568      2.2471   4.49359      2.07834  22.1935     168.655     5.29972     168.655     
1 1 1 5  4  59 o 17.4969 5.13496 3.20529      2.4297   0.794593     2.21807  11.3679     75.0804     1.57704     75.0804     
1 1 1 5  4  60 o 15.7424 4.81223 2.06993      2.07126  0.181328     2.36947  8.52386     1.00423     0.405132    181.004     
1 1 1 5  4  61 o 14.0576 4.49    0.766035     1.97772  -0.0542059   2.19838  2.2786      336.984     4.11936     156.984     
1 1 1 5  4  62 f 19.9024 5.34862 5.05194      2.37095  1.79704      2.52973  12.9403     232.735     0           0           
1 1 1 5  4  63 o 16.2913 4.77684 -0.344322    2.27059  3.67252      2.12066  9.54894     340.768     1.66022     340.768     
1 1 1 5  5  0  o 418.927 1.98808 955.834      12.8238  955.834      12.8238  226.732     90          336.307     270         
1 1 1 5  5  1  o 271.583 1.84011 404.657      7.6967   398.797      7.69397  273.758     213.548     54.5137     213.548     
1 1 1 5  5  2  o 136.554 1.92197 104.827      3.90589  98.354       4.16181  45.6571     261.366     143.325     81.3656     
1 1 1 5  5  3  o 383.954 1.85485 799.604      10.9612  806.25       10.9721  394.962     329.17      79.3965     329.17      
1 1 1 5  5  4  o 284.475 1.84388 439.795      8.07656  441.713      8.07805  261.268     234.916     2.67544     234.917     
1 1 1 5  5  5  f 356.582 1.85131 702.113      10.1698  682.938      10.1598  369.396     297.468     0           0           
1 1 1 5  5  6  o 573.003 1.90139 1839.84      16.8118  1737.19      16.7343  570.627     138.991     70.5409     138.991     
1 1 1 5  5  7  o 98.1462 1.88328 53.8276      2.84557  51.1845      2.84048  38.8584     40.7745     52.523      220.774     
1 1 1 5  5  8  o 414.942 2.13668 917.33       15.0993  958.308      11.9498  394.66      322.258     19.3898     322.258     
1 1 1 5  5  9  o 389.52  2.0168  816.918      12.9258  835.682      11.1847  369.043     268.705     16.7995     268.705     
1 1 1 5  5  10 o 321.171 1.8566  565.039      9.18428  558.386      9.17976  280.305     283.394     30.5976     103.394     
1 1 1 5  5  11 f 221.295 1.85327 277.468      6.31712  256.089      6.3065   190.675     323.827     0           0           
1 1 1 5  5  12 o 260.556 1.86351 375.269      7.47829  364.147      7.47435  216.431     103.406     42.0828     283.406     
1 1 1 5  5  13 o 526.485 2.0394  1524.87      16.5469  1494.14      16.5202  495.299     304.662     10.2242     304.662     
1 1 1 5  5  14 o 346.412 2.26769 656.47       11.5283  650.606      12.6346  231.164     199.4       178.714     19.4002     
1 1 1 5  5  15 o 670.851 2.25148 2457.57      23.2664  2444.41      23.2507  685.799     52.4421     121.637     52.4421     
1 1 1 5  5  16 o 216.038 1.89694 249.737      6.31036  258.627      6.30945  165.986     100.791     54.0678     280.791     
1 1 1 5  5  17 o 160.244 2.22985 149.988      5.50384  130.071      5.48152  77.333      325.804     122.724     145.804     
1 1 1 5  5  18 o 364.656 2.67556 705.734      15.0377  743.261      15.0021  348.475     333.273     30.7074     333.273     
1 1 1 5  5  19 o 165.294 2.20858 151.677      5.6251   145.986      5.61671  10.4206     274.104     269.126     94.1039     
1 1 1 5  5  20 o 495.479 1.91703 1359.24      14.6393  1315.16      14.6113  461.867     44.78       10.3608     44.7799     
1 1 1 5  5  21 o 49.6533 2.50762 14.6669      1.95757  12.3851      1.84891  13.2767     57.3479     44.2957     57.3479     
1 1 1 5  5  22 o 112.383 2.11339 67.4772      3.64544  70.2459      3.66201  73.1971     288.189     31.345      108.189     
1 1 1 5  5  23 o 142.795 2.20924 113.583      4.28798  108.652      5.34464  69.6933     37.4585     112.88      217.459     
1 1 1 5  5  24 o 50.2465 2.74473 13.9184      2.02129  13.7771      2.18858  1.66399     182.279     45.6839     182.279     
1 1 1 5  5  25 o 79.751  2.24573 33.4481      2.73369  36.0195      2.76947  20.4599     323.218     89.8846     143.218     
1 1 1 5  5  26 o 106.791 2.00888 61.7498      3.30427  62.6447      3.29671  71.6963     18.0002     40.4935     198         
1 1 1 5  5  27 o 346.475 2.04465 647.074      10.8994  661.625      10.9175  339.708     194.394     44.9789     194.394     
1 1 1 5  5  28 o 154.268 2.08859 124.803      4.94295  134.78       4.97587  160.924     181.384     50.7951     181.384     
1 1 1 5  5  29 f 109.45  2.02104 62.6589      3.39223  68.1054      3.41077  37.0968     144.014     0           0           
1 1 1 5  5  30 o 205.248 1.92906 226.052      6.08768  233.298      6.10537  189.628     204.147     9.30334     204.147     
1 1 1 5  5  31 o 157.412 1.96286 138.69       4.76861  131.565      4.74533  136.807     11.4762     7.7885      191.476     
1 1 1 5  5  32 o 72.4171 2.39268 28.4768      2.75685  28.8846      2.55937  49.6551     254.418     20.2675     74.4177     
1 1 1 5  5  33 o 186.482 2.10719 192.39       6.46186  187.009      5.62187  134.879     150.323     66.4262     330.323     
1 1 1 5  5  34 o 112.609 2.14643 63.6823      3.78859  74.9892      3.61562  121.347     163.564     49.574      163.564     
1 1 1 5  5  35 o 116.843 2.18747 75.9431      3.93491  73.2087      3.92889  110.277     182.604     15.7027     182.604     
1 1 1 5  5  36 o 159.86  2.30027 142.174      5.68256  137.047      5.64163  158.065     13.8616     30.4341     13.8616     
1 1 1 5  5  37 f 131.03  2.19431 93.3753      4.42029  94.2553      4.43469  96.1675     14.3871     0           0           
1 1 1 5  5  38 o 96.5686 2.3136  50.4588      3.43551  51.7008      3.43502  79.8275     340.554     9.14594     160.554     
1 1 1 5  5  39 o 72.0121 2.77793 27.3968      3.06786  29.7418      3.06548  64.1665     160.46      6.87893     160.46      
1 1 1 5  5  40 o 78.0926 2.43973 32.142       2.90793  34.9404      2.94273  84.7256     216.315     37.1687     216.315     
1 1 1 5  5  41 o 45.5746 3.00857 12.0683      2.08915  11.0787      2.08175  36.3917     210.348     0.481802    30.3486     
1 1 1 5  5  42 o 21.3414 4.2957  4.11144      1.65503  0.986102     1.57408  5.69733     56.852      7.76749     236.852     
1 1 1 5  5  43 o 42.469  3.11029 11.6648      2.05547  8.72145      1.9329   35.2959     275.662     0.297771    95.6621     
1 1 1 5  5  44 o 79.5466 2.44797 34.1538      2.98753  35.9789      2.99386  70.7294     31.4396     2.16324     31.4397     
1 1 1 5  5  45 o 12.2833 3.88545 -0.175275    1.49517  -0.98561     1.54603  3.82077     54.8553     16.6948     54.8553     
1 1 1 5  5  46 o 48.8404 3.05189 16.2742      2.11698  10.9388      2.29743  44.9236     327.078     7.09519     327.078     
1 1 1 5  5  47 o 66.3213 2.58591 24.9757      2.50568  24.2551      2.74509  53.9549     191.497     7.45994     11.4974     
1 1 1 5  5  48 o 64.7158 2.74275 25.5274      2.7343   21.7769      2.69593  56.4535     249.941     0.442824    249.941     
1 1 1 5  5  49 o 27.9325 4.32781 5.41236      1.80878  4.18848      1.81788  21.2515     24.7003     1.58008     204.7       
1 1 1 5  5  50 o 14.8878 4.30883 1.42078      1.641    -0.347879    1.62422  1.94129     318.678     12.591      138.678     
1 1 1 5  5  51 o 24.4572 4.63159 4.89722      1.79817  2.68231      1.87822  16.5208     297.306     2.85909     117.306     
1 1 1 5  5  52 o 18.7422 4.74016 0.0913019    1.81553  3.59684      2.00037  9.74761     341.71      2.25078     161.71      
1 1 1 5  5  53 o 23.6731 5.06035 0.865126     2.30293  6.38321      2.35662  15.3604     267.025     5.46917     87.0252     
1 1 1 5  5  54 o 14.6518 4.50848 -0.985325    1.83818  1.4303       2.07153  6.5929      183.226     3.94725     3.22555     
1 1 1 5  5  55 o 20.2357 4.97982 1.12         2.05196  4.19821      2.05821  6.05309     206.544     19.3388     26.544      
1 1 1 5  5  56 f 26.3257 4.92447 6.96144      2.1538   3.11199      2.16343  11.2986     208.031     0           0           
1 1 1 5  5  57 o 18.4132 5.15679 2.3663       2.32993  2.28319      2.02099  14.4704     236.507     4.73864     236.507     
1 1 1 5  5  58 o 15.0978 4.62263 0.825883     1.96538  1.02847      1.99281  6.41159     95.1566     1.55352     95.1566     
1 1 1 5  5  59 o 15.8154 4.7597  1.69309      2.12734  1.05383      1.93402  6.41712     13.848      9.14433     193.848     
1 1 1 5  5  60 o 13.4729 4.40428 -1.45116     2.22626  0.753845     2.16354  3.86741     75.2623     2.88848     255.262     
1 1 1 5  5  61 o 17.1511 4.98764 2.75273      2.14027  1.41695      2.15671  4.89136     242.548     1.29546     62.5475     
1 1 1 5  5  62 o 14.7843 4.68677 1.48304      2.23914  0.566906     2.18855  4.49044     94.6629     7.29758     274.663     
1 1 1 5  5  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  6  0  o 91.4368 1.90028 45.6438      2.67041  45.6438      2.67041  9.76155     90.0001     3.06337     270         
1 1 1 5  6  1  o 43.8514 2.22093 8.03322      1.44559  13.3641      1.45985  61.0989     47.169      157.59      47.169      
1 1 1 5  6  2  o 69.8485 1.96304 28.5974      2.10573  24.7         2.10041  5.80564     44.6757     72.3488     44.6757     
1 1 1 5  6  3  f 111.727 1.87298 64.1756      3.21252  71.941       3.22224  89.5871     217.694     0           0           
1 1 1 5  6  4  o 238.871 1.91423 320.307      6.7965   301.321      7.2592   197.514     257.563     36.0086     77.5627     
1 1 1 5  6  5  o 143.056 1.85395 117.123      4.08691  105.912      4.07411  68.5283     94.0942     107.514     274.094     
1 1 1 5  6  6  f 186.179 1.9178  188.977      5.67989  188.55       5.3108   100.904     279.656     0           0           
1 1 1 5  6  7  o 173.626 1.91375 163.836      4.94927  164.492      5.27943  100.182     219.921     106.05      39.9213     
1 1 1 5  6  8  o 622.045 1.92034 2149.71      18.4162  2064.93      18.3684  717.285     236.319     275.721     236.319     
1 1 1 5  6  9  o 380.43  1.85905 776.925      10.8846  799.363      10.8953  346.117     331.171     10.9022     151.171     
1 1 1 5  6  10 o 154.893 1.87832 135.302      4.48346  126.073      4.47299  155.846     202.59      66.5441     202.59      
1 1 1 5  6  11 o 379.12  1.92994 790.961      11.6358  774.476      10.893   465.416     164.559     236.035     164.559     
1 1 1 5  6  12 o 614.89  2.22659 2082.07      21.0801  2036.18      21.0833  615.35      139.099     85.789      139.099     
1 1 1 5  6  13 o 342.552 2.08685 646.791      11.437   631.304      10.5712  410.85      174.44      196.6       174.44      
1 1 1 5  6  14 o 25.1769 3.49579 5.31107      1.30237  2.06986      1.30722  43.9159     41.0311     95.5339     41.0311     
1 1 1 5  6  15 o 179.944 2.02527 175.103      5.61344  177.574      5.61014  169.853     319.76      34.4703     319.76      
1 1 1 5  6  16 o 242.076 2.02097 327.094      7.53812  311.283      7.52583  155.647     190.183     124.934     10.1831     
1 1 1 5  6  17 o 344.534 2.1819  651.141      11.5806  641.901      11.571   313.234     137.872     1.03205     317.872     
1 1 1 5  6  18 o 185.9   2.2033  195.225      6.30285  181.368      6.30519  97.2265     131.434     129.061     311.434     
1 1 1 5  6  19 o 108.585 2.2018  66.1516      3.79918  62.431       3.55711  45.1159     287.552     64.9612     107.552     
1 1 1 5  6  20 o 355.73  1.89559 684.263      10.3855  694.259      10.3815  245.523     122.65      160.799     302.65      
1 1 1 5  6  21 o 73.2905 2.29618 26.785       2.55149  31.9777      2.60763  12.8632     39.3741     16.0502     219.374     
1 1 1 5  6  22 f 302.618 2.22349 513.297      9.43708  484.878      11.1585  241.51      289.625     0           0           
1 1 1 5  6  23 o 208.58  2.10267 237.306      6.48581  236.817      7.0106   188.166     348.9       1.35857     348.9       
1 1 1 5  6  24 o 96.4249 2.0305  53.2795      3.01662  48.2064      3.00158  5.28322     271.085     156.194     91.0851     
1 1 1 5  6  25 o 193.779 2.04707 202.284      6.10265  207.028      6.11369  194.975     6.28586     42.3848     6.28586     
1 1 1 5  6  26 o 229.691 2.04381 295.757      7.23315  279.476      7.22071  208.095     261.853     0.392388    81.853      
1 1 1 5  6  27 o 62.8067 2.33966 19.203       2.18313  24.0768      2.31757  32.5233     135.369     12.861      315.369     
1 1 1 5  6  28 o 83.8325 2.47554 34.5552      2.93016  42.4599      3.45436  70.8015     186.47      34.3189     186.47      
1 1 1 5  6  29 o 173.168 2.25505 158.967      5.98338  168.209      6.04115  137.118     187.839     35.8231     7.83915     
1 1 1 5  6  30 o 186.19  1.94085 183.881      5.55228  194.199      5.57448  195.556     328.174     58.1881     328.174     
1 1 1 5  6  31 o 321.5   1.91972 567.901      9.50834  559.248      9.49937  327.435     180.986     70.6758     180.986     
1 1 1 5  6  32 o 118.951 2.12778 75.8847      4.02163  78.5371      3.75963  107.73      236.98      7.02172     236.98      
1 1 1 5  6  33 o 222.634 1.94977 270.69       6.68632  269.95       6.68255  183.671     286.523     34.1659     106.523     
1 1 1 5  6  34 o 200.408 1.96712 219.401      6.06686  218.789      6.07441  181.686     322.797     3.55935     322.796     
1 1 1 5  6  35 o 91.7374 2.64253 46.2314      3.53817  45.9277      3.90165  66.0918     285.903     27.3751     105.903     
1 1 1 5  6  36 o 86.8014 2.52224 37.9832      3.47416  44.6914      3.20919  89.1064     112.221     29.4646     112.221     
1 1 1 5  6  37 f 72.1189 2.57908 25.1996      2.98022  32.0966      2.64368  15.8011     35.1113     0           0           
1 1 1 5  6  38 o 40.9899 3.98395 12.463       2.46409  6.8652       2.29747  21.4934     164.349     14.6187     344.349     
1 1 1 5  6  39 o 150.036 2.23684 122.03       4.98451  124.57       5.34825  163.843     189.097     62.1168     189.097     
1 1 1 5  6  40 o 40.3663 3.05914 9.13155      1.87726  9.04823      1.8666   22.9637     171.132     17.4113     351.132     
1 1 1 5  6  41 o 107.312 2.23052 61.8224      3.67697  64.7969      3.68543  105.133     328.575     21.3291     328.575     
1 1 1 5  6  42 f 91.3155 2.40622 44.0492      3.50138  48.0246      3.23081  59.7458     136.809     0           0           
1 1 1 5  6  43 o 46.9697 2.83831 14.0124      2.01916  10.7572      2.01619  30.8924     241.177     18.4501     61.1771     
1 1 1 5  6  44 o 24.5011 4.56855 3.28222      1.7474   3.88584      1.75565  15.1641     108.796     1.68193     108.796     
1 1 1 5  6  45 f 70.9149 2.56734 27.4578      2.76505  28.5976      2.82344  55.8694     232.093     0           0           
1 1 1 5  6  46 o 20.5472 4.70299 2.64629      1.70478  2.25225      1.69715  9.80343     31.1159     0.115196    31.1162     
1 1 1 5  6  47 o 25.3566 4.30546 5.17281      1.68974  2.6582       1.71564  12.2034     131.807     16.5156     311.807     
1 1 1 5  6  48 o 36.8283 3.81234 8.80417      2.06598  7.24094      2.1056   43.1175     232.652     28.301      232.652     
1 1 1 5  6  49 o 24.0679 4.86527 3.22874      1.91932  4.07816      1.88869  16.4184     198.689     2.44532     18.6893     
1 1 1 5  6  50 o 47.0276 3.32321 14.7834      2.31999  11.1062      2.36949  36.7522     233.591     6.01984     53.5911     
1 1 1 5  6  51 o 14.6941 4.41188 0.493094     1.81152  0.389119     1.66336  2.22188     168.606     3.76061     348.606     
1 1 1 5  6  52 o 27.7847 4.70668 6.2799       2.03447  3.89465      1.99698  21.572      68.0181     0.034811    248.017     
1 1 1 5  6  53 o 12.2822 4.01335 -1.13495     1.8058   -0.62139     1.76413  0.836877    337.3       11.8585     157.3       
1 1 1 5  6  54 o 23.4143 5.08616 2.11017      2.31146  5.40466      2.08246  17.2467     122.005     1.60188     302.005     
1 1 1 5  6  55 o 19.2149 5.14798 2.18121      2.15976  2.70868      2.04604  12.3753     276.48      0.299586    276.48      
1 1 1 5  6  56 o 37.2705 3.94368 8.76434      2.17809  9.26388      2.20899  32.5993     75.8238     3.64912     75.8238     
1 1 1 5  6  57 o 12.1292 3.99908 -1.02199     1.836    -0.538813    1.82929  3.95141     116.923     1.511       296.923     
1 1 1 5  6  58 o 22.3982 5.30876 3.27406      2.35903  4.79212      2.10202  13.2945     32.7116     7.99559     212.712     
1 1 1 5  6  59 o 16.7113 4.91845 2.39766      2.21352  1.29766      1.9817   9.47174     320.334     2.62842     320.334     
1 1 1 5  6  60 o 13.8829 4.49072 1.01221      2.21191  -0.873451    2.14746  3.39491     162.577     3.76064     342.577     
1 1 1 5  6  61 o 20.6077 5.09048 0.394972     2.19209  6.35311      2.45917  9.88953     252.702     3.52228     252.702     
1 1 1 5  6  62 f 19.5739 5.30014 3.82019      2.21196  3.49683      2.26199  15.4867     223.085     0           0           
1 1 1 5  6  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  7  0  f 247.556 1.83927 333.798      7.00971  333.798      7.00971  284.497     90          0           0           
1 1 1 5  7  1  o 600.734 1.90714 1930.84      17.6222  1999.94      17.6589  629.181     349.074     140.094     349.074     
1 1 1 5  7  2  o 293.702 1.84383 457.581      8.32777  482.056      8.34662  237.225     135.174     62.95       315.174     
1 1 1 5  7  3  o 187.362 1.84145 191.519      5.31219  190.808      5.31359  117.494     265.878     97.5928     85.878      
1 1 1 5  7  4  o 441.437 1.86604 1048.22      12.6789  1074.17      12.6892  440.422     196.857     63.8416     196.857     
1 1 1 5  7  5  o 355.576 1.85444 706.926      10.1622  670.305      10.1408  402.253     86.1223     153.8       86.1223     
1 1 1 5  7  6  o 113.171 2.02302 73.7964      3.79002  65.8554      3.25939  59.3307     25.0693     57.1733     205.069     
1 1 1 5  7  7  o 318.462 1.84838 563.965      9.07045  540.685      9.05559  353.12      39.8763     126.46      39.8763     
1 1 1 5  7  8  o 283.09  1.85203 441.447      8.07542  431.376      8.07083  357.915     79.3632     211.242     79.3632     
1 1 1 5  7  9  o 331.206 1.85275 594.818      9.44979  599.887      9.44886  339.66      223.562     73.1451     223.562     
1 1 1 5  7  10 f 164.424 1.99768 150.608      5.06255  143.88       5.05177  188.052     4.64079     0           0           
1 1 1 5  7  11 o 301.256 1.99026 484.145      9.22336  504.407      9.23978  269.98      236.058     10.8995     56.058      
1 1 1 5  7  12 f 191.861 2.01677 206.137      5.96019  194.866      5.95333  204.924     305.165     0           0           
1 1 1 5  7  13 o 591.149 2.13567 1899.54      18.6495  1906.76      20.2045  626.885     336.265     159.13      336.265     
1 1 1 5  7  14 o 296.382 2.17582 467.782      9.92691  489.149      9.93016  270.202     222.708     3.59545     222.707     
1 1 1 5  7  15 o 407.981 2.01917 903.885      12.6879  909.097      12.6827  399.501     94.6664     51.9404     94.6664     
1 1 1 5  7  16 o 212.579 2.29847 250.523      7.88644  241.791      7.15494  170.17      237.858     30.92       57.858      
1 1 1 5  7  17 o 412.194 2.37494 928.009      17.0025  923.012      12.8729  405.014     264.957     57.9877     264.957     
1 1 1 5  7  18 o 238.4   2.09217 318.299      7.99     300.971      7.37147  218.864     120.66      16.719      120.66      
1 1 1 5  7  19 o 235.968 2.01573 306.673      7.32229  299.949      7.32594  262.62      162.557     112.564     162.557     
1 1 1 5  7  20 o 232.396 1.9539  293.496      7.19984  294.903      6.77735  237.713     284.941     62.2826     284.941     
1 1 1 5  7  21 o 224.719 1.90131 273.853      6.58151  276.343      6.57706  223.592     209.074     44.5953     209.074     
1 1 1 5  7  22 o 40.7227 2.75905 8.74686      1.69669  9.50986      1.71969  18.5026     92.3703     67.8271     92.3703     
1 1 1 5  7  23 o 69.4992 2.28275 25.8786      2.43536  26.8935      2.43666  27.7597     15.3549     1.49472     15.3549     
1 1 1 5  7  24 o 103.077 2.00624 56.6703      3.17937  59.2369      3.18236  96.6975     233.788     27.9309     233.788     
1 1 1 5  7  25 o 86.5852 2.14954 37.0404      2.74765  44.9872      2.97256  68.3244     4.15107     0.296034    184.151     
1 1 1 5  7  26 o 73.9586 2.61555 31.1191      2.66797  28.7331      3.2176   44.0628     215.677     24.9089     35.6769     
1 1 1 5  7  27 o 93.9003 2.30094 46.2462      3.18618  50.0798      3.45922  70.7423     231.132     12.8869     51.1319     
1 1 1 5  7  28 o 153.305 1.95362 129.713      4.61231  126.549      4.61113  152.297     234.503     35.4757     234.503     
1 1 1 5  7  29 o 211.208 2.06609 241.031      6.71932  245.479      6.71966  223.629     130.456     68.3971     130.456     
1 1 1 5  7  30 o 133.208 2.24364 96.0041      4.78527  97.5957      4.4082   138.207     112.226     43.2992     112.226     
1 1 1 5  7  31 o 101.71  2.15245 54.995       3.26631  57.9829      3.46906  91.6624     325.748     8.46953     325.748     
1 1 1 5  7  32 o 161.655 2.12385 136.626      4.91102  148.611      5.66066  153.08      19.7881     18.4274     19.7881     
1 1 1 5  7  33 o 53.0132 2.96976 16.7464      2.15678  14.23        2.57988  26.7021     235.649     24.2006     55.6494     
1 1 1 5  7  34 o 41.7687 3.21235 10.176       2.02113  9.16286      2.03819  14.6318     314.487     1.24143     134.487     
1 1 1 5  7  35 f 64.7873 2.79971 24.3796      2.78966  21.7641      2.76419  47.4609     176.772     0           0           
1 1 1 5  7  36 o 162.298 1.99688 137.4        4.9737   150.447      5.00102  172.088     330.679     55.5235     330.679     
1 1 1 5  7  37 o 44.3978 3.50288 10.2257      2.3473   11.7689      2.34972  29.3841     134.075     3.54468     314.075     
1 1 1 5  7  38 o 143.794 2.16913 112.984      4.80691  113.347      4.79917  150.841     234.709     47.8014     234.709     
1 1 1 5  7  39 o 93.4513 2.16823 49.4554      3.1306   46.3563      3.09975  98.8877     109.494     36.325      109.494     
1 1 1 5  7  40 o 51.6736 2.82068 14.9952      2.25045  14.6216      2.20381  41.7171     267.704     1.96695     87.7036     
1 1 1 5  7  41 o 49.6122 3.03817 11.8336      2.35178  15.7793      2.16704  53.2734     168.048     26.5788     168.048     
1 1 1 5  7  42 o 58.998  2.69395 21.7372      2.50258  17.0906      2.35406  70.8297     118.725     42.8271     118.725     
1 1 1 5  7  43 o 19.0122 4.40153 2.81714      1.5502   1.04531      1.55426  2.00091     68.9653     31.1588     68.9653     
1 1 1 5  7  44 o 54.9945 2.79    14.1255      2.36915  19.9801      2.23665  38.359      48.4361     17.9677     228.436     
1 1 1 5  7  45 o 48.994  3.02382 13.7846      2.25474  13.3293      2.2615   38.7561     266.146     5.82626     86.1459     
1 1 1 5  7  46 o 54.7368 2.85813 18.2086      2.40056  15.6069      2.3735   43.4916     55.3761     7.18997     235.376     
1 1 1 5  7  47 o 21.0861 4.83989 1.78731      1.71298  3.49283      1.94782  5.72803     177.238     22.0461     357.238     
1 1 1 5  7  48 o 34.9521 3.67893 7.91403      1.89043  6.53375      1.92807  31.6148     212.659     6.08436     212.659     
1 1 1 5  7  49 o 30.8105 4.46809 5.1844       2.03894  6.6233       2.05942  24.961      240.943     1.25677     240.942     
1 1 1 5  7  50 o 60.6367 2.7563  21.7384      2.65612  20.2153      2.46471  58.7592     159.114     14.3915     159.114     
1 1 1 5  7  51 o 47.0181 3.25121 13.3783      2.30491  12.605       2.33918  48.8129     31.0274     19.5306     31.0274     
1 1 1 5  7  52 o 14.1822 4.4168  1.30118      2.1055   -1.71376     1.77992  3.37695     125.677     5.19185     305.677     
1 1 1 5  7  53 f 21.8541 5.02547 4.44801      2.0448   2.03741      2.00569  21.1209     288.086     0           0           
1 1 1 5  7  54 o 15.0496 4.68091 0.197713     2.10062  0.557746     2.10093  3.14551     208.395     0.31075     208.395     
1 1 1 5  7  55 o 15.5188 4.60022 1.81736      1.86737  -0.165023    1.98871  6.58942     25.8277     3.75478     205.828     
1 1 1 5  7  56 o 15.7997 4.70245 2.05962      2.0185   0.0102619    1.99995  9.36498     151.58      1.16547     331.58      
1 1 1 5  7  57 f 19.6084 5.01619 3.48593      1.96689  2.22297      1.99113  11.2193     50.0577     0           0           
1 1 1 5  7  58 o 17.3405 4.91352 2.57156      2.00029  1.48779      2.03708  8.97035     354.665     3.8847      354.665     
1 1 1 5  7  59 o 26.1609 5.1228  5.90841      2.12278  5.03525      2.1662   22.0379     328.378     3.86552     328.378     
1 1 1 5  7  60 o 25.6862 5.60442 6.14856      2.43986  5.3631       2.45223  20.8549     317.064     6.60294     317.064     
1 1 1 5  7  61 o 22.7889 5.37008 5.95404      2.16607  3.08704      2.84437  13.9941     327.257     4.49933     147.257     
1 1 1 5  7  62 o 16.3976 4.93612 2.50161      2.17976  1.82987      2.20829  9.24377     181.687     0.235099    1.68682     
1 1 1 5  7  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  8  0  o 350.739 1.84746 669.927      9.97689  669.927      9.97689  378.969     90          102.529     90          
1 1 1 5  8  1  o 186.173 1.99076 186.11       5.28763  191.401      6.10793  85.2557     172.282     162.2       352.282     
1 1 1 5  8  2  o 336.521 1.84951 611.279      9.581    622.09       9.587    291.022     209.263     35.431      29.2635     
1 1 1 5  8  3  o 273.257 1.84264 412.529      7.75754  400.725      7.7485   212.838     331.364     71.9075     151.364     
1 1 1 5  8  4  o 265.155 1.84391 385.816      7.52885  379.901      7.52857  209.493     288.487     62.8931     108.487     
1 1 1 5  8  5  o 567.813 1.90181 1728.43      16.6251  1783.17      16.6296  503.862     105.281     46.0704     285.281     
1 1 1 5  8  6  o 539.321 1.89539 1596.01      15.7666  1571.87      15.7154  593.098     286.149     188.125     286.149     
1 1 1 5  8  7  o 373.515 1.86076 756.909      10.7029  762.525      10.7021  368.904     159.113     51.7478     159.113     
1 1 1 5  8  8  o 535.294 1.89511 1536.09      15.6171  1584.82      15.6227  454.632     160.602     82.8546     340.602     
1 1 1 5  8  9  o 62.1742 2.29207 20.6314      2.18221  21.5941      2.19085  29.7987     107.992     136.376     107.992     
1 1 1 5  8  10 o 533.55  2.0242  1523.18      16.6221  1577.63      16.6363  520.873     164.299     55.5205     164.299     
1 1 1 5  8  11 o 457.138 2.00867 1129.07      14.1366  1147.06      14.1425  397.91      20.0229     46.6195     200.023     
1 1 1 5  8  12 o 142.635 1.90685 106.759      4.17823  114.9        4.19458  96.0733     221.799     60.6349     221.799     
1 1 1 5  8  13 o 291.376 2.15947 457.878      9.68244  466.92       9.69547  311.127     151.585     101.773     151.585     
1 1 1 5  8  14 o 159.615 2.31482 135.338      5.39735  142.238      5.97879  88.6723     27.5833     92.1763     207.583     
1 1 1 5  8  15 o 303.922 1.93379 524.158      9.37584  482.384      8.72832  303.028     16.169      62.7686     16.169      
1 1 1 5  8  16 o 196.227 2.0272  216.168      6.12573  203.373      6.12122  182.94      290.994     34.4617     290.994     
1 1 1 5  8  17 o 139.031 2.1092  112.386      4.1452   98.4265      4.8035   107.394     276.969     2.08809     96.9689     
1 1 1 5  8  18 o 210.041 2.01227 233.87       6.49702  246.854      6.51695  178.184     24.6055     14.148      204.605     
1 1 1 5  8  19 o 106.41  2.11698 62.7196      3.47111  60.7609      3.45925  22.2803     305.458     132.984     125.458     
1 1 1 5  8  20 o 245.218 2.09836 326.827      8.22011  328.427      7.61398  206.403     231.979     30.401      51.9793     
1 1 1 5  8  21 o 154.274 2.09726 129.699      5.34436  129.681      4.59189  133.221     5.32937     2.82125     185.329     
1 1 1 5  8  22 o 119.832 2.1827  78.1678      4.18833  78.4132      3.85556  104.829     66.3951     8.32718     66.3951     
1 1 1 5  8  23 o 76.2607 2.29722 29.9725      2.60232  33.602       2.78135  34.7291     41.6513     51.2716     221.651     
1 1 1 5  8  24 o 116.726 2.04846 70.9721      3.55917  77.6758      3.80335  99.7187     223.422     0.436648    43.4226     
1 1 1 5  8  25 o 223.857 1.9069  278.129      6.57529  268.155      6.56991  237.103     339.74      72.1861     339.74      
1 1 1 5  8  26 o 51.5271 2.44129 13.2176      1.91368  15.9413      1.92551  11.9433     280.572     15.7574     100.572     
1 1 1 5  8  27 o 171.529 2.08355 165.806      5.50969  155.133      5.49306  146.035     298.736     12.9518     118.736     
1 1 1 5  8  28 o 168.943 2.0843  149.806      5.40835  161.583      5.4314   168.876     71.1719     38.3403     71.1719     
1 1 1 5  8  29 o 71.6841 2.44066 30.1752      2.48548  26.1103      2.83756  57.5892     152.842     4.80592     152.842     
1 1 1 5  8  30 o 35.6189 4.00578 6.69724      1.89128  7.55692      2.3526   4.62699     60.0661     52.0755     60.0661     
1 1 1 5  8  31 o 239.757 2.16541 312.492      7.67244  314.693      8.3064   221.496     214.091     11.5798     214.091     
1 1 1 5  8  32 o 37.1407 3.26831 7.67764      1.82355  7.6486       1.83419  4.75487     121.897     12.8048     301.897     
1 1 1 5  8  33 f 227.133 2.019   289.983      7.31276  273.103      6.81193  174.063     16.938      0           0           
1 1 1 5  8  34 o 65.8331 2.79815 24.14        2.83342  23.4525      2.81347  63.9187     53.7195     24.7309     53.7195     
1 1 1 5  8  35 o 51.2353 2.9615  15.7403      2.38105  13.2682      2.24739  26.7031     181.228     29.7784     1.22756     
1 1 1 5  8  36 o 129.221 2.5051  92.4271      4.76947  90.5369      5.17734  135.197     281.615     43.4448     281.615     
1 1 1 5  8  37 o 163.998 2.32952 149.775      5.88033  144.78       5.88418  143.872     275.055     3.24045     95.0548     
1 1 1 5  8  38 o 84.7996 2.22257 40.9857      2.89923  37.9331      2.89218  81.4566     87.7441     17.4762     87.7441     
1 1 1 5  8  39 o 124.559 2.05654 82.9087      3.94129  87.1328      3.94618  126.234     174.989     33.4238     174.989     
1 1 1 5  8  40 o 93.0835 2.17407 48.9811      3.10881  46.2978      3.11315  90.1545     40.9948     17.791      40.9947     
1 1 1 5  8  41 o 64.3887 2.42898 21.3856      2.39325  24.5141      2.39734  71.8103     290.75      33.6781     290.75      
1 1 1 5  8  42 o 25.6088 4.34705 3.97771      1.69769  3.77954      1.68769  16.4444     357.867     3.27217     357.867     
1 1 1 5  8  43 o 43.9145 3.19627 9.83883      2.04003  12.0319      2.21797  33.8499     123.335     5.97812     303.335     
1 1 1 5  8  44 o 64.7997 2.78318 24.3304      2.87322  22.7016      2.65563  67.9678     117.384     24.9632     117.384     
1 1 1 5  8  45 o 43.6883 3.37299 10.6823      2.30154  11.1508      2.15448  30.6475     194.729     12.5722     14.7294     
1 1 1 5  8  46 o 18.591  4.70285 2.04246      1.6564   1.63171      1.76735  10.0247     65.9769     2.17912     245.977     
1 1 1 5  8  47 o 38.6852 3.61731 10.2781      2.06123  7.34237      2.07791  40.5831     199.821     17.6355     199.821     
1 1 1 5  8  48 o 18.5742 4.60245 2.89016      1.7143   0.765481     1.72292  4.212       338.893     18.3005     158.893     
1 1 1 5  8  49 o 57.2496 2.98847 18.0869      2.60726  19.5734      2.6217   59.8608     221.274     23.0574     221.274     
1 1 1 5  8  50 o 38.1673 4.35753 7.73317      2.50497  10.3404      2.37819  25.6909     282.943     11.7428     102.943     
1 1 1 5  8  51 o 15.5304 4.65088 -0.249045    2.14057  1.22696      1.8184   4.60389     184.168     5.94863     4.16803     
1 1 1 5  8  52 o 14.1104 4.32083 -0.228675    1.79069  0.729866     1.70749  3.42488     51.5984     9.69569     231.598     
1 1 1 5  8  53 o 47.0978 3.92251 12.9783      2.74114  14.9273      2.83171  53.3456     89.4647     28.4387     89.4647     
1 1 1 5  8  54 o 13.8902 4.43841 0.177798     2.16189  -0.473919    1.87415  4.09345     11.8064     4.05348     191.806     
1 1 1 5  8  55 o 15.2081 4.5423  0.894993     1.79609  0.998825     1.85651  2.63634     119.97      0.592194    119.97      
1 1 1 5  8  56 o 46.4213 3.5197  12.9615      2.37936  14.3755      2.57543  47.5394     180.337     17.7805     180.337     
1 1 1 5  8  57 o 25.7516 4.86791 6.64526      2.0399   3.43654      2.11363  19.3506     196.445     1.69378     16.4448     
1 1 1 5  8  58 o 22.8091 5.33271 4.88741      2.09755  3.72473      2.3683   18.6698     83.1262     4.13371     83.1262     
1 1 1 5  8  59 o 17.3922 4.97877 2.08335      2.05523  2.362        2.08683  9.06281     62.4939     1.45549     62.4939     
1 1 1 5  8  60 o 15.8035 4.76432 1.34805      2.0573   1.63555      2.02944  3.728       205.159     8.30861     25.1587     
1 1 1 5  8  61 o 12.3401 4.15912 -0.479798    2.17412  -1.2189      2.21079  1.13398     133.017     2.27578     313.017     
1 1 1 5  8  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  9  0  o 309.679 1.84994 522.284      8.82043  522.284      8.82043  403.111     90          229.762     90          
1 1 1 5  9  1  o 461.886 1.87261 1164.04      13.3192  1159.43      13.3187  507.174     44.6792     164.518     44.6792     
1 1 1 5  9  2  o 221.571 1.84779 261.355      6.3014   273.388      6.3054   188.5       233.543     18.7924     53.5428     
1 1 1 5  9  3  o 364.297 1.85472 718.294      10.4047  727.085      10.4041  413.157     293.891     161.815     293.891     
1 1 1 5  9  4  o 509.741 1.88467 1442.99      14.8088  1387.18      14.7747  441.652     257.694     58.4173     77.6936     
1 1 1 5  9  5  o 32.2608 3.169   2.93219      1.36286  9.55577      1.38079  73.9928     282.121     171.389     282.121     
1 1 1 5  9  6  o 369.257 1.86419 734.357      10.6024  750.7        10.5967  351.195     104.526     26.8322     104.526     
1 1 1 5  9  7  o 41.9213 2.74859 7.753        1.71503  11.7708      1.72975  82.8963     67.3735     208.525     67.3735     
1 1 1 5  9  8  o 594.955 2.04091 1922.91      18.7135  1932.47      18.6826  602.527     344.383     107.495     344.383     
1 1 1 5  9  9  o 149.649 2.05318 120.003      4.72569  123.934      4.73634  88.654      60.8463     74.3635     240.846     
1 1 1 5  9  10 o 297.694 1.85467 492.648      8.5088   472.671      8.49298  321.377     328.369     110.79      328.369     
1 1 1 5  9  11 o 168.131 1.8673  145.938      4.82009  162.16       4.83988  82.0082     8.20955     125.484     188.21      
1 1 1 5  9  12 o 139.077 2.20839 105.348      4.72199  105.35       4.73708  103.424     322.223     3.02123     322.224     
1 1 1 5  9  13 o 232.987 2.16054 291.791      7.75053  299.552      7.75142  217.937     334.831     31.7534     334.831     
1 1 1 5  9  14 o 290.573 1.86776 466.847      8.36118  452.89       8.3521   322.21      297.866     131.544     297.866     
1 1 1 5  9  15 o 95.7802 2.28088 51.285       3.20628  48.7935      3.49694  30.2195     78.8528     10.7347     258.853     
1 1 1 5  9  16 o 104.12  2.14987 57.9758      3.439    60.2488      3.44671  25.1438     195.422     113.409     15.4224     
1 1 1 5  9  17 f 162.413 1.9238  130.905      4.78007  157.063      4.816    222.669     357.161     0           0           
1 1 1 5  9  18 o 159.793 2.04158 135.207      5.01647  143.063      5.02796  125.645     179.3       26.4539     359.3       
1 1 1 5  9  19 o 175.807 2.03417 157.431      5.48176  179.741      5.51629  85.43       18.0721     143.385     198.072     
1 1 1 5  9  20 o 54.017  2.41963 13.4056      1.96294  18.7575      2.00345  5.39        194.231     34.7624     14.2308     
1 1 1 5  9  21 f 95.6404 2.01464 47.9366      2.96138  51.8839      2.96268  121.01      120.516     0           0           
1 1 1 5  9  22 o 208.73  2.02901 235.711      6.52125  239.192      6.52182  147.092     78.8187     82.3652     258.819     
1 1 1 5  9  23 f 174.517 2.05019 161.797      5.49657  170.267      5.52053  142.128     32.7021     0           0           
1 1 1 5  9  24 o 261.393 2.03208 368.892      8.18828  376.028      8.16986  307.349     93.1729     145.107     93.1729     
1 1 1 5  9  25 o 133.348 2.14051 94.0348      4.69177  99.9166      4.05308  101.283     113.058     30.124      293.058     
1 1 1 5  9  26 o 129.303 2.1209  91.6262      4.22878  90.7121      4.21714  143.565     357.873     70.4155     357.873     
1 1 1 5  9  27 o 75.9225 2.19428 31.3236      2.56066  31.6576      2.55922  62.1552     154.677     12.5838     154.677     
1 1 1 5  9  28 o 147.752 2.11883 120.665      4.81962  117.468      4.82126  106.255     323.713     49.9689     143.713     
1 1 1 5  9  29 o 154.106 2.19069 131.22       5.02377  127.893      5.36293  123.082     132.592     27.9651     312.592     
1 1 1 5  9  30 o 87.3969 2.1767  45.7734      2.92672  37.8562      2.90485  82.1581     93.4935     20.249      93.4935     
1 1 1 5  9  31 o 135.815 2.17116 100.208      4.53081  101.091      4.55072  136.926     318.05      36.6281     318.05      
1 1 1 5  9  32 o 118.923 2.227   77.172       4.08005  77.3326      4.06928  82.8959     229.267     43.0835     49.2672     
1 1 1 5  9  33 o 68.9032 2.89022 26.7152      2.90755  25.4302      3.18275  55.053      162.927     3.51673     342.927     
1 1 1 5  9  34 o 35.2093 3.90618 5.84476      1.91547  8.21887      2.17363  14.0201     16.3336     5.24179     196.334     
1 1 1 5  9  35 o 55.4945 2.98156 17.7384      2.42287  16.2541      2.61712  36.4232     309.524     17.0127     129.524     
1 1 1 5  9  36 o 57.1738 3.09358 21.9383      2.66468  14.5783      2.64977  15.3635     118.952     65.287      298.952     
1 1 1 5  9  37 o 17.8628 4.42566 2.12702      1.53826  0.940181     1.53508  24.1069     343.456     68.2917     343.456     
1 1 1 5  9  38 o 92.7457 2.16089 49.0131      3.08846  45.4106      3.07254  89.9571     309.264     19.3777     309.264     
1 1 1 5  9  39 o 92.7015 2.22732 44.7985      3.0699   49.7504      3.28087  88.3897     100.269     15.4638     100.269     
1 1 1 5  9  40 o 60.8211 2.62986 19.4132      2.28956  21.6185      2.61425  44.5751     310.372     15.6592     130.372     
1 1 1 5  9  41 o 16.7599 4.36176 2.19829      1.48777  -0.462311    1.82719  4.17244     142.079     29.9806     142.079     
1 1 1 5  9  42 o 27.9188 4.29948 5.71219      1.72812  3.55424      1.88348  20.8385     244.379     3.3277      244.379     
1 1 1 5  9  43 o 55.9698 2.74879 16.9612      2.34309  18.1167      2.36423  45.8626     268.852     3.92768     88.852      
1 1 1 5  9  44 o 21.843  4.49109 2.79581      1.60672  2.8932       1.5951   11.1659     278.727     1.00453     278.727     
1 1 1 5  9  45 o 27.0397 4.47829 3.32862      1.85852  5.59028      1.85499  17.6717     348.955     7.15185     168.955     
1 1 1 5  9  46 o 37.6294 3.76866 8.19942      2.13248  8.42056      2.11213  33.8921     30.4641     5.12871     30.4641     
1 1 1 5  9  47 o 22.7101 4.85065 2.9777       2.01555  3.39608      1.69282  12.5028     133.957     9.00883     313.957     
1 1 1 5  9  48 o 20.4844 4.3138  -0.763834    1.93925  4.72155      1.79191  12.058      16.9671     0.198609    196.967     
1 1 1 5  9  49 o 45.4537 3.28332 11.1684      2.23762  12.9676      2.28557  36.1421     228.515     3.70776     48.515      
1 1 1 5  9  50 o 17.0893 4.83237 -0.486424    1.97748  2.56454      2.12289  4.52957     205.673     13.1497     25.6735     
1 1 1 5  9  51 o 15.9304 4.78068 1.12877      2.07952  0.391625     2.01152  5.83652     207         5.68774     27.0001     
1 1 1 5  9  52 o 26.1015 4.77878 6.90736      2.09553  2.47063      2.11368  25.4433     68.2617     12.7086     68.2617     
1 1 1 5  9  53 o 21.0908 5.09373 3.56681      2.00575  2.61989      1.99802  15.7276     233.173     8.06462     233.173     
1 1 1 5  9  54 o 16.2391 4.68789 0.600464     1.96272  1.92073      1.83167  7.51962     60.2539     3.83274     240.254     
1 1 1 5  9  55 o 25.441  5.11627 5.46456      2.05894  4.23838      2.19579  14.1627     274.731     12.401      94.7305     
1 1 1 5  9  56 o 21.308  4.92671 4.87941      1.99381  1.83626      2.04     16.0555     326.875     0.322322    326.875     
1 1 1 5  9  57 o 23.9558 5.15458 4.81258      2.04621  4.27378      2.11036  21.6949     70.1009     9.0079      70.1009     
1 1 1 5  9  58 o 14.8313 4.54722 1.63535      1.92862  0.153303     1.98844  6.33639     237.649     6.0548      57.6491     
1 1 1 5  9  59 o 13.8792 4.37792 1.74111      1.99253  -1.79338     2.09084  1.95294     5.98804     2.49317     185.988     
1 1 1 5  9  60 o 14.6561 4.55213 0.517553     1.99237  1.37696      1.98686  3.09991     210.387     3.44113     30.3867     
1 1 1 5  9  61 o 28.6614 5.31518 5.83679      2.66942  9.04019      2.35282  27.0078     293.311     11.1992     293.311     
1 1 1 5  9  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  10 0  o 669.257 1.93357 2438.98      19.9262  2438.98      19.9262  520.516     90          199.431     270         
1 1 1 5  10 1  o 408.966 1.86606 920.176      11.7621  901.474      11.7406  300.37      331.76      148.569     151.76      
1 1 1 5  10 2  o 355.555 1.91968 709.073      10.8835  668.118      10.1395  288.893     153.956     70.1738     333.956     
1 1 1 5  10 3  o 47.722  2.38803 11.1186      1.738    13.8913      1.73052  80.7551     113.144     213.903     113.144     
1 1 1 5  10 4  o 200.318 1.93094 218.089      6.15734  218.961      5.74745  206.954     66.5301     74.9153     66.5301     
1 1 1 5  10 5  o 441.879 1.87594 1043.69      12.7609  1083.12      12.7654  397.866     132.134     12.556      312.134     
1 1 1 5  10 6  o 348.408 1.99528 656.585      10.7124  665.574      10.6968  333.085     192.692     35.5127     192.692     
1 1 1 5  10 7  o 281.966 2.05125 446.689      9.24987  419.507      8.56484  250.256     187.337     3.82201     7.33747     
1 1 1 5  10 8  o 299.752 2.03906 509.346      9.79222  469.743      9.03569  219.545     85.6184     101.14      265.618     
1 1 1 5  10 9  o 254.775 1.87395 361.006      7.60277  346.068      7.10079  220.181     156.564     9.82952     336.564     
1 1 1 5  10 10 o 154.126 1.92751 125.475      4.41532  133.328      4.73504  122.026     104.078     6.46558     104.078     
1 1 1 5  10 11 o 213.425 2.05955 249.015      6.51753  247.172      7.00911  196.586     291.702     29.069      291.702     
1 1 1 5  10 12 o 200.125 2.13033 219.094      6.56612  217.207      6.56389  114.883     117.659     120.249     297.659     
1 1 1 5  10 13 o 110.878 2.09007 71.0855      3.57873  63.0628      3.54436  63.3012     237.689     21.5817     57.6893     
1 1 1 5  10 14 o 119.057 2.09874 69.8764      3.83805  84.9773      3.82419  88.3948     275.081     26.0187     275.081     
1 1 1 5  10 15 o 303.191 1.99519 497.607      9.3121   503.914      9.31803  258.981     353.508     29.586      173.508     
1 1 1 5  10 16 o 174.406 1.97654 157.443      5.10211  174.178      5.51717  165.934     301.119     30.5187     301.119     
1 1 1 5  10 17 o 152.943 1.92972 131.346      4.54408  123.584      4.54239  132.598     201.864     1.4344      201.864     
1 1 1 5  10 18 o 125.699 2.06579 82.9473      3.99204  89.3009      4.00142  118.649     13.3372     30.6898     13.3372     
1 1 1 5  10 19 o 143.454 2.05459 108.363      4.53262  115.992      4.54105  129.484     359.961     11.5834     359.961     
1 1 1 5  10 20 o 363.292 2.02021 710.643      11.2922  727.939      11.3102  383.539     265.548     107.392     265.548     
1 1 1 5  10 21 o 144.343 1.94259 114.14       4.32451  112.952      4.31116  116.918     81.5875     19.7433     261.588     
1 1 1 5  10 22 o 140.212 2.01997 105.04       4.48967  109.293      4.22227  92.9514     256.827     60.9721     76.827      
1 1 1 5  10 23 o 68.833  2.32772 28.6429      2.46476  23.2904      2.43777  38.6329     262.857     20.702      82.8569     
1 1 1 5  10 24 o 255.466 2.03055 359.469      7.99106  352.148      7.98434  230.287     308.966     1.27775     308.966     
1 1 1 5  10 25 o 255.785 1.90845 347.404      7.50804  366.037      7.52247  261.963     28.1857     65.1569     28.1857     
1 1 1 5  10 26 o 150.993 1.96066 124.593      4.55851  124.015      4.55905  144.362     120.533     23.8248     120.533     
1 1 1 5  10 27 o 83.8779 2.14657 37.0746      2.75891  39.7958      2.77497  70.0298     293.024     2.53484     293.024     
1 1 1 5  10 28 o 248.19  2.06172 337.548      7.8812   334.358      7.87787  243.572     325.375     41.9125     325.375     
1 1 1 5  10 29 o 73.8334 2.7704  28.1203      3.3865   31.6524      2.81978  59.5903     33.2272     1.24499     33.227      
1 1 1 5  10 30 o 177.7   2.20238 171.023      6.2526   173.613      5.78774  184.979     289.121     55.8043     289.121     
1 1 1 5  10 31 o 62.2534 2.46997 21.0628      2.3612   21.4043      2.35523  29.1882     156.687     43.1101     336.687     
1 1 1 5  10 32 o 149.56  2.55698 122.398      5.88879  122.128      5.88898  156.412     346.977     49.4802     346.977     
1 1 1 5  10 33 o 103.006 2.47868 58.4542      3.92591  57.7147      3.92579  99.8638     28.007      21.1206     28.007      
1 1 1 5  10 34 o 83.2472 2.41805 41.8914      3.09519  34.255       3.06937  83.6306     118.66      27.1053     118.66      
1 1 1 5  10 35 o 37.3088 4.13196 5.11654      2.18042  11.195       2.21143  14.7347     143.379     19.8524     323.379     
1 1 1 5  10 36 f 56.1301 2.67457 17.1438      2.21512  17.6059      2.38016  39.4803     96.6855     0           0           
1 1 1 5  10 37 o 90.1432 2.35929 42.9412      3.01316  46.3787      3.52118  91.1757     278.362     27.5339     278.362     
1 1 1 5  10 38 o 28.6986 4.36493 5.25438      1.66111  4.30777      2.07788  13.6255     45.0273     4.59452     225.027     
1 1 1 5  10 39 o 69.3943 2.52143 25.6835      2.67959  27.5707      2.68874  66.0522     315.235     13.0165     315.235     
1 1 1 5  10 40 o 47.0124 2.79374 11.756       2.00352  12.9263      1.99988  38.7489     221.449     1.33335     41.4494     
1 1 1 5  10 41 o 59.3806 2.53483 20.3133      2.29745  18.8794      2.31341  43.748      331.429     14.479      151.429     
1 1 1 5  10 42 o 30.5304 3.85126 4.29284      1.71851  6.69846      1.73836  16.66       259.936     15.2829     79.9359     
1 1 1 5  10 43 o 84.2775 2.47813 42.3121      3.10823  36.8098      3.28179  69.7676     335.747     6.53663     155.747     
1 1 1 5  10 44 o 42.2138 3.5564  11.5736      2.47307  9.04139      2.0658   40.2314     299.647     10.6752     299.647     
1 1 1 5  10 45 o 37.9487 3.71934 10.3487      2.06229  6.65684      2.06817  24.364      139.591     15.2555     319.591     
1 1 1 5  10 46 o 28.7299 4.85493 4.96325      2.10284  5.37564      2.13544  22.7596     41.3308     16.8326     41.3308     
1 1 1 5  10 47 o 44.115  3.17427 11.7736      2.17699  10.7652      2.07571  34.6338     67.1427     4.52749     247.143     
1 1 1 5  10 48 o 78.4043 2.48615 34.9963      3.10537  34.4128      2.87956  80.75       2.49032     27.7829     2.49032     
1 1 1 5  10 49 o 14.1805 4.42582 0.70592      1.9254   -1.33564     1.97441  1.77396     192.219     4.84457     12.2186     
1 1 1 5  10 50 o 17.4174 4.91916 0.858004     1.85747  2.10829      2.14755  6.37357     118.086     9.66669     298.086     
1 1 1 5  10 51 o 16.8345 4.79916 2.29644      1.9272   -0.0987173   2.14002  8.5036      113.047     3.22566     293.048     
1 1 1 5  10 52 o 14.6005 4.63896 -1.35729     2.43385  0.708462     2.06448  5.45833     299.642     7.13389     119.642     
1 1 1 5  10 53 o 14.4857 4.47345 -0.681504    1.82742  1.29017      2.01791  3.61364     104.985     1.22421     284.985     
1 1 1 5  10 54 o 15.372  4.33211 2.90153      1.86388  -2.25844     1.84808  7.81711     341.999     1.02742     161.999     
1 1 1 5  10 55 o 17.3465 4.81556 1.45987      1.90325  2.41787      1.89228  11.9462     49.5406     0.536264    49.5407     
1 1 1 5  10 56 o 13.4192 4.26168 -0.69329     1.90382  0.788065     1.83237  3.84267     96.6004     0.440989    276.6       
1 1 1 5  10 57 o 21.3009 5.14336 3.15987      2.01862  4.19977      2.06215  16.0911     77.093      1.6514      77.093      
1 1 1 5  10 58 o 19.2877 5.20879 3.61997      2.24396  2.51111      2.07906  10.7382     170.985     4.86246     350.985     
1 1 1 5  10 59 o 14.558  4.59681 0.774466     2.04558  0.695664     2.15799  1.73114     300.691     3.20434     120.691     
1 1 1 5  10 60 o 15.2867 4.77603 0.49778      2.08015  2.26606      2.35278  5.48524     153.304     2.90742     333.304     
1 1 1 5  10 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  11 0  o 517.824 1.88693 1460.18      15.0454  1460.18      15.0454  451.337     90          52.5557     270         
1 1 1 5  11 1  o 696.988 1.94268 2659.92      20.8769  2631.37      20.824   715.476     248.125     153.473     248.125     
1 1 1 5  11 2  o 65.3929 2.26802 23.196       2.18052  23.4985      2.37033  12.1879     337.657     60.6002     337.657     
1 1 1 5  11 3  o 63.4624 2.18131 22.4465      2.12745  21.5329      2.12253  51.2004     278.714     172.685     278.714     
1 1 1 5  11 4  o 221.798 2.06514 266.398      6.7827   269.459      7.31674  155.455     260.303     77.0357     80.303      
1 1 1 5  11 5  f 232.843 1.99249 293.03       7.14652  297.521      7.14134  148.354     27.5245     0           0           
1 1 1 5  11 6  o 368.9   1.99825 710.46       11.3419  772.537      11.3461  357.444     2.68446     51.4679     2.68446     
1 1 1 5  11 7  o 601.534 1.98042 1940.18      17.7061  2001.53      18.9775  553.561     115.895     8.00141     115.895     
1 1 1 5  11 8  o 276.54  1.88808 417.201      8.32343  415.804      7.7476   298.257     61.7043     112.706     61.7043     
1 1 1 5  11 9  o 257.956 2.31536 358.964      8.86232  366.026      9.52587  244.269     236.074     34.7702     236.074     
1 1 1 5  11 10 o 598.63  2.34654 1968.61      20.614   1936.03      22.5853  591.68      220.108     90.2585     220.108     
1 1 1 5  11 11 o 458.268 2.45131 1153.48      18.9646  1135.03      15.4834  461.303     7.62865     90.0302     7.62865     
1 1 1 5  11 12 o 86.3757 2.32384 34.8555      3.01569  47.0155      3.11655  1.61437     305.519     134.683     305.519     
1 1 1 5  11 13 o 292.68  1.9552  467.509      8.80568  465.765      8.81818  279.006     169.104     32.3292     169.104     
1 1 1 5  11 14 o 286.414 2.05164 436.63       9.37668  457.338      8.68787  238.22      40.7502     40.2315     220.75      
1 1 1 5  11 15 o 83.6292 2.08277 38.0338      2.57664  38.2741      2.77619  45.5189     257.27      27.9936     77.2705     
1 1 1 5  11 16 o 167.162 1.89717 154.925      4.8859   149.583      4.88012  70.3172     27.25       156.543     207.25      
1 1 1 5  11 17 o 266.203 1.95034 396.15       7.73162  376.24       8.23328  302.536     345.048     128.637     345.048     
1 1 1 5  11 18 o 87.9826 2.15715 43.9784      2.91793  40.5407      2.91482  22.0371     68.1225     103.229     248.123     
1 1 1 5  11 19 o 172.113 2.0459  158.852      5.41821  164.074      5.42555  225.691     305.339     159.333     305.339     
1 1 1 5  11 20 o 97.0948 2.13582 49.0284      3.18385  53.9106      3.18995  66.0743     306.415     29.3724     126.415     
1 1 1 5  11 21 o 302.585 1.89111 506.434      8.81605  491.628      8.80578  296.762     175.733     48.2809     175.733     
1 1 1 5  11 22 o 94.2072 2.10889 47.6152      3.13853  49.264       2.96629  83.1597     199.773     19.0877     199.773     
1 1 1 5  11 23 o 90.1564 2.20708 46.5085      3.06556  42.2998      3.04891  81.8058     320.201     30.9471     320.201     
1 1 1 5  11 24 o 122.433 2.12249 80.8015      3.99742  82.6894      4.00549  82.6801     311.584     47.0652     131.584     
1 1 1 5  11 25 o 115.275 2.09084 74.1456      3.58173  70.8569      3.82626  72.4875     244.284     55.4118     64.2836     
1 1 1 5  11 26 o 195.287 1.92944 210.609      5.80686  205.288      5.79697  228.677     341.929     111.794     341.929     
1 1 1 5  11 27 o 57.2661 2.51047 17.2689      2.1925   18.6829      2.21136  12.7052     160.284     66.5384     340.284     
1 1 1 5  11 28 o 93.0342 2.15237 45.3699      3.07564  49.2072      3.0794   48.0377     310.495     63.9099     130.495     
1 1 1 5  11 29 o 96.9866 2.1342  53.8238      3.19011  48.9828      3.17234  104.485     312.032     50.9404     312.032     
1 1 1 5  11 30 o 90.0444 2.35308 40.7772      3.2227   48.0373      3.27921  51.284      288.726     52.1747     108.726     
1 1 1 5  11 31 o 178.959 2.38864 170.667      6.29963  179.344      6.86427  190.567     276.559     64.866      276.559     
1 1 1 5  11 32 o 118.099 2.30043 75.1301      4.32597  77.44        4.02208  106.186     319.812     5.90353     319.812     
1 1 1 5  11 33 o 61.6089 3.1306  21.4925      3.10816  20.3964      2.7902   45.1558     273.756     10.4228     93.7557     
1 1 1 5  11 34 o 85.7383 3.10567 39.0009      3.84389  42.0521      4.32871  74.5596     248.087     3.47736     248.087     
1 1 1 5  11 35 o 25.1897 4.86605 4.38781      1.89264  2.88902      2.05231  0.895838    148.588     13.8253     328.588     
1 1 1 5  11 36 o 42.9523 2.94509 9.60518      1.91014  10.9295      1.93104  31.2744     227.854     1.71996     47.8535     
1 1 1 5  11 37 o 46.186  2.80418 12.0416      1.96427  11.6553      1.98498  35.1023     74.4357     4.00771     254.436     
1 1 1 5  11 38 o 49.1922 2.65755 13.3838      2.00179  13.4823      1.99389  37.3254     31.535      7.50944     211.535     
1 1 1 5  11 39 o 38.2282 3.18388 8.33399      1.83969  8.15914      1.83684  23.199      56.8735     16.6094     236.873     
1 1 1 5  11 40 o 32.1597 3.81288 5.53145      1.90174  6.44428      1.71717  18.5892     289.025     14.0789     109.025     
1 1 1 5  11 41 o 53.7069 2.99999 15.8696      2.56665  16.5595      2.34241  41.1694     283.189     8.84493     103.189     
1 1 1 5  11 42 o 26.2916 4.32866 4.56274      1.65618  3.70867      1.79288  14.9892     231.173     9.3454      51.1725     
1 1 1 5  11 43 o 87.0819 2.48486 45.1896      3.20108  39.4093      3.41711  97.8734     269.503     45.964      269.503     
1 1 1 5  11 44 o 73.406  2.6434  31.1971      2.83894  29.2738      3.09918  65.6582     235.716     4.9258      235.716     
1 1 1 5  11 45 o 30.3127 4.17526 5.53878      1.959    5.56579      1.7966   22.8385     69.2587     3.0792      249.259     
1 1 1 5  11 46 o 45.5436 3.31154 13.1574      2.29914  10.9734      2.26438  40.3603     275.877     4.87347     275.877     
1 1 1 5  11 47 f 54.974  2.8837  17.3976      2.33199  17.2048      2.51008  34.9583     233.777     0           0           
1 1 1 5  11 48 o 17.9945 4.85104 2.26723      1.90671  1.02018      1.8828   5.84796     305.726     0.821164    125.726     
1 1 1 5  11 49 o 23.0341 5.06442 4.93556      2.03759  1.78819      2.29102  16.2879     167.886     1.09139     167.886     
1 1 1 5  11 50 o 27.3533 5.39256 4.83228      2.01273  5.70932      2.71593  23.0665     199.771     4.80354     199.771     
1 1 1 5  11 51 o 39.4259 4.3325  10.5584      2.53563  9.56745      2.54712  38.7051     186.016     12.7619     186.016     
1 1 1 5  11 52 o 31.8462 4.95659 8.14469      2.49616  5.99514      2.24686  34.3991     75.3913     21.3804     75.3913     
1 1 1 5  11 53 o 14.3779 4.45556 0.56253      1.94911  0.299812     1.82093  5.07151     74.7825     2.60813     254.783     
1 1 1 5  11 54 o 15.4841 4.53835 -0.371329    1.8728   2.23055      1.88443  8.50296     213.032     3.85081     33.0323     
1 1 1 5  11 55 f 20.0582 4.71267 4.85819      1.96058  0.624888     1.98438  19.7388     277.574     0           0           
1 1 1 5  11 56 o 22.0185 5.30154 4.78136      2.26412  3.17583      2.08095  13.6324     215.97      5.87096     35.9702     
1 1 1 5  11 57 o 14.5601 4.53789 1.14645      2.01484  0.408777     1.95942  4.22988     313.794     10.8301     133.794     
1 1 1 5  11 58 o 12.7886 4.18126 0.390723     1.96521  -1.10343     1.94904  0.641782    118.767     8.74997     298.767     
1 1 1 5  11 59 o 25.1483 5.45119 6.36542      2.4324   4.81053      2.20806  19.6971     67.3689     4.89787     67.3689     
1 1 1 5  11 60 o 13.7583 4.44259 0.602619     2.06291  0.613085     2.12731  4.60667     300.174     1.36688     120.174     
1 1 1 5  11 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  12 0  o 437.746 1.8737  1043.56      12.6292  1043.56      12.6292  617.725     270         432.132     270         
1 1 1 5  12 1  o 305.544 1.85781 491.878      8.72899  525.312      8.74669  233.319     251.856     80.0656     71.8557     
1 1 1 5  12 2  o 74.684  2.20355 29.0514      2.52707  31.8526      2.52601  0.495793    117.47      4.63451     297.47      
1 1 1 5  12 3  o 376.29  1.99361 799.887      11.5678  743.093      11.5258  399.233     62.5078     123.484     62.5077     
1 1 1 5  12 4  o 291.023 1.98461 465.856      8.89862  456.795      8.88862  301.15      181.598     87.9481     181.598     
1 1 1 5  12 5  o 253.543 2.15255 332.593      8.41633  368.215      8.37345  193.615     352.693     62.1219     172.693     
1 1 1 5  12 6  o 148.67  1.94702 122.168      4.60683  118.628      4.30664  111.662     179.895     18.5326     359.895     
1 1 1 5  12 7  o 227.049 2.08332 280.295      7.06749  281.346      7.49485  252.146     20.4179     114.687     20.4179     
1 1 1 5  12 8  o 238.647 2.38266 304.528      8.75153  316.145      8.7584   210.762     251.388     0.202295    251.385     
1 1 1 5  12 9  o 241.96  2.38792 304.64       8.87858  333.693      8.90307  245.692     335.156     65.3027     335.156     
1 1 1 5  12 10 o 272.192 2.37953 407.102      9.97876  400.342      9.96816  308.713     70.2382     135.067     70.2382     
1 1 1 5  12 11 o 211.611 2.38888 252.378      7.7934   235.811      7.76941  175.404     94.6449     24.2149     274.645     
1 1 1 5  12 12 o 142.669 2.25018 116.237      4.94523  105.723      4.93402  86.1353     194.324     74.4821     14.3244     
1 1 1 5  12 13 o 242.779 2.40376 318.896      8.98921  323.631      8.98341  222.946     246.537     12.3607     246.537     
1 1 1 5  12 14 o 337.758 2.39701 635.973      12.4777  607.876      12.4522  329.665     152.349     49.8617     152.349     
1 1 1 5  12 15 o 308.662 2.03714 507.18       9.34203  531.339      10.0232  302.041     13.0025     48.2426     13.0025     
1 1 1 5  12 16 o 129.163 2.14575 88.4816      4.39371  93.4128      4.1282   79.0252     213.596     66.2098     33.596      
1 1 1 5  12 17 o 147.945 2.10747 116.911      4.81373  121.719      4.78665  140.233     331.211     23.6176     331.211     
1 1 1 5  12 18 o 28.0753 3.35666 5.85901      1.37581  3.17164      1.36336  27.5759     25.5086     75.3795     25.5086     
1 1 1 5  12 19 o 124.551 2.0828  83.4921      3.99435  85.6478      3.99455  105.489     167.288     1.58353     347.288     
1 1 1 5  12 20 o 99.2022 2.14961 51.726       3.27092  55.7262      3.28592  93.3357     344.33      31.8143     344.33      
1 1 1 5  12 21 o 176.381 1.99768 167.038      5.57884  172.188      5.26247  155.635     71.1148     1.04576     71.1156     
1 1 1 5  12 22 o 222.254 1.97225 270.854      6.96156  267.76       6.53384  231.382     175.772     68.5819     175.772     
1 1 1 5  12 23 o 93.4357 2.21947 42.37        3.17354  53.2849      3.17199  76.8922     307.522     0.269028    307.522     
1 1 1 5  12 24 o 135.564 2.1106  100.421      4.40691  100.037      4.40499  109.341     120.665     18.3309     300.665     
1 1 1 5  12 25 o 114.213 2.04792 70.1499      3.58701  72.2309      3.61045  102.611     20.8966     8.72564     20.8966     
1 1 1 5  12 26 o 155.109 1.97711 130.157      4.72578  132.247      4.71861  165.638     82.4186     60.4095     82.4186     
1 1 1 5  12 27 o 39.9869 3.02165 8.1409       1.81981  9.56846      1.83378  0.705435    29.3372     50.8653     209.337     
1 1 1 5  12 28 o 45.1766 2.83416 11.041       1.94498  11.4473      1.95709  18.84       317.641     11.3677     137.641     
1 1 1 5  12 29 o 115.321 2.16919 70.003       3.96032  75.2866      3.72319  126.024     357.469     55.2672     357.469     
1 1 1 5  12 30 o 205.781 2.09213 231.895      6.62851  230.498      6.63053  215.789     284.337     67.515      284.337     
1 1 1 5  12 31 o 59.2334 2.89043 18.202       2.60939  20.4515      2.62478  56.0939     315.329     22.6608     315.329     
1 1 1 5  12 32 o 135.252 2.49501 100.623      4.89525  99.7244      5.47268  116.152     101.73      4.37002     281.73      
1 1 1 5  12 33 o 64.879  2.72504 24.189       2.81446  22.1758      2.60721  43.7917     59.2539     19.5989     239.254     
1 1 1 5  12 34 o 106.465 2.47401 58.8299      4.04352  65.7256      4.04812  95.9022     103.018     7.84358     103.018     
1 1 1 5  12 35 o 18.2439 4.60587 2.22032      1.65615  0.858434     1.70053  12.9239     282.199     44.4016     282.199     
1 1 1 5  12 36 o 135.316 2.08782 99.972       4.46726  100.864      4.22911  123.046     91.1188     9.55744     91.1188     
1 1 1 5  12 37 o 81.6773 2.31764 38.8112      3.01962  34.7756      2.79985  88.0098     99.3405     36.0861     99.3405     
1 1 1 5  12 38 o 42.5982 3.55623 9.95862      2.56523  10.631       1.91697  30.8306     110.166     8.77817     290.166     
1 1 1 5  12 39 o 105.476 2.20649 64.8476      3.71531  58.0174      3.44601  104.746     222.029     26.4823     222.029     
1 1 1 5  12 40 o 58.1304 2.53196 19.1061      2.25794  18.5177      2.25263  43.254      7.56556     12.5077     187.566     
1 1 1 5  12 41 o 33.14   3.64728 6.63916      1.82758  6.09402      1.77333  26.6084     274.32      1.50361     274.32      
1 1 1 5  12 42 o 44.8296 3.2773  13.0855      2.49334  9.94846      1.97579  46.0744     291.657     18.7659     291.657     
1 1 1 5  12 43 o 60.2591 2.62495 22.0466      2.37715  18.7713      2.45023  55.0393     138.842     7.33817     138.842     
1 1 1 5  12 44 o 47.5382 3.01179 12.472       2.18836  13.3405      2.17134  43.2385     311.251     6.566       311.251     
1 1 1 5  12 45 o 23.9225 4.5513  5.19097      1.81276  1.86395      1.87176  17.6048     197.241     2.17216     197.241     
1 1 1 5  12 46 o 13.2023 4.11013 0.467329     1.64326  -1.10252     1.68336  0.473432    311.875     3.32794     131.875     
1 1 1 5  12 47 o 34.0682 4.59757 5.48546      2.29927  9.25073      2.31987  27.5001     179.12      1.08548     179.12      
1 1 1 5  12 48 o 51.0715 3.49913 16.0857      2.63595  14.9618      2.78433  44.5809     254.677     4.1106      254.677     
1 1 1 5  12 49 o 15.6187 4.48359 1.52708      1.68536  0.409704     1.74287  5.60982     129.763     5.49994     309.763     
1 1 1 5  12 50 o 24.2728 5.52204 4.19881      2.40478  4.35493      2.28691  19.0451     36.2755     1.77832     36.2755     
1 1 1 5  12 51 o 37.6479 4.45325 12.1232      2.72303  6.88296      2.23751  45.0279     202.686     32.5385     202.686     
1 1 1 5  12 52 o 18.7754 4.97503 3.04198      1.88135  1.40875      2.1763   10.0112     322.528     5.5701      142.528     
1 1 1 5  12 53 o 16.6183 4.83255 -0.231831    2.05345  2.80702      2.15631  6.61515     299.76      3.0222      299.76      
1 1 1 5  12 54 o 21.2079 5.16766 1.87554      2.151    4.96398      2.21085  14.5084     315.52      2.65074     135.52      
1 1 1 5  12 55 o 28.1908 5.23069 6.01523      2.14505  6.42838      2.45721  22.5692     268.612     1.29539     268.612     
1 1 1 5  12 56 o 23.0053 5.22742 2.7863       2.08233  6.07355      2.31987  16.5661     318.051     1.10711     138.051     
1 1 1 5  12 57 o 16.5791 4.84176 1.87317      1.99439  1.86398      2.01981  6.84943     197.33      4.15305     17.33       
1 1 1 5  12 58 o 17.8872 4.9917  3.32836      2.06404  1.54418      2.11732  7.48594     170.468     3.97949     350.468     
1 1 1 5  12 59 o 17.4911 4.6158  -1.33364     2.07644  4.9871       2.10646  9.93444     148.566     0.188783    148.566     
1 1 1 5  12 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  13 0  o 156.216 2.20415 133.066      5.29743  133.066      5.29743  22.8538     270         239.348     90          
1 1 1 5  13 1  f 245.122 2.06477 322.073      8.0758   332.624      7.48956  194.271     245.715     0           0           
1 1 1 5  13 2  o 363.636 1.99022 705.334      11.1388  735.492      11.1466  351.296     241.197     48.6594     241.197     
1 1 1 5  13 3  o 173.218 2.00803 161.746      5.35875  165.169      5.35301  126.078     333.762     47.3225     153.762     
1 1 1 5  13 4  o 72.0948 2.07104 25.7439      2.28444  31.1099      2.28903  11.1779     284.404     68.5643     104.404     
1 1 1 5  13 5  o 128.359 1.91021 85.2678      3.76891  94.3539      3.77557  122.745     250.864     50.8263     250.864     
1 1 1 5  13 6  o 219.468 1.97685 269.208      6.68571  255.684      6.67305  203.969     325.415     20.9636     325.415     
1 1 1 5  13 7  o 73.6602 2.68809 27.0955      3.0185   32.3314      3.04252  5.6656      4.96811     124.662     4.96811     
1 1 1 5  13 8  o 363.61  2.52079 732.084      14.9088  709.284      13.2965  386.016     84.8747     117.867     84.8747     
1 1 1 5  13 9  o 229.909 2.2819  286.013      7.71093  290.127      8.4351   210.116     240.624     12.23       240.624     
1 1 1 5  13 10 o 133.703 2.44675 94.4188      5.02415  100.651      5.03909  81.4885     163.947     66.7239     343.947     
1 1 1 5  13 11 o 339.891 2.42951 637.707      13.9513  621.883      11.3806  285.444     290.383     41.4834     110.383     
1 1 1 5  13 12 o 345.276 2.45012 648.055      14.2922  651.847      11.6151  288.342     289.501     45.5497     109.501     
1 1 1 5  13 13 o 243.585 2.40574 335.861      9.02987  311.351      9.00881  228.388     3.95975     22.1988     3.95975     
1 1 1 5  13 14 o 131.856 2.26518 91.233       4.58473  98.4564      4.6058   130.358     316.578     37.4291     316.578     
1 1 1 5  13 15 o 104.894 2.35041 67.7469      3.78443  52.8222      3.75767  32.384      112.273     115.606     292.273     
1 1 1 5  13 16 o 197.731 2.31427 211.54       6.71825  214.84       7.36469  161.988     26.048      26.5703     206.048     
1 1 1 5  13 17 o 160.68  2.11289 153.556      5.73855  128.512      4.72727  114.081     314.641     54.0458     134.641     
1 1 1 5  13 18 o 203.667 2.06434 225.9        6.73512  226.389      6.20182  190.416     11.7036     21.1559     11.7037     
1 1 1 5  13 19 o 67.596  2.3081  26.6958      2.39369  23.3196      2.38891  13.8588     38.7353     77.4412     218.735     
1 1 1 5  13 20 o 111.752 2.15897 72.294       3.67545  64.1385      3.73423  63.0408     76.5576     65.2794     256.558     
1 1 1 5  13 21 o 121.954 1.98638 81.311       3.7264   80.8728      3.73423  108.849     236.957     9.71419     236.957     
1 1 1 5  13 22 o 253.321 1.96357 360.331      7.90569  339.618      7.41519  239.883     62.6229     28.7376     62.6229     
1 1 1 5  13 23 o 39.1731 3.02544 8.52446      1.79724  8.44399      1.79349  1.25207     129.221     53.1269     129.221     
1 1 1 5  13 24 o 66.5757 2.45216 21.6731      2.4783   26.9854      2.51232  41.344      350.672     22.4622     170.672     
1 1 1 5  13 25 o 84.6067 2.24288 38.4353      2.82568  39.7978      3.00788  71.6305     160.185     4.96386     160.185     
1 1 1 5  13 26 o 94.1485 2.16555 52.018       3.15098  44.9486      3.10993  86.3995     3.24019     16.9469     3.24019     
1 1 1 5  13 27 o 127.605 2.03608 87.3322      3.98155  90.3685      4.01983  143.211     116.99      68.5015     116.99      
1 1 1 5  13 28 o 142.702 2.39388 108.791      4.73718  113.8        5.74991  128.049     355.979     6.7262      355.979     
1 1 1 5  13 29 o 115.122 2.23966 72.4009      3.97153  72.5108      3.96163  123.141     302.163     47.8913     302.163     
1 1 1 5  13 30 o 40.67   3.38457 7.24066      1.95808  11.4158      2.14377  23.3531     359.457     1.82559     179.457     
1 1 1 5  13 31 o 158.426 2.29679 139.619      5.60718  135.02       5.59816  160.863     264.065     45.0356     264.065     
1 1 1 5  13 32 o 98.9232 2.40088 51.4046      3.77435  55.985       3.50739  96.6688     267.761     24.9268     267.761     
1 1 1 5  13 33 o 66.8702 2.87883 23.7908      2.84918  25.5947      3.05252  45.3525     293.164     21.205      113.164     
1 1 1 5  13 34 o 55.6607 2.58469 16.5159      2.19323  17.7008      2.21146  37.1142     272.056     17.6489     92.0556     
1 1 1 5  13 35 o 48.7785 3.14159 12.5089      2.40325  14.0702      2.24264  34.4687     339.333     10.7889     159.333     
1 1 1 5  13 36 o 114.637 2.33926 74.2553      3.94436  70.5718      4.28724  109.269     221.85      19.4012     221.85      
1 1 1 5  13 37 o 69.126  2.36932 25.2308      2.50167  27.632       2.52431  50.9998     211.371     16.6661     31.3707     
1 1 1 5  13 38 o 16.1104 4.34669 0.251823     1.5012   1.74605      1.58849  0.991768    275.409     7.3539      95.4091     
1 1 1 5  13 39 f 21.5301 4.55617 3.21744      1.70924  2.24511      1.56585  17.0386     82.5876     0           0           
1 1 1 5  13 40 o 23.2919 4.42484 3.31498      1.62776  3.18575      1.61393  12.7227     341.496     2.63132     341.496     
1 1 1 5  13 41 o 22.7267 4.54843 3.71361      1.727    2.50785      1.63027  13.7634     268.532     2.26631     88.5315     
1 1 1 5  13 42 o 33.7472 4.14658 5.15746      2.15318  8.53514      1.87723  34.4212     219.594     16.2187     219.594     
1 1 1 5  13 43 o 21.166  4.71196 3.22535      1.78479  2.19159      1.66915  5.40675     181.13      21.9236     1.13021     
1 1 1 5  13 44 o 40.9886 3.55193 9.42994      2.10042  10.2778      2.29068  24.7985     289.754     18.5684     109.754     
1 1 1 5  13 45 o 25.7922 4.57541 3.94049      1.80178  4.43147      1.82907  16.0126     50.8804     6.81395     230.88      
1 1 1 5  13 46 o 16.7617 4.6657  0.104485     2.01445  1.96293      1.7088   3.77444     351.233     12.2943     171.233     
1 1 1 5  13 47 o 21.3631 5.38665 3.41611      2.26456  2.34696      2.24082  9.68452     153.767     11.0738     333.767     
1 1 1 5  13 48 o 25.711  5.01079 4.76527      2.05192  4.1993       2.04953  15.4224     191.202     8.72699     11.2017     
1 1 1 5  13 49 o 16.5216 4.7493  -0.981413    2.06697  2.63595      2.0782   8.63681     77.9711     0.975529    257.971     
1 1 1 5  13 50 o 32.0899 4.74019 7.76137      2.06724  6.17151      2.45525  26.2713     216.481     1.30833     216.481     
1 1 1 5  13 51 o 16.5326 4.79637 1.22964      1.85418  1.57584      2.04895  6.25049     272.211     0.135007    272.211     
1 1 1 5  13 52 o 13.5023 4.2646  1.0933       1.91856  -1.45311     1.83375  4.0133      231.612     0.709579    51.612      
1 1 1 5  13 53 o 24.7472 5.21121 4.89607      2.01197  4.55658      2.28443  16.7537     257.688     5.01437     77.6875     
1 1 1 5  13 54 o 12.906  4.2383  -0.364882    2.03169  -0.64476     2.01711  4.02704     316.26      3.12583     136.26      
1 1 1 5  13 55 f 51.2557 3.4723  19.2507      2.82032  14.8631      2.58055  28.2173     325.463     0           0           
1 1 1 5  13 56 o 13.4387 4.36682 0.250553     1.92066  -0.351339    2.24118  1.9015      260.058     11.5008     80.058      
1 1 1 5  13 57 o 17.6767 4.80947 3.93666      2.02952  0.0464514    2.15346  6.14238     168.485     2.01626     348.485     
1 1 1 5  13 58 o 17.2348 4.88708 3.70753      2.0514   0.527944     2.30059  7.3129      289.242     0.844929    289.242     
1 1 1 5  13 59 f 19.3681 5.38907 4.35399      2.35898  2.99591      2.43396  17.503      113.852     0           0           
1 1 1 5  14 0  o 17.1285 4.89813 2.22491      1.26207  2.22491      1.26207  30.739      270         65.6538     270         
1 1 1 5  14 1  o 176.4   2.16751 164.062      5.87841  175.168      5.89279  220.1       303.921     150.595     303.921     
1 1 1 5  14 2  o 106.348 2.0804  62.293       3.40345  61.0607      3.40365  67.7115     130.105     37.438      310.105     
1 1 1 5  14 3  o 235.201 1.92284 302.665      6.73033  300.148      7.1885   212.235     189.456     7.64335     189.456     
1 1 1 5  14 4  o 127.309 1.97375 86.0708      3.74134  90.5792      3.99779  66.5924     137.819     84.5807     317.819     
1 1 1 5  14 5  o 155.751 2.01411 131.546      4.83366  132.826      4.82747  84.2718     275.598     103.646     95.5978     
1 1 1 5  14 6  o 38.5343 2.83478 9.29527      1.56442  7.14925      1.69986  11.9349     105.834     45.3857     105.834     
1 1 1 5  14 7  o 231.788 2.27506 294.812      8.49155  290.887      7.73623  238.631     61.049      67.7278     61.049      
1 1 1 5  14 8  o 135.233 2.34061 99.4359      5.07631  100.02       4.65721  151.211     239.45      83.5549     239.45      
1 1 1 5  14 9  o 57.6651 3.15541 21.0851      2.57145  15.6339      2.87771  12.4684     33.6848     48.6087     213.685     
1 1 1 5  14 10 o 441.988 2.40415 1075.07      16.3752  1055.26      16.3499  410.311     124.999     25.1688     124.999     
1 1 1 5  14 11 o 206.321 2.19413 230.581      6.97417  233.528      6.96756  211.242     294.422     58.972      294.422     
1 1 1 5  14 12 o 147.185 2.46914 115.396      5.5888   120.918      5.60172  107.081     63.1389     42.0313     243.139     
1 1 1 5  14 13 o 83.9276 2.54767 37.1429      3.11275  39.8633      3.45711  53.2159     223.181     25.689      43.1808     
1 1 1 5  14 14 o 120.762 2.30274 79.6046      4.27524  79.5609      4.28128  124.375     152.714     51.3512     152.714     
1 1 1 5  14 15 o 73.244  2.53161 31.7432      2.83402  27.0249      2.8441   42.0321     339.25      23.4314     159.25      
1 1 1 5  14 16 f 54.5232 3.05427 17.6407      2.54071  15.0819      2.53354  17.0944     242.191     0           0           
1 1 1 5  14 17 o 149.399 2.46273 124.591      5.66458  118.992      5.66456  168.202     62.0168     84.2903     62.0168     
1 1 1 5  14 18 o 98.1276 2.61164 52.2973      3.9439   52.9575      3.93451  94.1156     258.726     33.7531     258.726     
1 1 1 5  14 19 o 127.857 2.26631 88.0372      4.3791   90.3723      4.54136  106.936     163.578     5.67678     343.578     
1 1 1 5  14 20 o 120.353 2.03189 80.9348      3.87772  77.0654      3.65416  92.226      268.045     22.8104     88.0452     
1 1 1 5  14 21 o 29.8303 3.42065 5.63045      1.52524  4.38832      1.49745  18.4699     72.2857     70.2512     72.2857     
1 1 1 5  14 22 o 282.643 1.973   441.598      8.85507  429.711      8.31715  322.636     211.279     144.726     211.279     
1 1 1 5  14 23 o 156.646 2.08074 135.25       5.0251   132.451      5.01285  162.515     324.748     53.1446     324.748     
1 1 1 5  14 24 o 159.447 2.3435  141.853      5.19886  135.73       6.23665  141.162     270.937     4.21648     270.937     
1 1 1 5  14 25 o 40.1823 3.86093 10.8057      1.87635  7.38597      2.51443  7.19405     304.183     35.5261     124.183     
1 1 1 5  14 26 o 40.7994 3.05515 10.1547      1.87956  8.31361      1.88283  1.89691     43.597      64.9366     43.5969     
1 1 1 5  14 27 o 114.937 2.23962 66.8272      3.94769  77.8043      3.95573  104.406     46.8894     10.5071     46.8895     
1 1 1 5  14 28 o 26.752  4.30143 5.46899      1.77933  2.82224      1.74053  15.274      80.12       66.5929     80.12       
1 1 1 5  14 29 o 68.0906 2.51555 24.6969      2.62003  26.2077      2.6355   69.7046     230.899     33.6143     230.899     
1 1 1 5  14 30 o 132.552 2.36543 90.2448      4.80062  102.39       4.83884  116.421     158.873     3.18065     158.873     
1 1 1 5  14 31 o 180.144 2.55162 171.18       7.99072  184.948      5.91945  177.334     229.209     40.3664     229.209     
1 1 1 5  14 32 o 72.1825 2.82416 26.9767      3.3942   30.5759      2.77488  65.5608     114.311     11.252      114.311     
1 1 1 5  14 33 o 61.5253 2.64614 22.0031      2.4721   19.8402      2.51044  58.8461     6.94165     17.3715     6.94165     
1 1 1 5  14 34 o 71.3248 2.46755 25.6946      2.68557  30.5476      2.70385  89.4384     183.862     63.669      183.862     
1 1 1 5  14 35 f 38.6733 3.29181 8.34525      1.89838  8.5362       1.94364  20.6872     284.961     0           0           
1 1 1 5  14 36 o 67.8014 2.58104 27.6543      2.65959  23.4314      2.69212  50.2153     9.6274      15.3836     189.627     
1 1 1 5  14 37 o 28.5502 4.36405 6.06022      1.86328  3.66854      1.88389  7.32627     329.204     30.4409     149.204     
1 1 1 5  14 38 o 66.6693 2.43143 23.9263      2.47874  25.4763      2.4953   77.5558     56.7425     43.6829     56.7424     
1 1 1 5  14 39 o 29.1623 3.93118 5.55474      1.68554  4.47453      1.71043  21.1933     255.774     1.06487     75.7743     
1 1 1 5  14 40 o 34.5763 3.67009 9.33139      1.8328   4.88522      1.81199  19.1336     125.093     18.161      305.093     
1 1 1 5  14 41 o 12.7812 3.96669 -0.0427503   1.44531  -0.381022    1.56097  0.362964    284.307     11.9126     104.307     
1 1 1 5  14 42 o 41.9515 3.23758 10.9485      2.01734  9.36408      2.07777  45.1804     14.1238     22.2062     14.1238     
1 1 1 5  14 43 o 20.0899 4.63446 2.12938      1.65547  2.71694      1.65323  10.0302     205.017     6.52973     25.0171     
1 1 1 5  14 44 o 31.3572 4.09876 6.75589      1.89479  5.25844      1.90641  25.7541     301.456     3.07584     301.456     
1 1 1 5  14 45 o 32.7343 4.43714 5.74612      2.26022  7.61001      2.0185   23.952      109.437     3.59355     289.437     
1 1 1 5  14 46 o 19.8817 5.02072 2.28973      1.95564  2.53895      1.93229  9.16282     149.046     1.98673     149.046     
1 1 1 5  14 47 o 48.8308 3.47566 12.3589      2.68872  16.3659      2.31484  45.7455     192.769     11.129      192.769     
1 1 1 5  14 48 o 25.3724 5.33996 5.49058      2.29952  3.68305      2.25193  15.6194     264.273     8.06827     84.2727     
1 1 1 5  14 49 o 13.8041 4.33653 -1.02674     1.91451  0.757142     1.86793  4.38392     342.118     2.50104     162.118     
1 1 1 5  14 50 o 14.1574 4.34089 0.09638      1.73713  0.770344     1.77557  3.95925     164.819     4.50858     344.819     
1 1 1 5  14 51 o 38.2385 3.87499 8.70576      2.18307  10.1927      2.2405   36.5297     88.8013     11.4764     88.8013     
1 1 1 5  14 52 o 22.3629 5.22622 3.86384      2.0954   3.88508      2.0885   16.0976     36.568      1.46946     216.568     
1 1 1 5  14 53 o 25.7792 5.24935 6.1972       2.1697   4.32988      2.34686  19.542      17.0007     0.271803    197.001     
1 1 1 5  14 54 o 17.5908 5.08485 2.25466      1.95008  2.11061      2.4654   9.96407     35.2235     3.39801     215.224     
1 1 1 5  14 55 f 20.5835 5.58707 4.03194      2.39431  3.4422       2.62009  16.2442     292.945     0           0           
1 1 1 5  14 56 o 14.0986 4.50264 0.865573     2.17787  0.0248605    1.97911  1.01478     52.4728     11.3485     232.473     
1 1 1 5  14 57 o 16.4245 4.8467  2.97422      2.13601  0.788459     2.06909  5.25179     342.594     0.551188    162.594     
1 1 1 5  14 58 o 23.177  5.26958 6.22737      2.22097  3.80773      2.21447  18.8523     70.0102     4.85769     70.0102     
1 1 1 5  15 0  o 57.4742 2.38585 18.1823      2.09477  18.1823      2.09477  15.1108     90          4.78799     270         
1 1 1 5  15 1  o 211.474 1.99027 237.013      6.4757   250.528      6.48324  196.549     268.112     20.4619     268.112     
1 1 1 5  15 2  o 172.486 2.08159 162.394      5.32108  161.921      5.7286   114.203     34.8902     74.5932     214.89      
1 1 1 5  15 3  o 104.984 2.23617 59.2484      3.61182  61.0326      3.60942  66.0458     284.466     43.5556     104.466     
1 1 1 5  15 4  o 206.817 2.16105 235.542      6.88445  230.783      6.87987  190.037     31.4062     15.7563     31.4062     
1 1 1 5  15 5  o 16.3157 3.40197 0.427028     1.02597  2.29309      0.98908  35.6141     170.396     77.4892     170.396     
1 1 1 5  15 6  o 103.537 2.19685 60.2701      3.36482  56.7403      3.61758  63.8677     66.7716     45.2149     246.772     
1 1 1 5  15 7  o 257.182 2.17715 367.302      8.63134  353.912      8.6112   310.609     123.465     168.503     123.465     
1 1 1 5  15 8  o 161.298 2.42467 146.69       6.02364  137.154      6.01632  141.031     310.302     2.31952     310.302     
1 1 1 5  15 9  o 188.979 2.40373 197.943      6.99409  191.61       6.99452  150.609     253.254     30.6053     73.2541     
1 1 1 5  15 10 o 104.292 2.30642 58.0267      3.69899  60.7316      3.6986   61.0858     63.5439     52.2874     243.544     
1 1 1 5  15 11 o 107.848 2.55638 66.8943      4.24586  60.2456      4.2253   74.5932     315.199     30.4738     135.199     
1 1 1 5  15 12 o 339.349 2.40309 642.373      12.5732  614.069      12.5379  324.679     341.022     45.6017     341.022     
1 1 1 5  15 13 o 32.77   3.70662 6.7324       1.81091  5.34353      1.78965  15.8983     357.267     52.7419     357.267     
1 1 1 5  15 14 o 319.332 2.31028 563.191      10.8301  549.289      11.8535  275.507     262.104     16.4682     82.1038     
1 1 1 5  15 15 o 115.087 2.70817 73.1438      5.07073  71.6213      4.50321  99.9166     133.149     7.58555     133.149     
1 1 1 5  15 16 o 41.9795 3.81899 9.85783      2.54382  9.74791      2.2714   11.4893     70.1921     77.9051     70.1921     
1 1 1 5  15 17 o 74.4015 2.83317 31.647       3.21222  29.0173      3.24915  49.9896     244.424     16.7745     64.4244     
1 1 1 5  15 18 o 172.76  2.47337 160.917      6.57129  164.875      6.58808  153.999     247.838     5.6836      247.838     
1 1 1 5  15 19 o 169.009 2.48463 164.383      6.46994  147.656      6.44984  170.212     149.725     46.0652     149.725     
1 1 1 5  15 20 o 188.214 2.37135 189.682      7.15122  196.992      6.56915  179.277     135.806     29.1009     135.806     
1 1 1 5  15 21 o 31.6969 4.30627 8.19707      1.76827  3.45501      2.18451  16.4336     260.89      69.8542     260.89      
1 1 1 5  15 22 o 58.9575 2.62895 20.8798      2.30227  17.3276      2.41738  23.764      231.775     43.7305     51.7749     
1 1 1 5  15 23 o 191.105 2.16489 204.067      6.08097  194.622      6.63283  201.654     231.769     70.1019     231.769     
1 1 1 5  15 24 o 92.6879 2.38963 49.9639      3.30083  44.0962      3.48458  106.951     196.238     67.0279     196.238     
1 1 1 5  15 25 o 21.5236 4.40856 2.2864       1.52474  2.92569      1.57597  25.0058     128.355     74.4972     128.355     
1 1 1 5  15 26 o 69.4137 2.52835 28.86        2.6842   24.0921      2.68521  36.7232     223.834     42.8882     43.8336     
1 1 1 5  15 27 o 88.0184 2.37059 42.4499      3.19773  42.4194      3.21662  71.7607     42.1455     5.18827     222.145     
1 1 1 5  15 28 f 94.2747 2.428   50.8189      3.71409  46.6697      3.32468  98.8152     115.804     0           0           
1 1 1 5  15 29 o 14.8221 4.28126 0.283446     1.53427  0.642304     1.56514  7.90605     325.416     20.1115     325.416     
1 1 1 5  15 30 o 79.2339 2.42982 34.0917      2.95721  34.8987      2.9577   73.6955     121.09      15.4836     121.09      
1 1 1 5  15 31 o 72.5885 2.61093 26.7753      2.96405  31.3969      2.82552  48.873      2.42517     24.6819     182.425     
1 1 1 5  15 32 o 51.409  3.09031 15.6995      2.56932  13.7716      2.27971  51.9433     298.091     25.2951     298.091     
1 1 1 5  15 33 o 32.0979 3.63922 6.43948      1.77839  5.35757      1.69386  22.1209     193.822     9.9711      193.822     
1 1 1 5  15 34 o 49.2217 2.6975  13.228       2.01754  13.7395      2.03952  39.6791     142.084     2.22131     322.084     
1 1 1 5  15 35 o 22.6967 4.46844 3.36674      1.62585  2.70026      1.62443  8.98547     303.479     0.249517    303.479     
1 1 1 5  15 36 o 49.3187 2.84013 14.1208      2.08103  13.1363      2.18701  51.2314     313.038     22.5364     313.038     
1 1 1 5  15 37 o 21.8471 4.58659 3.23648      1.57811  2.35803      1.7782   10.2869     170.652     2.78481     350.652     
1 1 1 5  15 38 o 15.5556 4.46911 -1.12649     1.64638  1.88057      1.94058  0.00268195  73.3983     15.6513     253.394     
1 1 1 5  15 39 o 24.916  4.38599 2.97963      1.66296  4.54923      1.72393  16.5498     266.801     2.98995     86.8014     
1 1 1 5  15 40 o 42.5857 3.15076 11.649       2.05732  9.16403      1.99392  36.2537     119.231     1.87738     119.231     
1 1 1 5  15 41 o 57.3961 2.65179 19.0925      2.31323  18.1094      2.34605  48.4036     206.394     0.309789    206.394     
1 1 1 5  15 42 o 65.3403 2.55436 26.5778      2.54768  21.7393      2.55047  58.9035     5.44486     8.11572     5.44486     
1 1 1 5  15 43 o 24.6653 4.62241 3.89656      1.75005  3.77765      1.81867  15.6642     115.141     4.30534     295.141     
1 1 1 5  15 44 o 9.31611 3.20534 -2.24391     1.47671  -2.43594     1.46011  1.76598     13.4207     5.86668     13.4207     
1 1 1 5  15 45 o 12.3233 4.00807 -0.3047      1.74447  -1.67232     1.79746  0.106288    75.0088     1.56796     255.009     
1 1 1 5  15 46 o 61.9467 2.90754 21.6879      2.79913  23.0947      2.70952  61.9984     309.054     21.266      309.054     
1 1 1 5  15 47 f 34.843  4.53788 7.1857       2.43472  8.7454       2.22521  20.5089     10.3797     0           0           
1 1 1 5  15 48 o 13.3469 4.39178 -0.687765    2.29296  -1.23627     2.07569  3.43755     341.264     7.4415      161.264     
1 1 1 5  15 49 o 13.705  4.36019 -0.380067    1.87426  0.190399     1.98578  2.64411     184.19      2.5041      4.18991     
1 1 1 5  15 50 o 18.344  4.94749 3.06841      2.052    1.3579       1.90613  11.0462     279.732     2.61217     99.7316     
1 1 1 5  15 51 o 15.6986 4.67139 0.746539     2.01482  1.57463      1.86672  7.89728     108.878     2.81144     108.878     
1 1 1 5  15 52 o 12.9378 4.25573 -0.0864883   2.23881  -0.900846    1.83004  2.65577     290.498     10.673      110.498     
1 1 1 5  15 53 o 14.0701 4.44585 0.208496     1.92707  0.680938     2.01164  5.30019     347.396     1.32183     167.396     
1 1 1 5  15 54 o 23.7277 5.19171 3.14221      2.14472  6.21361      2.24594  20.4644     273.859     10.1045     273.859     
1 1 1 5  15 55 o 17.0445 4.92645 0.354092     2.03269  3.49529      2.26426  5.91238     269.468     5.31949     89.4684     
1 1 1 5  15 56 o 16.731  4.99946 2.81826      2.26635  1.15136      2.23369  6.31788     52.7806     4.80077     232.781     
1 1 1 5  15 57 o 17.687  5.10794 2.17337      2.15708  3.48334      2.27641  10.142      333.566     2.92825     333.566     
1 1 1 5  15 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  16 0  o 420.587 2.00172 963.793      12.9629  963.793      12.9629  407.763     270         63.0186     270         
1 1 1 5  16 1  o 161.209 2.0282  130.004      5.01208  153.832      5.03266  166.283     97.5898     57.3799     97.5899     
1 1 1 5  16 2  o 168.889 2.08251 164.529      5.63719  146.726      5.1977   204.613     309.404     125.467     309.404     
1 1 1 5  16 3  o 29.6907 3.42949 3.42085      1.41438  6.72414      1.55472  19.983      236.876     57.6913     236.876     
1 1 1 5  16 4  o 81.3878 2.20386 36.6187      2.76279  35.7268      2.75094  41.7385     300.87      44.4626     120.87      
1 1 1 5  16 5  o 168.499 2.02194 157.813      5.24794  151.773      5.24334  176.634     237.963     64.9035     237.963     
1 1 1 5  16 6  o 75.3167 2.35225 29.5393      2.52344  32.4942      2.9191   25.0636     230.716     68.1915     50.7157     
1 1 1 5  16 7  o 141.448 2.6257  105.064      6.00066  113.454      5.38344  139.345     14.2189     40.7541     14.2189     
1 1 1 5  16 8  o 88.9977 2.95967 51.3567      4.02343  36.0116      3.97583  71.9517     338.687     10.6796     338.687     
1 1 1 5  16 9  o 74.5026 2.88229 29.8259      3.45467  30.972       3.11681  11.5059     6.56473     96.567      186.565     
1 1 1 5  16 10 o 166.276 2.45051 152.02       6.29097  149.672      6.25788  191.625     158.762     101.359     158.762     
1 1 1 5  16 11 o 300.417 2.55716 484.154      11.1476  500.949      12.4935  270.826     137.433     10.7876     137.433     
1 1 1 5  16 12 o 245.877 2.31387 321.797      8.34981  337.89       9.1688   233.179     131.085     34.0695     131.085     
1 1 1 5  16 13 o 67.6939 2.88144 27.5319      3.00014  22.8132      2.96184  27.8463     250.667     50.2774     70.6673     
1 1 1 5  16 14 o 80.1131 2.95999 36.2657      3.85443  34.0653      3.42123  60.3914     170.146     6.34833     350.146     
1 1 1 5  16 15 f 124.144 2.54913 87.2642      4.88008  81.1817      4.85197  106.091     306.867     0           0           
1 1 1 5  16 16 o 38.1286 3.98548 7.00479      2.24733  9.34979      2.25351  4.86243     255.491     21.4367     75.4915     
1 1 1 5  16 17 f 78.513  2.82818 35.1052      3.40244  32.4385      3.40916  74.9262     172.734     0           0           
1 1 1 5  16 18 o 45.0214 4.05536 9.24086      2.82609  13.5473      2.48381  0.47415     157.303     63.7561     337.303     
1 1 1 5  16 19 o 97.0412 2.61554 47.9911      4.01492  55.1455      3.74959  75.8633     100.631     9.95626     280.631     
1 1 1 5  16 20 o 129.066 2.36213 93.6976      4.69774  88.3546      4.68114  115.031     43.7672     9.67084     43.7672     
1 1 1 5  16 21 o 172.984 2.28823 165.882      6.09866  160.869      6.09099  181.255     18.0672     63.1532     18.0672     
1 1 1 5  16 22 o 123.121 2.50118 89.3963      4.95546  76.6433      4.52123  121.966     19.4164     33.9699     19.4164     
1 1 1 5  16 23 o 48.7303 3.09214 13.3969      2.51281  12.8294      2.06308  30.5685     328.413     10.2504     148.413     
1 1 1 5  16 24 o 108.139 2.53538 64.9618      4.4142   63.1148      4.01348  97.1016     211.459     9.62459     211.459     
1 1 1 5  16 25 o 42.9174 3.8865  11.4968      2.59467  9.19169      2.41495  18.5985     262.883     7.14394     262.883     
1 1 1 5  16 26 o 22.7442 4.45184 3.18975      1.61218  2.71921      1.61848  2.37702     214.022     12.8387     214.022     
1 1 1 5  16 27 o 31.9036 3.56676 5.72353      1.68108  5.7733       1.70709  2.39829     106.276     36.3158     286.276     
1 1 1 5  16 28 o 38.2676 3.67879 8.39374      2.15814  8.09604      2.06547  16.6516     180.845     4.79647     180.845     
1 1 1 5  16 29 o 65.2945 2.67922 25.8093      2.77635  21.3342      2.58442  53.6817     121.51      0.281703    121.51      
1 1 1 5  16 30 o 32.4217 3.70054 5.26428      1.83589  6.74775      1.69485  10.7111     74.8881     25.9425     254.888     
1 1 1 5  16 31 o 30.9546 3.96826 6.27541      1.82307  4.80775      1.80988  12.1267     94.1689     21.7093     274.169     
1 1 1 5  16 32 o 22.0878 4.32028 3.26747      1.53462  2.4236       1.52264  8.49691     145.382     5.78245     325.382     
1 1 1 5  16 33 o 116.877 2.09187 68.4688      3.73673  82.1946      3.76781  116.395     331.312     32.254      331.312     
1 1 1 5  16 34 o 51.4672 2.70014 15.3433      2.12981  14.2171      2.1175   34.6074     321.413     16.6341     141.413     
1 1 1 5  16 35 o 66.7654 2.59242 23.9392      2.50557  25.7179      2.80403  45.3584     352.776     22.2475     172.776     
1 1 1 5  16 36 o 52.3976 2.95002 14.6553      2.25487  16.277       2.46787  48.0412     80.1597     9.64912     80.1597     
1 1 1 5  16 37 o 16.7462 4.53219 0.0545156    1.54795  2.18926      1.84836  1.22469     249.917     1.24774     69.9169     
1 1 1 5  16 38 o 32.2484 4.39344 5.81905      1.77945  6.67639      2.41725  29.3193     50.7134     9.20426     50.7134     
1 1 1 5  16 39 o 20.1776 4.75241 1.07394      1.80877  3.45436      1.84625  11.6387     183.3       4.78715     183.3       
1 1 1 5  16 40 o 21.1789 4.69076 3.725        1.84277  1.71263      1.66259  13.5494     220.399     0.657801    220.399     
1 1 1 5  16 41 o 33.0155 3.78022 5.44802      1.82625  7.65424      1.85176  28.2331     350.285     5.31808     350.285     
1 1 1 5  16 42 o 39.3783 3.41538 9.64761      2.00583  8.56944      2.0387   36.5869     344.145     10.6833     344.145     
1 1 1 5  16 43 o 50.3913 2.91686 13.2113      2.21488  16.1155      2.25651  44.0455     114.643     5.52955     114.643     
1 1 1 5  16 44 o 22.8688 4.99245 4.15836      1.93552  2.68563      2.01261  14.1376     187.103     3.55022     7.10262     
1 1 1 5  16 45 o 15.8468 4.49005 -0.640131    1.79887  2.23703      1.80971  3.43976     22.1116     13.5832     202.112     
1 1 1 5  16 46 o 24.3376 5.18983 4.01143      2.09139  4.34487      2.12284  11.4515     21.1337     14.8652     201.134     
1 1 1 5  16 47 o 16.1816 4.79751 1.68027      2.10447  0.431895     1.95438  7.00235     141.147     0.560027    141.147     
1 1 1 5  16 48 o 17.1949 4.8998  1.47112      1.98634  1.84562      2.00777  2.90055     308.008     0.761853    308.008     
1 1 1 5  16 49 o 44.5835 3.64628 9.6968       2.27945  15.7654      2.55476  44.0168     226.38      16.0153     226.38      
1 1 1 5  16 50 f 14.0989 4.38617 0.744882     1.8707   0.156866     1.8245   2.76821     318.791     0           0           
1 1 1 5  16 51 o 13.54   4.29015 0.257005     1.84332  0.176316     1.85081  4.91482     174.98      4.81241     354.98      
1 1 1 5  16 52 o 33.633  4.47962 7.34272      2.19833  8.80303      2.26886  31.8066     50.232      11.3383     50.232      
1 1 1 5  16 53 o 14.556  4.48057 -0.300806    1.90977  1.78052      1.95882  5.55281     350.865     2.56889     170.865     
1 1 1 5  16 54 o 22.4401 5.26773 2.65444      2.37528  5.77255      2.22516  14.3779     161.529     0.787624    161.529     
1 1 1 5  16 55 o 16.815  4.95316 2.54133      2.11923  1.55867      2.17223  6.23318     314.73      2.88052     134.73      
1 1 1 5  16 56 o 15.1588 4.70508 2.85807      2.20635  -0.737382    2.32817  6.43676     50.4234     1.45515     230.423     
1 1 1 5  16 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  17 0  o 169.921 2.1721  157.481      5.67931  157.481      5.67931  179.148     270         56.5402     270         
1 1 1 5  17 1  o 188.835 2.15582 193.291      6.2664   195.636      6.27108  126.904     337.646     75.2867     157.646     
1 1 1 5  17 2  o 357.925 2.01542 718.112      11.8744  679.146      10.3246  351.55      136.14      71.9956     136.14      
1 1 1 5  17 3  o 129.348 1.94283 87.5644      3.8623   94.9341      3.87289  110.735     65.2688     3.53399     65.2688     
1 1 1 5  17 4  o 11.5996 3.3378  0.103498     0.953431 0.423056     0.927692 7.0759      258.127     14.8355     258.127     
1 1 1 5  17 5  o 176.394 2.0572  163.957      5.58383  175.468      5.58729  110.593     38.1829     85.8455     218.183     
1 1 1 5  17 6  o 105.875 2.25795 60.1749      3.76058  62.2335      3.58775  110.494     111.398     54.9727     111.398     
1 1 1 5  17 7  o 173.198 2.72292 152.96       7.22721  174.954      7.27572  127.462     31.2916     45.8885     211.292     
1 1 1 5  17 8  o 152.104 3.01021 125.816      6.4661   127.172      7.58185  171.103     316.255     84.8797     316.255     
1 1 1 5  17 9  o 169.145 2.64412 147.535      7.24516  165.082      6.44357  161.077     335.253     30.0184     335.253     
1 1 1 5  17 10 o 81.108  3.12404 35.0895      3.88986  37.0428      3.88187  66.1108     292.235     4.37609     292.235     
1 1 1 5  17 11 o 171.054 2.62993 154.313      6.49417  165.271      7.35702  177.446     321.028     59.5221     321.028     
1 1 1 5  17 12 o 190.484 2.47131 209.773      7.25523  186.644      7.22576  180.704     185.527     30.2638     185.527     
1 1 1 5  17 13 o 189.784 2.45232 193.574      7.15978  199.616      7.1728   167.176     301.407     4.23901     301.407     
1 1 1 5  17 14 o 40.3348 4.22098 6.2784       2.27033  12.4737      2.72979  7.6615      311.533     14.1253     131.533     
1 1 1 5  17 15 f 56.9125 3.40007 19.8107      2.77738  15.992       3.05622  83.9816     255.26      0           0           
1 1 1 5  17 16 o 125.042 2.59494 87.9017      4.99225  83.0677      4.98722  88.4877     67.6105     36.5936     247.611     
1 1 1 5  17 17 o 246.272 2.61341 324.312      10.446   338.419      9.31541  270.082     145.012     111.685     145.012     
1 1 1 5  17 18 o 50.2825 3.4882  12.0501      2.62629  16.0629      2.66172  22.5299     51.5        26.0938     231.5       
1 1 1 5  17 19 o 58.6633 3.1001  18.9338      2.88233  18.9476      2.67368  23.0764     50.9449     47.1263     230.945     
1 1 1 5  17 20 o 128.338 2.38521 97.3444      4.71922  82.9912      4.6833   130.962     81.1022     43.1951     81.1022     
1 1 1 5  17 21 f 109.447 2.55507 72.2606      4.46997  59.2225      4.1259   76.4516     130.139     0           0           
1 1 1 5  17 22 o 102.905 2.59722 59.5776      4.26584  56.4898      3.95235  102.923     159.387     32.7865     159.387     
1 1 1 5  17 23 o 76.4721 2.94231 28.9676      3.44379  35.5349      3.42941  82.0863     336.441     44.3602     336.441     
1 1 1 5  17 24 o 22.0391 5.57348 3.5447       2.4542   0.637329     2.59839  5.83408     118.461     24.1544     118.461     
1 1 1 5  17 25 o 91.981  2.96345 46.9389      3.9846   46.2581      4.37529  86.3722     234.407     19.5695     234.407     
1 1 1 5  17 26 o 117.449 2.34253 74.2163      4.68819  77.0791      3.69791  107.688     166.55      15.4406     166.55      
1 1 1 5  17 27 o 45.4215 3.17672 10.5752      2.17432  12.4531      2.2002   33.3616     280.416     0.616265    100.416     
1 1 1 5  17 28 o 25.2473 4.31567 3.64248      1.68741  3.77763      1.63147  1.91136     226.995     27.2485     46.9947     
1 1 1 5  17 29 o 64.9936 2.51262 21.6478      2.57719  25.0706      2.40552  45.7586     102.337     17.122      282.337     
1 1 1 5  17 30 o 49.6829 2.9414  15.5588      2.21836  12.0873      2.21086  42.2921     6.52648     3.71098     6.52648     
1 1 1 5  17 31 o 40.3098 3.04411 9.73155      1.83303  8.5532       1.87622  40.9429     260.112     21.974      260.112     
1 1 1 5  17 32 o 46.1027 3.03411 11.4938      2.02532  12.3918      2.23355  16.8897     257.829     42.9016     77.8286     
1 1 1 5  17 33 o 24.3644 4.14334 4.50666      1.56366  2.56094      1.5604   11.4046     49.6793     10.8244     229.679     
1 1 1 5  17 34 o 25.0671 4.17855 3.26755      1.58543  4.22789      1.59765  15.826      316.687     2.64076     316.687     
1 1 1 5  17 35 o 38.4531 3.21556 7.58597      1.84321  9.31676      1.87513  31.7544     333.46      2.60277     333.46      
1 1 1 5  17 36 o 52.2085 2.71967 15.2527      2.1786   15.368       2.16356  45.8154     224.606     5.27536     224.606     
1 1 1 5  17 37 o 56.0784 2.72233 19.4672      2.41486  16.0238      2.25394  54.4483     143.921     15.5948     143.921     
1 1 1 5  17 38 f 13.6993 4.05226 -1.2082      1.52749  1.21493      1.54621  3.48235     296.82      0           0           
1 1 1 5  17 39 o 18.8172 4.59254 2.54371      1.61352  1.43742      1.68209  6.79719     57.3001     11.3936     237.3       
1 1 1 5  17 40 o 41.0416 3.68265 9.92209      2.26448  10.0262      2.28571  35.1856     9.39885     4.54936     9.39885     
1 1 1 5  17 41 o 35.4346 3.96983 6.30182      2.14361  8.93739      1.95124  32.9472     172.465     11.5938     172.465     
1 1 1 5  17 42 o 44.1322 3.20119 11.6165      2.14257  11.1767      2.14587  35.548      280.964     0.335779    100.964     
1 1 1 5  17 43 f 40.0031 3.86347 7.67805      2.23877  12.0901      2.286    27.9355     218.16      0           0           
1 1 1 5  17 44 o 24.4072 4.91879 4.31045      1.92446  3.77502      1.96153  17.7337     300.419     0.0280056   300.418     
1 1 1 5  17 45 f 17.9    4.9112  2.41192      1.99407  1.29352      1.91438  4.3116      224.082     0           0           
1 1 1 5  17 46 o 16.9146 4.93311 0.730288     2.19628  1.91649      2.03272  5.95846     303.853     11.0144     123.853     
1 1 1 5  17 47 o 17.3787 4.84512 0.859887     1.87383  2.63295      2.02676  4.45512     117.621     1.25333     117.621     
1 1 1 5  17 48 o 16.3952 4.81025 1.45054      2.1269   1.3818       1.86288  8.67913     209.027     1.73063     209.027     
1 1 1 5  17 49 o 22.8675 5.39231 2.50685      2.21424  5.82909      2.45171  13.2508     187.14      8.20182     7.14022     
1 1 1 5  17 50 o 14.0565 4.43479 0.754488     1.85337  -0.104424    2.09248  3.4222      160.634     0.0637941   160.634     
1 1 1 5  17 51 o 19.8778 5.11697 3.29752      2.04718  3.00103      2.01298  10.2639     169.15      8.11206     349.15      
1 1 1 5  17 52 o 14.8148 4.57236 0.921411     1.94196  1.00364      1.99483  4.70543     197.465     0.692804    17.4653     
1 1 1 5  17 53 o 17.9137 5.08557 2.70876      2.23686  2.24148      2.04269  6.89372     108.822     5.44479     288.822     
1 1 1 5  17 54 o 19.8088 4.95782 4.98957      2.09404  1.27158      2.12286  10.9632     268.974     1.49107     88.9739     
1 1 1 5  17 55 o 13.6307 4.35037 -1.11785     2.0668   1.78646      2.00071  3.52045     351.063     1.34456     171.063     
1 1 1 5  17 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  18 0  o 47.0074 2.59678 12.2651      1.85259  12.2651      1.85259  39.0578     90          160.493     90          
1 1 1 5  18 1  f 191.594 2.09666 201.414      5.94278  199.002      6.41674  160.599     30.8477     0           0           
1 1 1 5  18 2  o 126.485 2.08998 85.8354      4.06802  88.6868      4.07268  104.992     217.889     4.96931     37.8892     
1 1 1 5  18 3  o 153.433 2.14858 130.779      4.8608   126.062      5.27469  167.993     56.5183     75.0311     56.5183     
1 1 1 5  18 4  o 100.47  2.08976 52.971       3.30716  57.2741      3.13942  74.5338     168.203     18.4769     348.203     
1 1 1 5  18 5  o 300.9   1.9003  494.994      8.81281  492.347      8.79737  275.202     112.882     24.0357     112.882     
1 1 1 5  18 6  o 229.292 2.13171 275.961      7.76993  297.788      7.24612  254.128     64.2047     110.652     64.2047     
1 1 1 5  18 7  o 284.95  2.56552 442.858      11.8846  443.677      10.5912  277.369     138.336     57.2878     138.336     
1 1 1 5  18 8  o 48.9045 3.41591 12.2799      2.52405  14.1747      2.54332  21.1399     159.855     15.7865     339.855     
1 1 1 5  18 9  o 114.08  2.94842 72.8287      5.16777  69.6146      5.17174  112.472     327.456     35.8011     327.456     
1 1 1 5  18 10 o 152.563 2.83512 129.742      6.65591  124.792      6.65182  130.227     214.529     1.04086     34.529      
1 1 1 5  18 11 o 132.206 2.70422 94.7874      5.19312  96.3279      5.79382  127.369     23.2889     31.5988     23.2889     
1 1 1 5  18 12 o 156.91  2.51453 140.34       6.07864  128.678      6.06474  140.984     70.6163     13.3355     70.6162     
1 1 1 5  18 13 o 117.636 2.63025 73.7581      4.75511  77.6179      4.7599   90.8109     0.514453    16.8962     180.514     
1 1 1 5  18 14 o 185.728 2.49008 194.321      7.12548  182.583      7.11301  163.307     109.717     6.1056      109.717     
1 1 1 5  18 15 o 272.321 2.45009 398.959      10.2656  411.206      10.2816  244.861     59.1864     16.1345     59.1863     
1 1 1 5  18 16 o 93.7524 2.75852 49.7994      3.98481  46.5232      3.95989  86.1009     131.102     17.6122     131.102     
1 1 1 5  18 17 o 123.332 2.61168 86.3379      4.96195  80.2098      4.94254  107.956     359.643     5.90893     359.643     
1 1 1 5  18 18 o 111.068 2.53808 70.0364      4.52693  65.0699      4.14474  78.6577     98.1583     32.0915     278.158     
1 1 1 5  18 19 o 127.493 2.39342 91.8205      4.69844  86.1047      4.68766  103.061     125.403     11.8442     305.403     
1 1 1 5  18 20 o 37.5709 3.92671 7.74594      2.16779  8.14564      2.23927  3.31138     240.493     47.9711     60.493      
1 1 1 5  18 21 o 151.41  2.58094 128.52       6.56393  122.76       5.43453  134.308     31.5195     9.29369     31.5195     
1 1 1 5  18 22 o 132.177 2.747   95.9232      5.26294  95.9561      5.88911  105.854     129.431     13.6987     309.431     
1 1 1 5  18 23 f 75.0599 3.27727 28.6339      3.73734  33.8041      3.78451  60.6126     314.888     0           0           
1 1 1 5  18 24 o 42.2968 4.26129 12.5212      2.42535  8.00919      2.75794  28.349      118.366     0.109195    298.365     
1 1 1 5  18 25 o 19.119  4.91986 1.34851      1.80113  2.0958       1.96288  6.9134      103.268     28.9174     103.268     
1 1 1 5  18 26 o 88.0348 3.15529 46.1143      4.24404  39.9525      4.26368  89.1606     183.549     31.4408     183.549     
1 1 1 5  18 27 o 75.6941 2.75681 30.717       3.32232  32.7216      3.06581  69.7495     15.759      13.2832     15.759      
1 1 1 5  18 28 o 35.4732 3.52562 6.28993      1.89715  8.06789      1.80602  27.4639     4.41483     1.91376     4.41484     
1 1 1 5  18 29 f 25.4747 4.37039 3.59835      1.62598  4.06759      1.7688   20.543      45.3598     0           0           
1 1 1 5  18 30 o 24.655  4.25184 3.37649      1.52626  3.81259      1.67401  10.1775     17.0155     14.0425     197.016     
1 1 1 5  18 31 o 42.8655 2.9628  8.61906      1.89681  12.2091      1.91324  40.387      84.4936     13.3977     84.4936     
1 1 1 5  18 32 o 96.5368 2.1731  50.3911      3.23046  52.6785      3.22072  85.8199     168.541     8.51848     168.541     
1 1 1 5  18 33 o 17.5196 4.37658 1.13958      1.47363  2.02947      1.50698  3.429       265.149     9.47009     85.1487     
1 1 1 5  18 34 o 50.2855 2.84738 12.9673      2.10171  15.5749      2.26895  53.5693     187.276     26.1157     187.276     
1 1 1 5  18 35 o 41.1629 3.13995 10.9982      1.93336  8.42558      1.94695  33.9463     251.696     1.0658      251.696     
1 1 1 5  18 36 o 62.5945 2.56292 21.8447      2.4704   22.1579      2.44887  52.1476     339.58      0.26533     159.58      
1 1 1 5  18 37 o 44.4279 3.0205  12.3319      2.0366   10.3247      2.03043  43.0848     276.455     14.3916     276.455     
1 1 1 5  18 38 o 12.0063 3.814   -0.430174    1.46418  -0.507502    1.47627  3.9149      217.771     19.6869     217.771     
1 1 1 5  18 39 o 47.5739 3.13893 12.6485      2.23709  13.547       2.30868  53.5751     193.825     32.2647     193.825     
1 1 1 5  18 40 o 33.0812 4.12453 7.17434      2.04468  6.23412      2.00114  31.1824     283.667     13.9658     283.667     
1 1 1 5  18 41 o 29.0508 4.70062 5.59591      2.0039   5.28781      2.1119   23.8037     116.824     5.18396     116.824     
1 1 1 5  18 42 o 20.0572 4.90274 -0.200587    2.15025  4.44809      2.13422  9.32758     232.787     8.63474     52.7868     
1 1 1 5  18 43 o 23.2978 4.66029 1.67247      1.91178  5.54761      1.93919  15.4908     349.184     3.14526     169.184     
1 1 1 5  18 44 o 33.5578 4.41598 7.6384       2.18587  7.13226      2.20851  28.3307     82.8716     3.7228      82.8716     
1 1 1 5  18 45 o 42.9925 4.0562  10.53        2.67854  13.1337      2.47195  43.1329     175.485     18.0233     175.485     
1 1 1 5  18 46 o 14.5522 4.47094 1.40786      1.80196  -1.25535     2.20379  4.62728     24.441      2.87423     204.441     
1 1 1 5  18 47 o 20.1028 4.99615 1.7548       1.98787  4.03403      2.01932  15.0721     330.197     2.86112     330.197     
1 1 1 5  18 48 o 35.6632 4.38618 10.5453      2.41054  7.10547      2.20954  34.2333     349.674     12.5347     349.674     
1 1 1 5  18 49 o 19.2651 5.09813 3.98446      2.13107  1.4805       2.16647  11.5454     317.543     3.36628     137.542     
1 1 1 5  18 50 o 20.9141 5.29895 3.36354      2.03132  3.92643      2.29949  15.5803     213.88      7.75256     213.88      
1 1 1 5  18 51 f 19.8066 5.19869 3.55466      2.14862  2.93965      2.08095  15.3727     170.774     0           0           
1 1 1 5  18 52 o 20.6748 5.29947 3.22932      2.28666  4.02767      2.11403  10.4862     285.188     1.19278     285.188     
1 1 1 5  18 53 f 15.6181 4.71169 2.21419      2.01681  0.746584     2.05561  6.52014     331.5       0           0           
1 1 1 5  18 54 o 21.7392 4.73057 7.05173      2.17219  0.829437     2.17754  17.4635     145.754     7.54811     145.754     
1 1 1 5  18 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  19 0  o 102.91  2.20006 57.8804      3.47922  57.8804      3.47922  92.4486     90          5.12656     90          
1 1 1 5  19 1  o 82.5105 2.21047 35.7426      2.72631  38.6892      2.88134  69.1609     16.976      8.96525     16.976      
1 1 1 5  19 2  o 262.14  1.95355 370.573      7.64402  379.014      8.12497  244.046     50.6507     34.1505     50.6507     
1 1 1 5  19 3  o 283.814 2.10454 441.295      8.84233  437.607      9.5368   258.511     237.345     24.8815     237.345     
1 1 1 5  19 4  o 102.867 2.38835 58.0225      3.41978  57.6325      4.10238  104.557     200.62      43.9247     200.62      
1 1 1 5  19 5  o 110.414 2.15391 62.9715      3.64728  70.2716      3.66256  87.3183     16.3846     9.26599     196.385     
1 1 1 5  19 6  f 40.6619 3.05247 8.47038      1.81699  9.8417       1.94631  8.2406      156.55      0           0           
1 1 1 5  19 7  o 180.218 2.37381 176.797      6.87893  177.856      6.28091  164.3       135.857     19.7895     135.857     
1 1 1 5  19 8  o 56.4277 3.34751 17.0763      3.18225  18.0404      2.51489  32.1046     191.345     15.9006     11.3451     
1 1 1 5  19 9  o 212.806 2.47194 251.224      8.1043   243.5        8.09532  176.308     271.019     14.4473     91.0189     
1 1 1 5  19 10 f 49.5821 3.42968 10.4106      2.57886  17.2118      2.38473  75.9298     101.544     0           0           
1 1 1 5  19 11 o 161.153 2.42818 138.911      6.28946  144.845      5.73536  109.592     255.141     57.5009     75.1405     
1 1 1 5  19 12 o 53.7721 3.3691  20.205       2.73104  12.2385      2.65995  40.0128     230.236     9.92181     230.236     
1 1 1 5  19 13 o 141.092 2.59355 101.936      5.61197  116.072      5.63546  133.189     211.214     26.1744     211.214     
1 1 1 5  19 14 o 226.287 2.47988 280.463      8.64057  279.449      8.64199  204.777     209.125     19.0886     209.125     
1 1 1 5  19 15 o 92.7529 2.66892 45.9794      3.96761  48.3555      3.62131  59.5784     209.333     36.6942     29.3332     
1 1 1 5  19 16 o 109.007 2.56127 68.4009      4.49672  61.8822      4.09262  99.1269     101.985     15.1431     101.985     
1 1 1 5  19 17 o 20.5831 5.01287 1.70467      2.04298  2.52545      1.84789  4.18327     19.0468     15.1436     19.0468     
1 1 1 5  19 18 o 52.3998 3.48544 15.4439      3.03044  15.0543      2.50589  41.1221     337.514     9.95291     337.514     
1 1 1 5  19 19 o 98.4356 2.50819 51.6804      3.80128  54.6711      3.78737  107.282     292.495     53.8465     292.495     
1 1 1 5  19 20 o 33.2479 4.36227 6.14376      2.20005  6.52389      2.09924  10.3941     112.582     13.1618     292.582     
1 1 1 5  19 21 f 41.5949 4.23313 11.7645      2.72724  8.0336       2.49992  30.9546     201.027     0           0           
1 1 1 5  19 22 o 16.9394 4.81153 -0.816835    2.06185  1.77006      1.99778  6.84776     318.6       22.0854     318.6       
1 1 1 5  19 23 o 60.2915 3.33466 21.5801      2.89073  18.9505      3.20768  38.9843     174.789     20.267      354.789     
1 1 1 5  19 24 o 21.3956 5.18445 2.9308       1.93992  1.77482      2.25958  1.31062     123.172     25.0115     123.172     
1 1 1 5  19 25 o 57.6591 4.43897 20.2988      3.23272  17.6849      4.30496  43.9667     84.4719     6.32219     264.472     
1 1 1 5  19 26 o 36.2056 4.77061 9.04983      2.63062  6.4328       2.48462  26.1147     237.761     3.1545      57.7614     
1 1 1 5  19 27 o 60.6337 3.07582 19.1586      2.93878  22.0124      2.73461  47.8968     121.494     4.65924     301.495     
1 1 1 5  19 28 f 16.5644 4.81629 1.33179      2.0319   -0.220061    1.99496  8.72041     99.0258     0           0           
1 1 1 5  19 29 o 28.5161 4.95213 5.93233      2.05963  3.85071      2.32759  19.7115     209.954     7.80873     209.954     
1 1 1 5  19 30 o 37.5325 3.3734  7.86257      1.93756  8.2418       1.86969  31.632      141.403     5.42308     141.403     
1 1 1 5  19 31 o 72.7961 2.49897 35.3901      2.62721  24.131       2.83066  62.969      66.4296     4.7122      66.4296     
1 1 1 5  19 32 o 18.2573 3.9844  3.35588      1.44871  -0.155527    1.46993  5.26366     309.783     2.79985     129.783     
1 1 1 5  19 33 o 51.5582 2.87586 15.8691      2.12521  14.1703      2.37291  48.5985     313.971     12.9019     313.971     
1 1 1 5  19 34 o 39.2331 3.33393 8.67518      2.03238  9.07573      1.90744  32.6011     79.6266     1.68201     79.6266     
1 1 1 5  19 35 o 60.9995 2.57482 22.594       2.4098   19.3787      2.39465  59.907      17.5417     19.2771     17.5417     
1 1 1 5  19 36 o 28.9712 4.05255 5.42048      1.75409  4.77014      1.73333  22.0782     173.234     0.906817    173.234     
1 1 1 5  19 37 o 37.2335 3.55451 9.84714      1.93921  6.65795      1.95213  27.5854     158.329     3.69577     338.329     
1 1 1 5  19 38 o 38.2617 3.4492  8.75595      1.98813  8.48518      1.9836   31.8805     313.232     3.75395     313.232     
1 1 1 5  19 39 o 40.5799 3.30547 8.43308      1.98908  11.0266      2.03548  27.3734     191.133     10.1969     11.1332     
1 1 1 5  19 40 o 54.9936 3.15072 18.9207      2.7279   16.6228      2.56231  55.8648     325.052     22.9972     325.052     
1 1 1 5  19 41 o 37.0839 4.26603 10.0956      2.34224  7.4401       2.32207  30.1432     119.301     1.79752     119.301     
1 1 1 5  19 42 o 15.7741 4.57661 1.00684      1.7625   1.16639      1.79372  7.16439     263.142     2.64039     83.1424     
1 1 1 5  19 43 o 25.6424 5.09404 6.92449      2.29603  2.38634      2.31418  14.4809     306.175     10.1835     126.175     
1 1 1 5  19 44 o 20.7499 5.10768 1.0852       2.69069  4.1607       1.90685  13.0933     94.0685     1.06263     274.068     
1 1 1 5  19 45 o 37.1324 4.40082 10.666       2.4024   7.90515      2.40818  27.7529     48.928      3.27393     228.928     
1 1 1 5  19 46 o 13.2195 4.20346 0.59234      1.78766  -0.811723    1.85486  5.40474     6.38466     4.16635     186.385     
1 1 1 5  19 47 o 47.9908 3.48557 14.104       2.54864  15.2205      2.5236   47.118      54.5935     17.5984     54.5935     
1 1 1 5  19 48 o 18.4601 5.00462 2.17892      2.02781  2.86162      1.98129  9.39104     26.4225     6.63913     206.423     
1 1 1 5  19 49 f 27.7262 5.2506  6.43637      2.39903  5.94516      2.17515  17.9503     242.96      0           0           
1 1 1 5  19 50 o 16.0977 4.86696 2.56914      2.17492  0.105793     2.30302  4.93276     253.671     0.698735    73.6707     
1 1 1 5  19 51 o 12.9653 4.2415  -2.75232     1.97983  1.35255      2.17384  0.1942      76.209      3.39865     256.209     
1 1 1 5  19 52 o 16.3986 4.87332 1.87062      2.05431  2.13907      2.11688  5.35854     186.813     0.986352    6.81258     
1 1 1 5  19 53 o 16.7565 4.83719 0.715411     2.07109  3.63349      2.11172  9.34434     292.768     1.44343     292.768     
1 1 1 5  19 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  20 0  o 104.319 2.28409 59.5074      3.66117  59.5074      3.66117  97.7027     270         14.7479     270         
1 1 1 5  20 1  o 36.1525 3.44638 6.25771      1.97168  8.4047       1.66039  1.9718      289.801     41.6014     109.801     
1 1 1 5  20 2  o 93.6514 2.19599 48.0413      3.26507  47.835       3.05688  92.5849     285.267     33.742      285.267     
1 1 1 5  20 3  o 83.9503 2.22746 33.6553      2.78319  43.7497      2.94725  76.6845     282.035     18.7975     282.035     
1 1 1 5  20 4  o 38.3464 3.02051 7.933        1.74892  8.36594      1.7568   8.77535     201.096     31.4797     21.0959     
1 1 1 5  20 5  o 84.832  2.43407 44.3652      3.17108  34.7075      3.14171  65.9552     115.685     6.92097     295.685     
1 1 1 5  20 6  o 286.562 2.2291  463.087      10.2527  434.151      9.42165  314.103     236.49      135.496     236.49      
1 1 1 5  20 7  o 105.487 3.01961 61.0347      5.47844  61.0564      4.22689  99.5608     251.417     23.6151     251.417     
1 1 1 5  20 8  f 85.0674 2.98568 35.9947      4.0039   43.6553      3.73277  56.7341     90.7699     0           0           
1 1 1 5  20 9  o 235.047 2.45148 313.765      8.80237  290.597      8.92848  245.406     20.7754     87.8128     20.7754     
1 1 1 5  20 10 o 36.233  3.94681 9.71         2.09181  5.38087      2.0536   6.7518      209.795     35.5465     29.795      
1 1 1 5  20 11 o 102.976 2.46779 51.4801      3.87069  65.0624      3.90757  106.481     219.861     43.1379     219.861     
1 1 1 5  20 12 o 156.551 2.44491 136.483      6.18359  131.734      5.59869  162.052     70.5689     58.9266     70.5689     
1 1 1 5  20 13 o 112.263 2.79286 66.9473      4.98481  71.4394      4.63396  94.4679     88.2141     0.825016    88.2141     
1 1 1 5  20 14 o 173.282 2.38188 168.822      6.61555  159.957      6.09567  150.146     180.505     5.36694     180.505     
1 1 1 5  20 15 o 120.567 2.41371 77.3226      4.47706  82.0658      4.47332  128.181     41.5008     55.9076     41.5008     
1 1 1 5  20 16 o 191.986 2.28053 202.354      6.74235  201.301      6.74186  182.923     300.239     39.0899     300.239     
1 1 1 5  20 17 o 87.9681 2.5644  41.0688      3.46623  44.017       3.46301  97.8533     208.585     54.9576     208.585     
1 1 1 5  20 18 o 19.389  4.64737 -0.0640299   1.75116  3.41447      1.92357  8.41372     62.9296     30.9357     62.9296     
1 1 1 5  20 19 o 20.3213 4.72954 0.987066     1.83646  3.20389      1.78126  4.07259     52.5634     21.8926     52.5634     
1 1 1 5  20 20 o 42.1735 4.08779 10.6776      2.67112  9.5438       2.4993   13.6651     180.102     38.4573     0.102303    
1 1 1 5  20 21 o 104.444 3.71425 61.8913      4.79722  59.9626      6.86916  95.0111     270.411     14.9507     270.411     
1 1 1 5  20 22 f 69.6011 2.9645  27.6424      3.16184  26.1784      3.16138  67.351      171.552     0           0           
1 1 1 5  20 23 o 56.8957 3.40014 18.0968      2.79793  18.2362      3.09634  40.4732     173.876     12.4429     353.876     
1 1 1 5  20 24 o 64.292  3.69452 22.7778      3.40465  23.9201      3.84202  56.0655     145.522     6.17308     145.522     
1 1 1 5  20 25 o 23.9814 5.03241 1.70236      2.01305  4.97985      2.20171  1.31685     51.7257     38.2744     51.7257     
1 1 1 5  20 26 o 102.015 2.51098 56.7282      3.94167  58.637       3.93438  97.5928     174.99      24.1618     174.99      
1 1 1 5  20 27 o 14.4589 4.52642 -0.170492    1.97763  -0.741234    2.01901  1.31712     322.593     11.5234     322.593     
1 1 1 5  20 28 o 59.7983 3.25582 22.5507      2.7539   18.0084      3.10372  45.3431     305.501     7.69142     125.501     
1 1 1 5  20 29 o 25.8267 4.854   4.97246      1.98822  3.12725      2.00383  14.0408     201.629     7.90838     21.6286     
1 1 1 5  20 30 o 26.809  4.6534  2.24471      2.03887  6.53028      2.02599  12.645      88.2116     14.7528     268.212     
1 1 1 5  20 31 o 51.6902 3.28543 16.0978      2.61386  14.4256      2.55676  47.0879     193.626     10.0011     193.626     
1 1 1 5  20 32 o 28.0532 4.34649 4.69755      1.77662  4.84763      1.8747   23.6254     202.854     5.18434     202.854     
1 1 1 5  20 33 o 27.2698 4.36538 2.6305       1.60985  6.83156      2.08347  20.3677     72.5207     0.220429    72.5206     
1 1 1 5  20 34 o 36.8151 3.66557 7.27065      2.09884  8.75316      1.89088  32.4795     130.521     7.74223     130.521     
1 1 1 5  20 35 o 54.9803 2.71681 16.5182      2.28118  17.8931      2.28722  42.9244     271.984     3.68544     91.9842     
1 1 1 5  20 36 o 13.2473 4.04157 0.260246     1.5185   -0.0533763   1.48842  0.0430813   197.56      8.7264      197.56      
1 1 1 5  20 37 o 27.6599 4.32812 4.73813      1.78221  4.84198      1.80714  19.7957     270.188     0.37784     90.1882     
1 1 1 5  20 38 o 20.4371 4.69558 2.51441      1.69354  2.79031      1.69312  8.62922     253.073     10.3768     73.073      
1 1 1 5  20 39 o 15.774  4.5664  1.37023      1.80958  0.621482     1.73684  4.64929     207.46      3.27283     27.4602     
1 1 1 5  20 40 o 31.115  4.51909 8.18025      2.113    4.70246      2.08544  26.023      261.617     4.49881     261.617     
1 1 1 5  20 41 o 24.9596 4.9178  3.86956      1.97831  4.79127      1.96297  19.2012     72.7317     1.66464     72.7316     
1 1 1 5  20 42 o 19.2561 4.99258 1.22874      2.11567  3.40287      1.96819  9.33449     109.468     7.63642     289.468     
1 1 1 5  20 43 o 21.3369 5.22818 2.86297      2.28358  3.71968      1.98353  14.8961     176.384     3.6781      176.384     
1 1 1 5  20 44 o 41.1742 4.33733 11.8412      2.49149  10.9131      2.79547  39.3605     55.9866     13.8865     55.9866     
1 1 1 5  20 45 f 16.6386 4.9345  1.41975      2.13999  1.65651      2.12515  9.41414     159.04      0           0           
1 1 1 5  20 46 o 18.6906 5.07001 3.27502      2.14497  1.88583      1.98597  9.32262     103.973     7.37341     283.973     
1 1 1 5  20 47 o 16.0263 4.6685  -0.0499959   1.98464  2.65199      1.96639  8.01505     146.473     0.175055    146.473     
1 1 1 5  20 48 o 12.7661 4.18095 -0.424508    1.92948  -0.236391    1.96876  3.21284     74.2548     6.19209     254.255     
1 1 1 5  20 49 o 13.983  4.50845 -0.422643    2.39861  0.704175     1.9748   1.11516     117.642     1.61747     297.642     
1 1 1 5  20 50 o 23.6269 5.65163 4.91424      2.43702  5.26648      2.45439  15.182      285.312     5.25738     285.312     
1 1 1 5  20 51 o 11.3584 3.90614 -1.42082     1.95621  -2.14366     2.40229  0.372032    107.653     3.20825     287.653     
1 1 1 5  20 52 o 14.4727 4.54393 1.7779       2.02028  0.24862      2.10258  6.09782     124.022     0.330116    124.022     
1 1 1 5  21 0  o 245.091 1.91549 327.651      7.22731  327.651      7.22731  273.532     90          126.537     90          
1 1 1 5  21 1  o 161.144 1.98217 137.829      4.91463  145.893      4.91977  126.28      287.725     20.5864     107.725     
1 1 1 5  21 2  o 66.5952 2.39052 21.5961      2.35687  27.2086      2.52125  46.7692     159.808     12.0439     339.808     
1 1 1 5  21 3  o 71.0551 2.54907 25.4176      2.96807  30.0947      2.517    43.1341     278.188     28.5702     98.1878     
1 1 1 5  21 4  f 12.1992 3.76586 -0.650341    1.4991   0.0214452    1.19796  18.9537     46.7645     0           0           
1 1 1 5  21 5  o 117.76  2.49977 71.8616      4.79804  80.2111      4.19211  114.532     324.651     33.2991     324.651     
1 1 1 5  21 6  f 86.5045 2.80878 43.9098      4.48558  38.4153      2.89437  64.6253     203.68      0           0           
1 1 1 5  21 7  o 54.2282 3.96118 14.6639      3.4098   18.248       3.00365  20.8526     209.001     42.9601     29.0005     
1 1 1 5  21 8  o 81.0625 3.09046 31.662       3.77472  41.056       3.87333  58.9042     125.193     14.0174     305.193     
1 1 1 5  21 9  o 21.8936 4.98754 1.4298       2.22133  3.43061      1.80518  7.19668     108.277     27.4867     108.277     
1 1 1 5  21 10 o 43.2242 3.50846 12.0874      2.31576  8.90246      2.23273  11.1648     14.7935     41.6009     194.794     
1 1 1 5  21 11 o 94.0964 2.58337 50.6547      3.85313  46.6566      3.62037  81.3764     313.145     8.27017     313.145     
1 1 1 5  21 12 o 58.0506 2.95543 18.6221      2.67289  18.6325      2.57447  30.8375     168.914     30.0695     348.914     
1 1 1 5  21 13 o 40.8629 3.5422  9.28872      2.23164  9.43666      2.1303   24.9048     103.831     1.02921     283.831     
1 1 1 5  21 14 o 17.7667 4.35482 -1.06844     1.71021  3.05917      1.74259  21.8365     326.575     62.4035     326.575     
1 1 1 5  21 15 o 108.019 2.69676 64.387       4.86479  64.1231      4.0555   127.218     308.733     77.4446     308.733     
1 1 1 5  21 16 o 20.187  4.79528 1.31972      1.78529  2.9167       1.82637  7.18431     350.532     34.147      350.532     
1 1 1 5  21 17 o 89.991  2.82599 43.4174      3.68172  46.1137      4.12864  79.0785     312.406     9.1762      312.406     
1 1 1 5  21 18 o 114.342 2.50451 75.5512      4.574    68.6334      4.2371   109.805     97.9249     28.3635     97.9249     
1 1 1 5  21 19 o 20.906  5.11542 1.54936      2.11118  2.9336       1.98377  2.18875     308.85      30.184      308.85      
1 1 1 5  21 20 o 39.2005 4.53235 8.9859       2.61475  8.86359      2.66744  17.4695     321.369     27.2414     141.369     
1 1 1 5  21 21 o 79.1404 2.98078 33.8948      3.40888  35.8998      3.82719  63.845      328.023     3.83243     148.023     
1 1 1 5  21 22 o 55.7078 3.91747 19.0546      3.58985  16.3673      3.04644  53.4516     286.04      17.4833     286.04      
1 1 1 5  21 23 f 42.2135 4.30979 9.81657      2.7155   10.8944      2.71865  22.6099     7.74065     0           0           
1 1 1 5  21 24 o 64.7109 3.4005  23.6788      3.34488  23.6438      3.38354  52.863      170.8       0.461433    350.8       
1 1 1 5  21 25 o 42.0598 3.76366 8.89101      2.28387  11.5675      2.46712  28.7744     204.451     9.17067     24.451      
1 1 1 5  21 26 o 116.515 2.86316 70.6055      4.81861  81.5062      5.44588  124.302     349.715     54.6894     349.715     
1 1 1 5  21 27 o 32.1454 4.74208 6.47559      2.10811  5.99649      2.42936  15.8643     342.988     17.7643     162.988     
1 1 1 5  21 28 o 28.2927 4.76963 5.93201      2.07782  3.87397      2.05986  17.8525     247.73      6.12312     67.7301     
1 1 1 5  21 29 o 16.1669 4.64558 1.34989      1.81816  0.146398     1.86319  4.27959     226.886     8.69864     46.8857     
1 1 1 5  21 30 o 38.1871 4.13531 10.4714      2.33125  7.014        2.30484  38.6661     202.119     17.9749     202.119     
1 1 1 5  21 31 o 43.8084 3.6589  10.6138      2.40035  11.8668      2.43547  38.6626     213.524     7.39048     213.524     
1 1 1 5  21 32 o 18.8885 4.79905 0.0841952    1.95134  3.28894      1.95082  8.04079     4.37974     4.44446     184.38      
1 1 1 5  21 33 o 26.1802 5.05218 4.05531      2.08031  4.76127      2.11411  16.4692     43.1007     4.35315     223.101     
1 1 1 5  21 34 o 44.2693 4.50528 16.1099      3.84968  8.64629      2.17843  35.5984     77.6889     1.23231     77.6889     
1 1 1 5  21 35 o 14.3223 4.41974 0.124638     1.92897  0.0364094    1.74565  1.58425     89.0446     18.9542     89.0447     
1 1 1 5  21 36 o 11.5079 3.83523 -1.22278     1.78881  -1.79915     1.73714  2.17546     272.815     12.8699     272.815     
1 1 1 5  21 37 f 26.1758 4.84618 4.15892      1.916    4.9898       2.04183  23.4151     204.478     0           0           
1 1 1 5  21 38 o 30.6832 4.51841 7.78673      2.08761  4.68299      2.0592   14.5245     182.62      18.8568     2.62018     
1 1 1 5  21 39 o 56.3749 3.08091 17.4939      2.6269   20.396       2.66949  54.084      133.632     17.3887     133.632     
1 1 1 5  21 40 o 18.4403 4.81692 1.58213      1.82429  2.70578      1.84239  9.62626     216.081     4.75283     36.0812     
1 1 1 5  21 41 o 23.1277 5.2734  3.89243      2.1727   3.97459      2.10167  12.7567     157.275     7.55761     337.275     
1 1 1 5  21 42 o 13.3364 4.25758 0.1443       1.95407  -0.346162    1.7553   3.16779     189.478     2.12834     9.47778     
1 1 1 5  21 43 o 14.8806 4.5797  1.62954      2.04615  -0.545442    1.99557  5.86943     97.9967     1.68655     97.9967     
1 1 1 5  21 44 o 15.261  4.68068 0.311783     1.90286  1.5564       2.17566  7.12679     188.08      0.285459    188.08      
1 1 1 5  21 45 o 20.8792 5.15927 3.39203      2.00068  3.53461      2.08375  14.1893     343.105     0.0478633   343.105     
1 1 1 5  21 46 o 19.6243 5.28479 2.8167       2.0483   3.53652      2.37457  13.3485     286.232     2.84395     286.232     
1 1 1 5  21 47 o 29.2065 5.18512 6.45095      2.4376   7.1666       2.23968  23.099      89.1287     3.52757     89.1287     
1 1 1 5  21 48 o 11.6984 3.92454 -2.60907     1.91253  0.0145789    1.96011  0.567785    187.591     5.59948     187.591     
1 1 1 5  21 49 o 12.1143 4.03651 -0.0917125   1.97554  -1.42836     1.9459   0.0403628   54.1665     6.94114     234.167     
1 1 1 5  21 50 o 14.3449 4.59656 1.49962      2.32095  0.343817     2.04869  3.99705     183.206     7.64538     3.20605     
1 1 1 5  21 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  22 0  o 105.845 2.09529 61.294       3.40905  61.294       3.40905  93.6659     90          7.48131     90          
1 1 1 5  22 1  o 47.7687 3.00063 14.1021      2.04322  11.2763      2.26576  14.0824     249.606     45.3054     69.606      
1 1 1 5  22 2  o 112.697 2.30388 63.4752      3.53486  76.091       4.45837  107.423     188.759     28.889      188.759     
1 1 1 5  22 3  o 56.8914 2.54658 17.2612      2.29566  18.4025      2.13261  50.18       359.512     18.4013     359.512     
1 1 1 5  22 4  o 24.4194 4.17736 4.41022      1.66504  2.54416      1.48121  5.9895      20.1588     36.8628     20.1588     
1 1 1 5  22 5  o 45.2295 2.93976 12.7564      2.00556  10.0224      2.01579  25.3253     126.14      15.1033     306.14      
1 1 1 5  22 6  o 35.4426 3.70907 7.37777      1.99076  6.82673      1.93527  15.9747     340.651     7.97144     160.651     
1 1 1 5  22 7  o 137.521 2.7108  107.846      5.47289  100.278      5.96187  155.086     41.5999     82.1045     41.5999     
1 1 1 5  22 8  o 73.8465 2.68543 28.236       2.94501  31.9343      3.1422   51.8059     167.219     16.1461     347.219     
1 1 1 5  22 9  o 160.387 2.47822 140.108      6.11166  142.433      6.12952  162.075     140.038     55.5362     140.038     
1 1 1 5  22 10 o 42.9026 3.61997 10.5485      2.43556  10.1553      2.25211  32.0778     170.18      6.08664     170.18      
1 1 1 5  22 11 o 59.3519 3.24524 20.3161      3.13893  18.9067      2.74442  48.4564     169.998     3.55556     169.998     
1 1 1 5  22 12 o 25.6748 5.35888 2.937        2.48194  4.58818      2.15373  1.41411     190.703     36.2251     190.703     
1 1 1 5  22 13 o 62.3459 3.32503 19.0275      3.08325  24.5193      3.22943  53.0855     184.521     6.54238     184.521     
1 1 1 5  22 14 f 199.922 2.51699 233.6        8.51449  207.195      6.97648  135.468     255.936     0           0           
1 1 1 5  22 15 o 31.6966 4.28049 5.61744      2.04318  6.06363      1.98094  0.23954     349.684     48.4452     169.684     
1 1 1 5  22 16 o 59.6724 3.14788 20.2385      2.79425  19.5576      2.94325  48.4534     7.26062     0.00792182  187.262     
1 1 1 5  22 17 o 94.6297 3.02626 51.743       5.07434  48.0245      3.64503  82.2        334.11      7.24489     334.11      
1 1 1 5  22 18 o 18.128  4.95568 1.3423       2.01358  1.34535      1.91749  4.7307      91.7967     32.468      91.7967     
1 1 1 5  22 19 o 66.5583 3.06007 25.8217      3.05294  23.7708      3.17418  63.1099     160.695     17.9678     160.695     
1 1 1 5  22 20 o 91.373  2.75752 50.1991      3.85069  42.8744      3.87031  89.8642     222.969     28.8849     222.969     
1 1 1 5  22 21 o 130.66  2.89284 95.4325      5.80743  95.1141      5.8191   128.392     91.9923     39.3679     91.9923     
1 1 1 5  22 22 o 27.2298 5.16552 4.7358       2.33     4.3127       2.09204  9.09763     252.091     21.8422     72.0905     
1 1 1 5  22 23 o 39.0475 4.44893 10.0766      2.57956  7.99031      2.5648   32.5701     264.737     5.66857     264.737     
1 1 1 5  22 24 o 32.7287 4.62263 5.12033      2.24532  7.84483      2.24534  28.2686     325.135     11.8624     325.135     
1 1 1 5  22 25 o 65.6688 3.28385 19.8795      3.29124  29.5162      3.16463  62.1742     24.3361     17.5669     24.3361     
1 1 1 5  22 26 o 58.1635 3.66312 17.2519      3.05446  21.856       3.43759  39.0013     105.509     16.9631     285.509     
1 1 1 5  22 27 o 60.739  3.06429 16.912       2.76975  25.3922      2.83776  50.6134     36.1446     1.98218     36.1446     
1 1 1 5  22 28 o 38.4195 4.00376 8.9859       2.29472  8.53341      2.29915  38.2434     4.46222     17.2741     4.46222     
1 1 1 5  22 29 o 39.1751 3.99131 8.44153      2.29103  9.86898      2.37954  35.6061     196.542     10.44       196.542     
1 1 1 5  22 30 o 15.4314 4.5667  1.4393       1.88703  -0.767191    1.91393  3.70423     163.301     27.3586     163.301     
1 1 1 5  22 31 o 18.8682 4.69443 3.83865      2.02573  -0.942883    1.98624  4.81987     125.996     14.5884     305.996     
1 1 1 5  22 32 o 22.4053 4.98181 1.30341      2.03126  4.81251      2.12412  7.29281     89.4886     16.9938     269.489     
1 1 1 5  22 33 o 13.3873 4.28037 -0.992476    1.87207  -0.193843    1.91365  0.120586    136.733     7.87506     316.734     
1 1 1 5  22 34 o 24.6802 5.19071 3.25705      2.10961  4.89129      2.18274  14.5493     4.91609     5.43681     184.916     
1 1 1 5  22 35 o 18.0742 4.79917 -0.706331    1.99441  3.52497      2.10422  6.89213     269.273     8.0874      89.2734     
1 1 1 5  22 36 o 20.8307 5.42267 2.49299      2.10337  3.30253      2.4728   13.2959     326.159     1.5466      326.159     
1 1 1 5  22 37 o 20.0175 4.85913 0.947685     2.38167  3.67312      1.719    11.2696     341.741     5.37086     161.741     
1 1 1 5  22 38 o 59.3919 2.84871 21.9613      2.51464  19.6433      2.64583  53.0469     256.587     10.9792     256.587     
1 1 1 5  22 39 o 18.1412 5.16823 2.09885      2.14693  1.79338      2.30208  3.58521     273.513     17.8989     93.5132     
1 1 1 5  22 40 o 18.6623 5.07524 2.3917       2.05913  2.26578      2.04873  10.651      169.153     1.59522     349.153     
1 1 1 5  22 41 o 14.8481 4.53019 0.497758     2.0085   0.988897     1.78835  7.15657     336.45      1.77475     156.45      
1 1 1 5  22 42 o 17.2481 4.94071 2.63772      2.09433  1.02441      2.06874  9.913       167.289     3.46813     167.289     
1 1 1 5  22 43 o 14.7088 4.34616 -1.55061     1.86311  2.42214      1.84186  3.3779      259.009     0.431404    259.009     
1 1 1 5  22 44 o 11.4026 3.82508 -0.434581    1.83711  -2.07033     1.80771  0.496034    248.624     0.821449    68.624      
1 1 1 5  22 45 o 24.5452 5.22991 4.92759      2.13784  4.94841      2.14104  15.4307     278.514     4.80925     98.5139     
1 1 1 5  22 46 o 14.7144 4.57374 0.802324     2.04764  0.986542     1.95803  2.66825     83.4376     8.72294     263.438     
1 1 1 5  22 47 o 34.6459 4.70661 10.6429      2.33669  7.40026      2.46422  30.7906     176.485     12.1647     176.485     
1 1 1 5  22 48 o 18.4324 5.28762 2.33105      2.17385  3.91425      2.5148   8.96711     28.7532     0.380785    208.753     
1 1 1 5  22 49 o 14.8787 4.72446 -1.06313     2.30283  2.83661      2.4167   6.17665     253.525     4.02066     73.5246     
1 1 1 5  22 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  23 0  o 44.9155 2.84459 11.3173      1.92943  11.3173      1.92943  46.5851     90          23.941      90          
1 1 1 5  23 1  o 77.3637 2.42822 33.509       2.69181  32.4377      3.05987  71.3924     196.294     17.8852     196.294     
1 1 1 5  23 2  o 12.7142 3.75664 0.303222     1.20083  0.086616     1.25969  16.408      157.491     42.4056     157.491     
1 1 1 5  23 3  o 52.1721 2.58304 14.6577      1.99759  15.4672      2.12689  36.1111     94.9637     9.43353     274.964     
1 1 1 5  23 4  o 83.1215 2.30723 38.7         2.94933  37.3525      2.94497  78.0791     122.613     21.0244     122.613     
1 1 1 5  23 5  o 75.1067 2.21088 30.3981      2.55665  31.6726      2.5451   64.595      73.2481     7.39662     73.2481     
1 1 1 5  23 6  o 65.2325 3.01161 23.4022      2.73826  23.8945      3.2591   37.9934     316.377     30.0001     136.377     
1 1 1 5  23 7  o 149.496 2.90118 126.194      5.39514  121.166      7.68762  147.139     65.6923     45.4524     65.6923     
1 1 1 5  23 8  o 45.5971 4.41661 14.2644      2.50009  9.78426      3.22075  40.5576     92.8374     13.2947     92.8374     
1 1 1 5  23 9  o 23.8211 4.56914 4.39052      1.74889  2.20761      1.80592  4.40837     331.442     0.605668    151.442     
1 1 1 5  23 10 o 75.3984 2.72247 34.5134      3.0434   28.641       3.2156   57.8943     185.368     7.90439     5.368       
1 1 1 5  23 11 o 46.895  3.45899 16.0593      2.38424  9.21653      2.36546  33.1735     243.164     7.9286      63.1638     
1 1 1 5  23 12 o 71.144  3.01645 30.2218      3.50972  26.3039      3.07304  52.8962     292.457     10.6884     112.457     
1 1 1 5  23 13 o 19.9195 4.76554 1.49798      1.76772  2.7483       1.77055  2.61889     105.315     17.6271     285.315     
1 1 1 5  23 14 o 92.2116 2.6937  51.4329      3.82541  43.1492      3.78791  82.7772     177.34      13.71       177.34      
1 1 1 5  23 15 o 86.5512 2.73823 41.5131      3.6253   41.7977      3.65522  73.1719     18.1626     4.04806     18.1625     
1 1 1 5  23 16 o 70.5477 3.25228 28.5497      3.51621  27.429       3.51045  51.0233     171.03      13.2357     351.03      
1 1 1 5  23 17 o 22.3683 5.61721 3.30045      2.70688  2.20342      2.15072  6.76012     109.66      14.2749     289.66      
1 1 1 5  23 18 o 68.6354 3.38288 28.7439      4.00691  24.6556      3.0903   71.4489     68.7869     32.4781     68.7869     
1 1 1 5  23 19 o 33.5053 5.05357 8.22124      2.6798   5.5205       2.39461  21.068      242.912     7.93421     62.9118     
1 1 1 5  23 20 o 24.6315 5.48441 3.7606       2.38291  3.56196      2.26058  4.60096     244.969     1.87198     244.969     
1 1 1 5  23 21 o 62.7035 3.30395 22.2885      3.31253  22.3399      3.01267  46.0637     46.6086     9.55665     226.609     
1 1 1 5  23 22 o 42.7339 4.16158 10.4924      2.64264  10.9389      2.689    30.2761     319.334     6.93829     139.334     
1 1 1 5  23 23 o 115.035 2.85894 67.7691      5.24005  81.2591      4.78174  112.232     40.5924     35.2973     40.5924     
1 1 1 5  23 24 o 27.7075 5.17327 2.53557      2.55792  6.89474      2.28538  10.0836     189.648     22.5658     9.64838     
1 1 1 5  23 25 o 50.785  4.00869 13.2926      2.90614  17.2113      3.24985  38.7198     147.705     4.27093     327.705     
1 1 1 5  23 26 o 37.6517 4.26791 7.34122      2.3059   9.83056      2.45823  31.8096     159.996     5.4924      159.996     
1 1 1 5  23 27 o 34.9668 4.38102 8.00186      2.26225  6.94657      2.27638  28.1789     148.935     3.41633     148.935     
1 1 1 5  23 28 o 15.4335 4.61225 1.05279      1.89798  -0.202573    1.92845  2.19925     23.0796     4.99347     203.08      
1 1 1 5  23 29 o 52.121  3.40828 14.5835      2.69103  17.1887      2.70089  40.0593     92.77       2.81399     272.77      
1 1 1 5  23 30 o 64.8566 3.04695 22.0058      2.98816  26.5704      3.0455   59.7614     0.565723    15.7953     0.565723    
1 1 1 5  23 31 o 96.4445 2.63221 53.4151      3.88493  52.5653      3.91818  87.384      146.772     18.5714     146.772     
1 1 1 5  23 32 o 32.5541 4.82833 8.65426      2.31494  5.2799       2.38801  31.0871     272.767     17.6595     272.767     
1 1 1 5  23 33 o 39.9227 4.33815 12.6805      2.50276  7.73328      2.51645  33.979      149.208     6.35218     149.208     
1 1 1 5  23 34 f 20.0298 5.26719 2.56151      2.11393  2.62874      2.22472  11.0201     48.635      0           0           
1 1 1 5  23 35 o 24.0281 5.39383 3.65876      2.21077  4.66941      2.29201  20.3508     330.145     10.0871     330.145     
1 1 1 5  23 36 o 18.8211 5.37601 1.00734      2.42279  3.01723      2.49382  8.95322     317.114     6.79699     137.114     
1 1 1 5  23 37 o 32.0505 5.12357 6.70073      2.43632  7.88412      2.50748  25.8398     139.626     3.98456     139.626     
1 1 1 5  23 38 o 15.5134 4.82885 -1.93543     2.20525  2.30293      2.50614  2.38955     181.377     0.0912667   181.377     
1 1 1 5  23 39 o 30.4097 5.33807 12.3335      3.03901  2.42898      2.94851  19.4886     148.595     7.44967     328.595     
1 1 1 5  23 40 o 14.7026 4.57911 -2.12647     2.16347  2.08027      2.19463  5.73766     268.794     0.655545    268.794     
1 1 1 5  23 41 o 16.8448 5.17015 1.31312      2.89016  1.67483      2.15514  8.70602     165.251     2.3188      345.251     
1 1 1 5  23 42 o 14.4035 4.49731 0.983501     1.8352   0.150476     2.12598  5.35149     164.672     3.04307     344.672     
1 1 1 5  23 43 o 12.7338 4.14273 0.0582598    1.86909  -0.507026    1.87499  1.76953     121.316     1.0756      301.316     
1 1 1 5  23 44 o 34.1309 4.49114 7.83109      2.254    9.07597      2.28958  29.5168     327.746     8.90879     327.746     
1 1 1 5  23 45 f 12.5068 4.12038 0.0646389    1.95184  -1.07263     1.94382  2.52164     133.58      0           0           
1 1 1 5  23 46 o 14.4601 4.61162 -0.301225    2.03479  1.71466      2.32904  1.73993     216.38      2.13003     36.3796     
1 1 1 5  23 47 o 15.8849 4.8647  2.56286      2.0972   0.829377     2.47244  6.6357      118.316     2.3538      298.316     
1 1 1 5  23 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  24 0  o 88.4435 2.17503 42.9777      2.9541   42.9777      2.9541   71.2573     270         4.67006     90          
1 1 1 5  24 1  o 19.7058 4.2357  2.24948      1.37493  2.20217      1.42377  2.20687     116.689     18.0748     296.689     
1 1 1 5  24 2  o 91.7285 2.15333 47.7976      3.03789  44.9487      3.03478  62.2245     234.753     26.334      54.7528     
1 1 1 5  24 3  o 19.424  4.56165 2.57146      1.62153  1.53269      1.60979  3.45092     307.41      5.4143      127.41      
1 1 1 5  24 4  o 26.9728 3.99862 3.40878      1.58654  5.16005      1.6365   15.3905     78.0766     3.6162      258.077     
1 1 1 5  24 5  o 24.882  4.14377 3.54547      1.62203  3.73879      1.50207  7.14233     224.217     2.08932     224.217     
1 1 1 5  24 6  f 33.769  4.73228 8.62432      2.21527  5.0058       2.49407  55.9519     46.9769     0           0           
1 1 1 5  24 7  o 27.703  4.62472 5.55884      1.86697  3.57219      2.06316  17.3589     75.4192     2.08663     75.4192     
1 1 1 5  24 8  o 93.1364 2.67032 49.5995      3.62297  46.7595      3.99622  75.9311     19.1416     0.757067    199.142     
1 1 1 5  24 9  o 63.13   3.03505 23.0252      2.75075  21.6296      3.08917  60.3528     230.238     19.8891     230.238     
1 1 1 5  24 10 o 26.4267 4.80672 5.40684      1.83808  2.82724      2.26486  12.6514     247.859     10.3306     67.8593     
1 1 1 5  24 11 f 33.5802 4.04951 6.12607      1.96863  7.04355      2.06854  37.1199     79.4905     0           0           
1 1 1 5  24 12 o 81.0468 2.86333 39.1364      3.25072  34.343       3.79819  65.7734     253.499     0.463301    73.4996     
1 1 1 5  24 13 o 19.6404 5.13752 1.1608       1.75528  2.75501      2.38016  8.52792     302.775     44.7012     302.775     
1 1 1 5  24 14 o 30.8459 4.8606  5.68662      2.05696  5.81724      2.44239  20.7948     173.277     1.97802     353.277     
1 1 1 5  24 15 o 36.0995 4.66693 6.54854      2.46053  9.10685      2.5185   33.1925     131.579     17.5218     131.579     
1 1 1 5  24 16 o 66.2674 3.33234 25.8516      3.36828  23.969       3.38334  65.1373     349.233     24.2746     349.233     
1 1 1 5  24 17 o 28.9713 4.7717  5.11438      2.10771  5.08648      2.07034  15.7686     45.4238     10.629      225.424     
1 1 1 5  24 18 o 43.9196 3.81652 10.6557      2.4002   11.7267      2.65496  30.0897     45.6971     9.0594      225.697     
1 1 1 5  24 19 o 21.2431 5.23824 3.02246      2.11866  2.05636      2.12357  10.0574     50.0817     6.68978     230.082     
1 1 1 5  24 20 f 26.7847 5.08774 3.22652      2.27621  5.6491       2.13623  10.2624     174.77      0           0           
1 1 1 5  24 21 o 106.659 3.23323 70.9746      5.67723  58.9007      4.92766  100.791     133.878     27.5233     133.878     
1 1 1 5  24 22 o 32.6931 5.06541 6.54942      2.46723  6.84618      2.49204  24.1731     256.575     1.17197     76.5745     
1 1 1 5  24 23 o 35.6512 5.15987 6.33866      2.78023  9.81567      2.69356  29.2053     338.583     4.56526     338.583     
1 1 1 5  24 24 o 18.8587 5.11811 -1.68974     2.36148  3.67972      2.44606  7.02861     130.795     6.49357     310.795     
1 1 1 5  24 25 o 47.9039 4.47529 9.14382      2.8791   19.7404      3.28567  38.6249     330.06      2.16721     330.06      
1 1 1 5  24 26 o 39.2789 4.37862 9.09192      2.56227  9.81353      2.55573  33.9438     245.039     8.45418     245.039     
1 1 1 5  24 27 o 44.3967 4.11923 10.9981      2.70365  12.8757      2.78188  27.7711     78.9466     14.0051     258.947     
1 1 1 5  24 28 o 27.2854 5.20622 6.12849      2.34496  3.75294      2.20738  16.0617     118.181     6.75289     298.181     
1 1 1 5  24 29 o 30.2629 4.94001 4.91007      2.26712  7.14376      2.27759  18.899      158.299     6.96531     338.299     
1 1 1 5  24 30 o 51.7045 3.53367 14.8171      2.76439  17.3107      2.77577  53.6275     208.443     27.0172     208.443     
1 1 1 5  24 31 f 16.2917 4.80404 1.88496      2.05152  -0.246783    2.10363  8.09071     255.621     0           0           
1 1 1 5  24 32 o 21.3086 4.9978  5.07862      2.19085  0.501631     2.20557  13.1703     17.442      2.43036     197.442     
1 1 1 5  24 33 o 40.958  4.39322 13.3434      2.6044   8.63148      2.63013  30.6529     100.191     2.60078     280.191     
1 1 1 5  24 34 o 25.5656 5.43109 5.46005      2.29975  4.14682      2.37323  13.6421     151.922     10.2344     331.922     
1 1 1 5  24 35 o 39.2442 5.07149 10.2213      2.91279  11.3301      2.99003  35.4563     91.2886     11.6619     91.2886     
1 1 1 5  24 36 o 70.784  3.09385 29.1723      3.3242   31.4828      3.38535  75.7958     333.416     40.0497     333.416     
1 1 1 5  24 37 o 21.1067 5.72689 4.31         2.6003   2.62036      2.73462  15.4101     213.311     3.25279     213.311     
1 1 1 5  24 38 o 17.104  5.26722 2.12116      2.5708   0.719396     2.69176  8.84617     96.7194     2.95351     96.7194     
1 1 1 5  24 39 o 16.9724 5.05817 1.38434      2.24614  2.08213      2.27913  8.69442     336.48      2.933       156.48      
1 1 1 5  24 40 o 20.3493 5.74845 3.74817      2.6972   3.33197      2.75342  13.6958     86.0591     4.17045     86.0591     
1 1 1 5  24 41 o 16.965  5.01044 3.37251      2.33085  -0.084394    2.33167  8.0582      187.799     4.56201     7.79942     
1 1 1 5  24 42 o 17.8925 5.03378 4.87176      2.48952  -1.30521     2.35506  8.29082     40.8023     0.0415659   220.801     
1 1 1 5  24 43 o 14.6978 4.60577 -2.83374     2.24879  2.71356      2.32725  1.73393     235.59      5.25536     55.5903     
1 1 1 5  24 44 o 14.5799 4.61154 1.44765      2.02277  -0.236093    2.35919  1.47221     29.7144     2.25298     209.714     
1 1 1 5  24 45 o 14.7935 4.72053 0.472365     2.13899  1.78819      2.4163   4.27898     198.602     5.29175     18.6023     
1 1 1 5  24 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  25 0  o 10.1456 4.40817 0.498155     1.33146  0.498155     1.33146  1.24088     270         3.57309     270         
1 1 1 5  25 1  o 31.759  3.88796 6.54946      2.02811  5.25774      1.6423   23.1762     294.612     2.06806     294.612     
1 1 1 5  25 2  o 45.4216 3.16874 9.28332      2.18414  14.3293      2.05735  34.2181     120.815     2.0949      300.815     
1 1 1 5  25 3  o 108.924 2.3087  66.8533      3.99215  64.5853      3.74325  98.4903     215.479     19.6027     215.479     
1 1 1 5  25 4  o 20.8059 4.17827 3.52469      1.47623  1.52373      1.45232  1.05211     26.4419     0.0878959   206.442     
1 1 1 5  25 5  o 33.0974 3.76734 7.04693      1.8581   5.71321      1.83893  19.1568     185.753     10.882      5.75289     
1 1 1 5  25 6  o 24.9113 3.61995 8.06656      1.72575  -3.34889     2.32459  10.6503     198.509     12.5406     18.5094     
1 1 1 5  25 7  o 37.8829 3.7612  8.82032      2.12618  7.79962      2.13281  33.8609     235.348     12.9859     235.348     
1 1 1 5  25 8  o 22.1523 4.72979 2.09188      1.77626  3.68936      1.79863  0.270114    22.6983     31.7144     22.6983     
1 1 1 5  25 9  o 50.6294 3.14116 13.3455      2.4056   15.7173      2.43016  49.7336     204.649     21.4075     204.649     
1 1 1 5  25 10 o 49.7908 3.24079 12.2964      2.43058  15.9725      2.44635  34.3623     35.0493     9.81573     215.049     
1 1 1 5  25 11 o 15.262  4.42112 1.19616      1.63898  -0.24951     1.77189  0.094157    184.663     11.4932     4.66274     
1 1 1 5  25 12 o 39.5274 4.56417 10.4294      2.39382  8.22233      2.86268  39.0622     246.309     21.1703     246.309     
1 1 1 5  25 13 o 69.4245 3.05471 23.6626      2.96494  31.0378      3.54181  65.5106     10.2565     19.8462     10.2565     
1 1 1 5  25 14 o 77.832  3.09185 34.6689      3.54137  33.8676      3.82915  51.5682     139.959     22.8074     319.959     
1 1 1 5  25 15 o 46.0117 4.12296 11.2041      2.81507  13.7492      2.87168  33.2335     9.3869      6.18956     189.387     
1 1 1 5  25 16 o 135.151 2.72055 102.517      5.92314  102.576      5.3739   128.777     110.095     37.7098     110.095     
1 1 1 5  25 17 o 42.9287 4.09254 11.3526      2.63388  10.4773      2.63455  29.2392     107.648     9.2161      287.648     
1 1 1 5  25 18 f 29.2698 5.14357 3.85572      2.32658  7.06469      2.39949  27.5614     165.535     0           0           
1 1 1 5  25 19 o 42.6047 4.89096 13.0471      2.55552  9.40365      3.36898  24.7056     199.358     17.4189     19.3583     
1 1 1 5  25 20 o 34.1021 5.45238 7.73692      2.5101   7.24737      3.08733  30.2476     191.936     11.7192     191.936     
1 1 1 5  25 21 o 31.8769 5.68507 6.24367      2.48844  7.19983      3.09565  7.99334     2.15917     32.7287     182.159     
1 1 1 5  25 22 o 41.6089 4.43713 10.8018      2.9365   10.409       2.56142  34.2223     353.518     4.93348     353.518     
1 1 1 5  25 23 o 42.6432 5.25859 13.0349      3.61864  10.3128      3.04556  24.3405     2.10814     17.4962     182.108     
1 1 1 5  25 24 o 35.8322 5.0299  6.77856      2.46144  9.76895      2.90685  27.023      330.58      0.799724    330.58      
1 1 1 5  25 25 o 17.0885 4.86986 -0.115969    1.96139  2.27429      2.13165  4.00671     84.0132     9.24477     264.013     
1 1 1 5  25 26 o 33.7262 4.81011 7.19486      2.30472  7.4861       2.51809  30.304      204.453     12.6856     204.453     
1 1 1 5  25 27 o 21.9096 5.28456 4.2566       2.15179  1.83199      2.36535  10.5581     5.241       7.86642     185.241     
1 1 1 5  25 28 o 20.8015 5.12046 1.10309      2.14556  4.27358      2.17826  12.2486     64.6026     1.15017     64.6026     
1 1 1 5  25 29 o 20.201  5.28818 1.9271       2.14684  3.36906      2.26793  9.59157     288.241     7.90627     108.241     
1 1 1 5  25 30 o 14.8224 4.64547 -0.114993    2.1189   0.463004     2.10112  5.44729     357.943     3.55212     177.943     
1 1 1 5  25 31 o 11.5117 3.94182 -2.92771     2.30431  -2.23457     2.00252  1.37574     331.063     14.9273     331.063     
1 1 1 5  25 32 o 21.3247 5.35549 1.11515      2.58472  4.813        2.31372  13.9149     220.309     3.64608     220.309     
1 1 1 5  25 33 o 45.3254 5.01004 14.6063      3.60986  14.072       3.13103  37.3766     263.911     5.10739     263.911     
1 1 1 5  25 34 o 28.4424 6.12839 8.72694      3.21889  4.89838      2.75601  18.8972     176.647     3.88493     356.647     
1 1 1 5  25 35 o 20.5158 5.33748 4.92697      2.4445   1.16278      2.34082  14.5101     12.7552     1.52732     12.7552     
1 1 1 5  25 36 o 15.9146 4.93933 -1.30175     2.51152  2.39175      2.42851  3.04264     330.317     1.08551     330.317     
1 1 1 5  25 37 o 15.9618 5.03494 1.48563      2.62263  0.454566     2.4044   7.04478     287.12      3.7629      107.12      
1 1 1 5  25 38 o 13.2338 4.36118 -0.958671    2.14936  -0.0762962   2.20291  2.05196     140.101     0.980411    320.101     
1 1 1 5  25 39 o 15.9884 5.07609 0.699023     2.5988   1.52115      2.61283  1.60588     287.702     0.419873    287.702     
1 1 1 5  25 40 o 21.4279 5.80492 3.44555      2.51663  5.18311      2.85714  11.9036     225.751     3.53186     45.7514     
1 1 1 5  25 41 o 14.8957 4.61818 -2.99372     2.23177  2.97851      2.32966  1.96066     247.17      6.5539      67.1696     
1 1 1 5  25 42 o 26.612  5.27925 9.42228      2.61863  2.98754      2.58398  17.9824     347.185     0.503188    347.185     
1 1 1 5  25 43 o 18.4657 5.38333 2.87158      2.43469  3.64656      2.52307  8.97132     25.0768     2.12178     205.077     
1 1 1 5  25 44 o 13.9366 4.56145 1.78717      2.37003  -1.52514     2.42925  3.24011     185.417     0.144167    5.41664     
1 1 1 5  25 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  26 0  o 63.7851 2.49192 22.6002      2.43041  22.6002      2.43041  60.7993     270         17.8253     270         
1 1 1 5  26 1  o 14.9686 4.17608 1.26225      1.44011  0.277226     1.44843  1.20553     260.394     4.56639     80.3937     
1 1 1 5  26 2  o 71.3492 2.45881 26.6371      2.59821  30.2065      2.78912  65.7948     56.622      17.8167     56.622      
1 1 1 5  26 3  o 96.0379 2.2684  54.2746      3.47216  48.2644      3.229    94.7365     125.436     35.0651     125.436     
1 1 1 5  26 4  o 53.1029 2.75692 15.9087      2.34411  15.8233      2.12761  42.1713     165.038     0.572359    165.038     
1 1 1 5  26 5  o 35.0143 4.35636 6.69064      2.49361  7.943        1.95726  20.4815     110.363     12.5067     290.363     
1 1 1 5  26 6  o 66.3702 2.62966 22.8492      2.53453  26.6027      2.82166  48.7538     76.6699     8.62594     256.67      
1 1 1 5  26 7  o 71.9209 2.94385 32.4102      3.4386   26.165       3.0558   48.5593     152.709     18.2883     332.709     
1 1 1 5  26 8  o 21.3151 5.02276 1.59694      2.19426  3.44618      1.8541   6.90781     40.5822     15.9625     220.582     
1 1 1 5  26 9  o 23.44   4.95431 2.70264      2.01419  3.98148      1.89892  3.84599     124.519     27.1429     304.519     
1 1 1 5  26 10 o 43.0198 3.56721 11.893       2.30693  9.63044      2.30277  38.9        161.831     11.0899     161.831     
1 1 1 5  26 11 o 54.6872 3.12617 15.5297      2.58517  18.6895      2.61832  37.0842     98.533      12.7651     278.533     
1 1 1 5  26 12 o 34.8737 4.71151 6.70824      2.43002  8.26202      2.44007  23.4946     261.152     6.13597     81.1524     
1 1 1 5  26 13 o 53.7194 3.86548 15.9875      3.19207  17.9444      3.09405  43.4442     321.372     2.2896      321.372     
1 1 1 5  26 14 o 79.7713 2.97816 32.4604      3.30237  40.2384      3.99801  63.2624     218.413     1.00101     38.413      
1 1 1 5  26 15 o 48.3264 3.67089 13.5067      2.51018  13.9025      2.85701  38.447      189.885     1.66547     189.885     
1 1 1 5  26 16 o 71.1305 3.27807 31.1481      3.42921  27.3286      3.67408  60.419      81.659      8.03887     81.659      
1 1 1 5  26 17 o 19.7011 5.07469 3.44078      2.14309  0.526741     2.11933  7.93235     88.1942     3.12568     268.194     
1 1 1 5  26 18 o 19.9402 5.24769 -0.163422    2.35558  3.80387      2.37759  4.24919     114.678     17.3643     294.678     
1 1 1 5  26 19 o 18.1412 5.18654 1.64844      1.99279  1.00444      2.54758  5.28946     211.318     5.23083     31.3185     
1 1 1 5  26 20 o 16.0898 4.93789 0.255076     2.098    0.372685     2.43352  2.46024     218.577     6.50838     38.5773     
1 1 1 5  26 21 o 113.056 2.91855 71.7222      4.74907  75.0303      5.38548  106.243     179.301     32.3583     179.301     
1 1 1 5  26 22 o 50.8787 4.69672 16.5287      3.77187  16.1082      3.40027  36.7648     241.3       5.47523     61.3001     
1 1 1 5  26 23 o 92.8753 3.15202 53.7228      4.15239  47.161       4.74665  85.6556     254.306     24.1035     254.306     
1 1 1 5  26 24 o 60.9692 3.43705 22.9319      3.18539  21.4751      3.21037  56.7161     323.486     18.2881     323.486     
1 1 1 5  26 25 o 25.0448 5.72911 5.12684      2.62515  3.91859      2.43145  16.9901     225.712     0.239993    225.712     
1 1 1 5  26 26 o 18.3523 5.26691 1.68678      2.1841   1.94075      2.46184  6.16939     150.806     1.87391     150.806     
1 1 1 5  26 27 o 31.9719 5.80388 5.10834      2.36089  10.5026      3.46422  22.9868     69.106      1.73532     249.106     
1 1 1 5  26 28 f 20.0373 5.69685 1.75686      2.17911  3.6202       3.1718   5.83262     191.247     0           0           
1 1 1 5  26 29 o 26.3535 5.18208 7.58076      2.31728  2.14074      2.78582  18.2134     247.54      0.808064    67.5399     
1 1 1 5  26 30 o 17.0306 4.85026 3.27573      2.20418  -1.35995     2.2268   6.24499     157.167     6.70136     337.166     
1 1 1 5  26 31 o 27.0241 5.33574 2.92372      2.69594  8.09613      2.48616  20.8406     308.887     3.66106     308.887     
1 1 1 5  26 32 o 15.4986 4.90212 -0.0615134   2.37486  1.06265      2.44433  5.13351     311.55      9.29176     131.55      
1 1 1 5  26 33 o 24.3185 5.75682 6.65557      2.70416  3.17546      2.64651  17.0677     110.505     0.247806    290.505     
1 1 1 5  26 34 o 14.5458 4.7131  0.845921     2.54446  -0.76614     2.21553  5.0526      350.188     6.19336     170.188     
1 1 1 5  26 35 o 15.5288 4.92081 0.768592     2.42215  0.799119     2.43898  6.12682     97.2711     4.74557     277.271     
1 1 1 5  26 36 o 20.1432 5.80621 2.55768      2.77008  4.49614      2.95635  6.33522     280.48      3.60468     280.48      
1 1 1 5  26 37 o 11.9047 4.07108 -4.71024     2.55151  -0.508181    2.21335  1.35284     65.0134     8.16811     245.013     
1 1 1 5  26 38 o 14.7898 4.80367 -1.60016     2.57495  1.73928      2.57647  2.4724      333.672     2.23302     153.672     
1 1 1 5  26 39 o 12.6208 4.26203 -0.205036    2.15584  -3.11131     2.67919  0.26923     126.817     4.99298     126.817     
1 1 1 5  26 40 o 13.8178 4.58911 0.558757     2.60841  -1.06698     2.34621  1.00952     306.994     8.07824     126.994     
1 1 1 5  26 41 o 12.962  4.36277 -1.99648     2.62129  0.339771     2.28824  1.07192     241.294     1.98615     61.2942     
1 1 1 5  26 42 o 13.0194 4.40591 0.879297     2.64254  -2.35352     2.35174  3.50973     104.876     2.53766     284.876     
1 1 1 5  26 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  27 0  o 14.6604 5.39954 1.83955      1.58817  1.83955      1.58817  2.78472     90          7.27233     270         
1 1 1 5  27 1  o 37.1242 3.59414 7.92863      2.08153  8.24119      1.90897  23.6284     351.856     9.43566     171.856     
1 1 1 5  27 2  o 15.1251 4.36084 1.13089      1.62561  0.230238     1.61224  2.40729     214.951     8.59591     34.9507     
1 1 1 5  27 3  o 39.619  3.37981 7.14083      1.96771  11.3224      1.96091  30.9379     312.606     1.5809      312.606     
1 1 1 5  27 4  o 29.6219 4.38244 4.58724      1.94065  6.20974      1.93226  19.8796     253.543     3.11071     73.543      
1 1 1 5  27 5  o 54.6546 3.12349 19.8322      2.42675  14.6146      2.67592  50.9833     305.896     17.1102     305.896     
1 1 1 5  27 6  o 45.039  3.574   10.7898      2.41496  12.9859      2.43751  39.1708     11.7636     9.52923     11.7636     
1 1 1 5  27 7  o 16.7348 4.61115 2.07863      1.7847   0.0592519    1.80182  3.9122      95.4332     7.88258     275.433     
1 1 1 5  27 8  o 17.4958 4.4182  -1.26265     1.79203  3.28075      1.82302  1.89096     263.717     0.572709    83.7174     
1 1 1 5  27 9  o 31.4879 4.55126 6.04373      2.11579  6.26185      2.1488   16.4737     226.387     13.6371     46.3873     
1 1 1 5  27 10 o 67.1841 2.94076 25.6446      3.01788  25.9799      3.03708  55.5977     41.58       5.64505     41.5801     
1 1 1 5  27 11 o 37.2943 4.7474  5.93391      2.56677  11.8121      2.58253  30.8496     274.837     7.00387     274.837     
1 1 1 5  27 12 o 37.8149 4.60574 8.89533      2.57842  8.82901      2.59185  35.1011     77.1514     16.0517     77.1514     
1 1 1 5  27 13 o 34.3213 4.68675 7.48026      2.5052   7.26082      2.26732  30.2876     262.81      12.8324     262.81      
1 1 1 5  27 14 o 31.5016 5.15649 8.26429      2.64031  4.73894      2.32587  26.1885     342.193     10.4502     342.193     
1 1 1 5  27 15 o 17.2784 4.94961 -0.515865    2.23728  2.24892      2.11163  2.61477     180.672     2.02806     0.671693    
1 1 1 5  27 16 o 82.1731 3.21078 41.0305      3.81626  37.3805      4.23238  78.9773     209.204     28.9984     209.204     
1 1 1 5  27 17 o 23.7731 5.08074 4.87036      2.05074  2.40933      2.17873  6.48788     125.449     20.4463     305.449     
1 1 1 5  27 18 o 19.9865 5.20145 2.08097      2.08661  2.71759      2.13577  7.60526     108.695     8.8044      288.695     
1 1 1 5  27 19 o 62.8029 3.86042 22.189       3.81923  25.7131      3.50858  45.7298     186.003     6.56494     6.00289     
1 1 1 5  27 20 o 16.4626 4.85338 0.310931     2.04484  1.60158      2.09105  4.51959     316.081     4.23576     136.081     
1 1 1 5  27 21 o 13.4287 4.39776 0.0811502    2.34478  -2.16299     1.96329  1.39422     298.227     5.01145     118.227     
1 1 1 5  27 22 f 41.952  4.67304 9.71034      2.67897  13.4947      3.16118  33.0663     34.3702     0           0           
1 1 1 5  27 23 o 36.4935 4.81492 9.88199      2.57923  8.0034       2.61896  27.9743     355.081     0.98345     355.081     
1 1 1 5  27 24 o 37.1483 5.03938 8.65485      2.63106  10.2995      2.92847  36.561      304.47      18.575      304.47      
1 1 1 5  27 25 o 20.5023 5.44798 3.72207      2.28919  1.79056      2.56049  11.4717     38.4919     3.26207     218.492     
1 1 1 5  27 26 o 25.8103 5.55898 3.37923      2.49954  6.64879      2.54463  20.3298     33.6703     7.63006     33.6703     
1 1 1 5  27 27 o 20.7679 5.62574 2.827        2.19649  3.5072       2.84517  8.588       157.48      10.4012     337.48      
1 1 1 5  27 28 o 17.2929 5.13116 2.9651       2.34675  -1.20003     2.78058  8.06049     58.4557     2.88367     238.456     
1 1 1 5  27 29 o 14.2199 4.6549  -0.375971    2.06485  -0.369292    2.73578  4.69551     304.433     1.20764     124.433     
1 1 1 5  27 30 o 17.339  5.10469 3.15767      2.25499  -1.22945     2.90689  6.73867     38.0965     9.75399     218.096     
1 1 1 5  27 31 o 19.7698 5.39723 4.95155      2.57264  0.355182     2.60123  11.2148     185.938     3.65594     5.93795     
1 1 1 5  27 32 o 29.2646 5.60406 8.61073      2.56476  5.54194      2.84186  23.5618     222.05      5.56452     222.05      
1 1 1 5  27 33 o 15.2558 4.82666 -0.256138    2.2495   1.62514      2.44336  1.45455     328.225     0.184643    328.224     
1 1 1 5  27 34 o 19.9795 5.5306  4.71361      2.51833  1.77034      2.75024  11.9062     49.812      5.04735     49.812      
1 1 1 5  27 35 o 14.5185 4.75229 0.867903     2.56094  -0.758044    2.49332  3.3998      218.411     8.12719     38.4105     
1 1 1 5  27 36 o 15.9904 4.99402 0.208234     2.28621  2.38175      2.57374  3.37118     193.898     2.89612     13.8976     
1 1 1 5  27 37 o 16.0062 5.13398 2.43162      2.64137  -1.34922     3.23853  2.44697     263.599     4.88969     83.5989     
1 1 1 5  27 38 o 12.9189 4.40244 -1.26493     2.2273   -1.06081     2.92834  0.383117    80.8209     2.16549     260.821     
1 1 1 5  27 39 o 18.5625 5.52318 3.43533      2.48163  3.51974      2.92271  7.96481     42.4351     6.55911     222.435     
1 1 1 5  27 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  28 0  o 56.6647 3.03205 18.2237      2.61     18.2237      2.61     52.9109     270         15.8594     270         
1 1 1 5  28 1  o 25.4578 4.72253 3.63749      1.82835  4.60868      1.93111  10.7082     233.035     13.9433     53.0348     
1 1 1 5  28 2  o 21.3327 4.86438 2.24541      1.83913  3.3844       1.84237  9.81295     155.53      0.124226    335.53      
1 1 1 5  28 3  o 32.1173 4.33242 8.11058      2.24826  4.81395      1.88913  22.3527     351.76      1.16767     171.76      
1 1 1 5  28 4  o 22.3362 5.128   2.9953       1.93326  3.31849      2.1028   11.4776     245.486     1.14923     65.4861     
1 1 1 5  28 5  o 16.2602 4.53651 1.74336      1.59474  0.166677     1.9082   1.2085      21.8036     1.56884     201.804     
1 1 1 5  28 6  o 35.7085 4.35185 7.20959      2.28611  8.52316      2.31979  28.559      102.156     5.74558     102.156     
1 1 1 5  28 7  o 12.8567 4.13775 -0.914187    1.78328  -0.530021    1.81579  2.39193     304.309     14.6168     304.309     
1 1 1 5  28 8  o 46.704  3.66589 13.3088      2.59487  12.623       2.5876   34.2857     60.5992     2.40756     240.599     
1 1 1 5  28 9  o 61.721  3.28444 19.6685      3.14803  24.9336      2.98013  54.2459     158.512     13.3398     158.512     
1 1 1 5  28 10 o 26.3593 5.58034 3.95129      2.56471  5.41564      2.39305  14.9826     131.286     5.56275     311.286     
1 1 1 5  28 11 o 41.0266 4.58882 11.3375      2.80232  9.88073      2.79199  35.7352     174.233     11.0553     174.233     
1 1 1 5  28 12 f 11.0511 3.72635 -1.95856     1.75837  -1.77532     1.76283  7.73643     148.053     0           0           
1 1 1 5  28 13 o 49.8285 3.70882 16.2516      2.6864   13.7294      2.86949  41.2887     95.1661     6.6976      95.1661     
1 1 1 5  28 14 o 33.9732 4.86949 9.49108      2.46176  5.81181      2.46013  25.8609     231.336     2.55873     231.336     
1 1 1 5  28 15 o 14.3362 4.46498 0.682709     1.97441  -0.654115    1.89803  1.85992     161.338     4.78894     341.338     
1 1 1 5  28 16 o 17.2109 4.72666 -0.973564    1.94893  3.16851      2.08346  5.95098     73.0354     1.4282      253.035     
1 1 1 5  28 17 o 27.2128 4.9742  2.77608      2.18897  7.53787      2.3217   19.0973     197.19      0.0689884   197.191     
1 1 1 5  28 18 o 48.0743 4.24903 17.5009      2.89017  12.0575      3.07207  50.4376     287.622     28.7506     287.622     
1 1 1 5  28 19 o 24.0699 5.58036 4.18071      2.46056  4.29092      2.31837  14.298      109.353     5.08114     289.353     
1 1 1 5  28 20 f 13.4348 4.5058  -0.815921    2.82961  -2.01507     2.02372  4.77151     235.8       0           0           
1 1 1 5  28 21 o 31.6105 5.80964 10.9672      3.14895  4.44972      2.99355  13.9682     102.143     19.0504     282.143     
1 1 1 5  28 22 o 27.4605 5.94241 5.50195      3.08111  6.21064      2.51573  20.7871     161.194     4.37664     161.194     
1 1 1 5  28 23 o 25.8236 5.73017 6.23281      2.64662  4.12047      2.5005   14.0873     11.2694     7.80143     191.269     
1 1 1 5  28 24 o 25.3984 5.66115 2.46525      2.44821  7.77336      2.89227  7.82726     45.7529     21.0538     225.753     
1 1 1 5  28 25 f 32.5552 5.24106 4.97267      2.64523  11.0972      2.71593  20.1033     168.769     0           0           
1 1 1 5  28 26 o 17.0017 5.09628 0.142312     2.3549   2.61672      2.41192  6.48118     14.2043     2.68436     14.2042     
1 1 1 5  28 27 o 17.7098 5.26142 1.84378      2.36334  2.03827      2.49557  10.4165     61.0181     1.89335     61.0181     
1 1 1 5  28 28 o 32.1225 6.06257 7.80393      3.03597  9.6396       3.1052   26.1351     185.379     6.02748     185.379     
1 1 1 5  28 29 o 12.9438 4.3433  -0.057389    2.34881  -2.81302     2.40782  2.79844     159.896     5.58295     339.896     
1 1 1 5  28 30 o 17.3184 5.30579 -0.974033    2.5584   3.98265      2.93357  5.22293     321.729     11.8765     141.729     
1 1 1 5  28 31 o 18.6289 5.46312 1.59841      2.49772  3.83555      2.7129   7.4409      15.0345     9.29946     195.035     
1 1 1 5  28 32 o 17.6802 5.24522 3.31018      2.30483  0.435632     2.9417   8.11304     326.373     4.27222     146.373     
1 1 1 5  28 33 o 20.2507 5.57612 4.81695      2.56878  2.30173      2.63474  10.057      260.075     2.47724     80.0747     
1 1 1 5  28 34 o 12.9458 4.37886 -0.992246    2.34114  -1.45783     2.61007  0.00744086  301.875     0.81848     301.875     
1 1 1 5  28 35 o 15.7599 4.93225 0.254148     2.36156  2.23651      2.43647  2.66353     11.7217     3.63518     191.722     
1 1 1 5  28 36 o 28.1257 6.53658 9.00831      3.07971  8.72336      3.58039  16.8366     292.243     4.83963     112.243     
1 1 1 5  28 37 o 14.5407 4.84635 0.941811     2.39057  -0.328806    3.4297   2.51374     245.718     11.8512     65.7179     
1 1 1 5  28 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  29 0  o 39.3597 3.71735 9.27144      2.14063  9.27144      2.14063  47.1762     270         33.8962     270         
1 1 1 5  29 1  o 34.8913 4.61214 7.02983      2.31654  8.67374      2.45654  23.3652     279.722     4.28113     99.7221     
1 1 1 5  29 2  o 15.0685 4.50458 0.406174     1.85108  0.811307     1.75674  1.78078     60.1409     2.84178     240.141     
1 1 1 5  29 3  o 25.5921 4.74935 2.64567      2.11465  5.98413      1.92578  15.5581     88.0308     3.31035     268.031     
1 1 1 5  29 4  o 25.4934 5.22337 4.8026       1.96412  4.02446      2.45148  18.1172     356.556     6.13784     356.556     
1 1 1 5  29 5  o 35.5005 4.38507 6.80043      2.44     9.28214      2.08128  24.5223     73.8163     3.05223     253.816     
1 1 1 5  29 6  o 22.6764 5.30069 2.99822      2.18598  3.98718      2.15331  8.36595     173.19      14.085      353.19      
1 1 1 5  29 7  o 30.8175 5.03404 8.40474      2.36372  4.56615      2.42912  17.0903     149.177     10.5601     329.177     
1 1 1 5  29 8  o 57.5866 3.65528 19.9785      3.38505  20.316       3.00526  47.6604     206.838     7.30937     206.838     
1 1 1 5  29 9  o 22.057  5.15807 5.8404       2.45299  -0.118378    2.40779  10.5885     338.88      5.30409     338.88      
1 1 1 5  29 10 o 19.0607 5.27946 1.85939      2.1341   2.4589       2.37298  5.40334     283.062     14.1186     103.062     
1 1 1 5  29 11 o 23.0348 5.40502 3.27892      2.18023  4.22783      2.30798  14.893      35.8419     0.0145753   35.8366     
1 1 1 5  29 12 f 20.705  5.38445 3.01098      2.25345  2.78726      2.25971  6.6538      259.359     0           0           
1 1 1 5  29 13 o 16.2676 4.89728 0.901398     2.12643  1.00452      2.17655  6.67943     205.214     0.941823    25.2144     
1 1 1 5  29 14 o 17.3894 4.97762 1.69973      2.07184  1.49382      2.06798  7.85552     179.665     4.74239     359.665     
1 1 1 5  29 15 o 16.9796 4.93348 1.80918      2.0709   0.967303     2.09535  6.31075     219.054     7.62328     39.0542     
1 1 1 5  29 16 o 40.2182 4.72615 7.70689      2.71744  14.335       2.75867  34.7293     39.1931     10.0342     39.1931     
1 1 1 5  29 17 o 70.0232 3.49877 26.5061      3.5898   33.9009      3.89156  59.6732     182.333     12.07       182.333     
1 1 1 5  29 18 o 33.6202 5.04835 4.75076      2.60971  11.706       2.62215  24.3075     261.669     0.0136172   261.668     
1 1 1 5  29 19 o 22.7067 5.54608 2.1058       2.76057  5.3603       2.38869  14.5853     195.82      1.30666     195.82      
1 1 1 5  29 20 o 42.8515 5.27556 13.1096      3.33614  13.318       3.37342  28.3656     269.706     7.4952      89.7061     
1 1 1 5  29 21 o 22.9144 5.60201 3.61472      2.38292  4.66691      2.45024  15.8758     15.7249     1.87937     15.7249     
1 1 1 5  29 22 o 16.6229 5.03161 1.29744      2.2516   1.40971      2.33497  8.57448     102.208     1.6626      282.208     
1 1 1 5  29 23 o 21.6876 5.44189 1.77533      2.43219  5.45939      2.47806  15.1554     27.605      1.92347     27.605      
1 1 1 5  29 24 o 33.7281 5.28815 7.55332      2.72699  9.76608      2.64238  27.0271     289.001     5.02688     289.001     
1 1 1 5  29 25 o 12.76   4.26267 -0.819554    2.25358  -1.25442     2.14376  2.58097     256.724     3.09705     76.724      
1 1 1 5  29 26 o 27.5325 5.61607 8.14833      2.67562  4.62238      2.53393  17.7564     280.705     3.30396     100.705     
1 1 1 5  29 27 o 14.9705 4.5875  -3.78466     2.33683  2.94872      2.25664  4.35008     200.745     0.477908    20.7453     
1 1 1 5  29 28 o 20.5914 5.96462 4.61748      3.0386   3.28622      3.02863  10.9835     72.8588     4.31843     252.859     
1 1 1 5  29 29 o 20.289  5.95659 3.45727      3.01098  4.2631       3.11412  11.3022     157.105     1.0671      337.105     
1 1 1 5  29 30 f 20.0986 5.92235 3.60373      3.33771  3.95334      2.81684  12.0703     94.41       0           0           
1 1 1 5  29 31 o 14.6794 4.85124 -2.1597      2.7012   1.5832       2.83953  1.04786     98.8116     5.07986     278.812     
1 1 1 5  29 32 o 17.5341 5.16586 5.62395      2.88505  -3.8453      2.72854  1.64993     117.863     0.421207    297.863     
1 1 1 5  29 33 o 15.9185 5.2483  0.751505     2.91158  1.73713      3.37032  3.36008     223.95      9.24576     43.9495     
1 1 1 5  29 34 o 12.0992 4.16529 -1.31048     2.31088  -2.0504      2.68764  0.717762    138.582     1.9787      318.582     
1 1 1 5  29 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  29 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  30 0  o 22.079  6.67705 4.36168      2.31622  4.36168      2.31622  16.2456     90          0.584698    270         
1 1 1 5  30 1  o 65.9834 2.87117 24.3819      2.80781  26.9317      2.99956  57.9782     189.064     15.3609     189.064     
1 1 1 5  30 2  o 16.9717 4.97861 0.272719     1.97755  2.35427      2.34936  1.80242     98.3549     18.8441     278.355     
1 1 1 5  30 3  f 28.0352 4.80678 2.51408      2.26606  8.556        2.28136  26.0481     210.716     0           0           
1 1 1 5  30 4  o 46.199  3.66371 12.3416      2.5644   14.1033      2.54247  37.1281     192.342     4.91384     192.342     
1 1 1 5  30 5  o 22.4625 5.06047 2.17807      1.76808  5.04648      2.27758  8.3929      231.864     14.5089     51.8637     
1 1 1 5  30 6  o 13.0048 4.26787 -0.33893     2.03903  -1.64784     2.09077  1.7151      198.389     3.18527     18.3889     
1 1 1 5  30 7  o 15.9666 4.95039 1.80087      2.42663  -1.24896     2.42908  1.19599     286.74      0.00174628  286.741     
1 1 1 5  30 8  o 44.6959 4.82754 15.7319      3.19703  11.3393      3.15447  33.6196     340.929     0.602672    340.929     
1 1 1 5  30 9  o 32.4952 5.13499 6.53414      2.51885  8.36562      2.50533  20.8991     107.264     5.16285     287.264     
1 1 1 5  30 10 o 16.3125 4.74689 2.78388      2.12825  -1.62239     2.19619  4.36591     138.831     0.835364    318.831     
1 1 1 5  30 11 o 15.5371 4.9122  1.19451      2.62497  -0.528629    2.1791   3.97084     223.328     3.87624     43.3285     
1 1 1 5  30 12 o 39.2832 4.76069 8.7052       2.77998  12.4541      2.68989  32.7468     188.419     8.52446     188.419     
1 1 1 5  30 13 o 25.2204 5.51179 4.60719      2.37188  5.106        2.34926  15.8237     294.346     2.18007     114.346     
1 1 1 5  30 14 o 27.4503 4.91632 9.16248      2.45664  1.90305      2.4313   14.8504     134.269     9.30424     314.269     
1 1 1 5  30 15 o 16.3922 4.89056 2.16913      2.16633  0.0800045    2.19077  4.72696     134.86      10.5377     314.86      
1 1 1 5  30 16 o 21.4574 5.5436  2.94461      2.29863  4.23116      2.49298  14.1851     269.784     1.3504      269.784     
1 1 1 5  30 17 o 17.6437 5.12445 -0.0986751   2.3153   3.3913       2.42228  7.14562     1.06912     8.67093     181.069     
1 1 1 5  30 18 o 19.4447 5.35736 0.985821     2.59201  4.08491      2.37444  6.06189     321.33      14.5956     141.33      
1 1 1 5  30 19 o 16.261  5.12097 1.95123      2.6265   -0.373453    2.66205  5.57316     214.241     1.46407     214.241     
1 1 1 5  30 20 o 24.636  5.95293 5.83279      2.58671  4.74602      2.9564   14.5446     130.476     4.82425     310.476     
1 1 1 5  30 21 o 22.6278 5.69016 4.84637      2.49215  3.90587      2.52424  7.28253     131.169     16.9848     311.169     
1 1 1 5  30 22 o 21.4087 5.50159 5.11734      2.47338  2.47313      2.39331  9.89551     199.179     5.92871     199.179     
1 1 1 5  30 23 f 19.679  5.36227 1.54293      2.50561  4.40289      2.37279  12.6787     187.549     0           0           
1 1 1 5  30 24 o 23.6618 5.60152 7.21361      2.62251  2.45719      2.82301  8.47117     43.2475     16.0855     223.247     
1 1 1 5  30 25 o 14.1689 4.61383 0.0675078    2.4048   0.129806     2.2459   3.01911     328.168     9.02174     148.168     
1 1 1 5  30 26 o 12.9024 4.31575 0.198743     2.34036  -2.11496     2.231    1.0434      68.2877     5.44541     248.288     
1 1 1 5  30 27 o 16.423  5.20363 2.50697      2.86943  0.24223      2.59427  3.63154     218.09      5.77317     38.0902     
1 1 1 5  30 28 o 15.9827 5.10287 2.97845      2.88083  -1.18376     2.61462  1.34502     175.733     2.58694     355.733     
1 1 1 5  30 29 o 14.9999 4.8631  0.819393     2.57012  0.493483     2.51824  1.60737     216.048     3.41808     36.0482     
1 1 1 5  30 30 o 15.251  4.93382 2.7288       2.78486  -0.941998    2.50442  1.18591     147.091     0.735861    327.091     
1 1 1 5  30 31 o 13.1452 4.46269 -2.06078     3.07213  0.049488     2.33641  2.17852     36.6698     5.41001     216.67      
1 1 1 5  30 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  30 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  31 0  o 46.6285 3.76077 13.1802      2.60959  13.1802      2.60959  49.0397     270         26.9585     270         
1 1 1 5  31 1  f 19.4595 5.29957 2.97176      2.23785  2.29198      2.26364  18.2846     167.437     0           0           
1 1 1 5  31 2  o 11.7595 3.95272 -1.93448     2.01885  -1.15146     1.89534  0.0659624   66.7068     10.2117     66.7067     
1 1 1 5  31 3  o 26.1519 5.5855  6.83992      2.62785  3.89331      2.36588  19.6257     156.853     4.92819     156.853     
1 1 1 5  31 4  o 19.253  5.05984 3.49396      2.00092  1.38358      2.22235  7.982       46.6846     8.72061     226.685     
1 1 1 5  31 5  o 21.6932 5.63267 3.20611      2.52358  4.06927      2.44405  12.0045     24.5026     4.13123     204.503     
1 1 1 5  31 6  o 29.1429 6.21671 6.12683      3.06596  8.19822      3.05891  19.5558     98.459      1.62905     278.459     
1 1 1 5  31 7  o 27.8816 6.22564 6.90407      3.03169  6.3677       2.94962  21.5859     244.47      5.47625     244.47      
1 1 1 5  31 8  o 33.2902 5.48564 8.23169      2.64511  8.6152       2.87512  28.2432     98.1805     9.32258     98.1805     
1 1 1 5  31 9  o 20.0425 5.45886 4.52806      2.56026  1.20069      2.46161  13.4177     29.0245     3.88767     29.0245     
1 1 1 5  31 10 f 20.357  5.5541  2.82778      2.48386  3.54339      2.46461  9.59575     132.693     0           0           
1 1 1 5  31 11 o 19.9279 5.49422 3.53023      2.496    2.51252      2.38524  12.5416     204.425     0.493683    204.425     
1 1 1 5  31 12 o 17.0582 5.03693 0.262053     2.29673  2.79149      2.29149  8.75306     251.206     1.65799     71.2061     
1 1 1 5  31 13 o 22.9722 5.40336 6.19105      2.44691  2.15348      2.44833  13.3573     221.647     4.37058     41.6472     
1 1 1 5  31 14 o 25.2728 5.44829 7.09392      2.47645  3.29401      2.48332  18.3513     157.756     2.8731      157.756     
1 1 1 5  31 15 o 14.1704 4.51894 -1.95165     2.18523  1.55927      2.20335  4.26303     266.134     3.71008     86.1336     
1 1 1 5  31 16 o 28.9715 5.54982 9.82244      2.77023  4.27259      2.76361  24.1622     3.7537      9.53217     3.7537      
1 1 1 5  31 17 o 28.6851 5.66785 7.45693      2.54947  6.24101      2.69906  22.7495     359.15      6.76256     359.15      
1 1 1 5  31 18 o 16.3469 5.15308 0.465374     2.5699   1.93781      2.70899  6.26113     163.749     5.29707     343.749     
1 1 1 5  31 19 o 24.0002 6.07694 4.27352      2.74036  6.7667       3.02345  9.92797     233.043     13.061      53.0434     
1 1 1 5  31 20 o 18.8062 5.30008 4.39985      2.46808  0.83238      2.48222  7.97647     285.12      7.5772      105.12      
1 1 1 5  31 21 o 13.8617 4.53015 -0.0317987   2.3104   -0.0502644   2.23057  1.95483     300.277     9.77604     120.277     
1 1 1 5  31 22 o 24.3063 5.7939  6.04876      2.62207  4.79494      2.54447  15.9288     153.309     6.22624     153.309     
1 1 1 5  31 23 o 21.291  5.66552 4.05372      2.61049  4.17539      2.44887  9.34649     69.6164     1.34977     69.6163     
1 1 1 5  31 24 o 21.3211 5.42435 1.16176      2.84616  6.16501      2.49016  8.0596      185.32      0.361994    185.32      
1 1 1 5  31 25 o 27.6473 6.06822 7.52905      3.03742  7.03008      2.6811   18.6819     188.419     3.74515     188.419     
1 1 1 5  31 26 o 17.1455 5.41302 1.80683      3.21247  2.62259      2.70306  3.95943     274.52      1.26908     94.5201     
1 1 1 5  31 27 o 14.5378 4.79605 0.317513     2.95766  0.819149     2.3708   2.86377     332.533     7.30277     152.533     
1 1 1 5  31 28 f 15.2003 4.97768 2.69556      3.0166   -0.297154    2.46041  6.27987     37.6701     0           0           
1 1 1 5  31 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  32 0  o 15.8942 6.21817 2.66355      2.22605  2.66355      2.22605  8.06637     270         0.544363    90.0001     
1 1 1 5  32 1  o 18.8556 5.32727 3.13877      2.35426  2.11144      2.35328  10.4609     161.088     2.57475     161.088     
1 1 1 5  32 2  o 16.1029 4.8467  0.104683     2.22059  2.25246      2.14005  5.35869     73.5878     0.652081    73.5878     
1 1 1 5  32 3  o 15.6676 4.83329 1.19368      2.19471  0.90831      2.20252  5.71878     140.72      0.660888    320.72      
1 1 1 5  32 4  f 17.1469 5.91318 0.737891     2.20658  -4.43597     10.8314  16.3029     132.258     0           0           
1 1 1 5  32 5  o 21.7284 5.52725 -1.49308     2.98859  7.66546      3.0077   13.1393     274.076     1.06973     94.0759     
1 1 1 5  32 6  o 14.4434 4.80934 -0.606758    2.78838  -0.613286    2.73147  2.91665     157.652     9.84816     337.652     
1 1 1 5  32 7  o 12.9417 4.32566 -2.06597     2.28961  -0.184382    2.2941   2.26819     247.484     3.7406      67.484      
1 1 1 5  32 8  o 18.4647 5.35958 3.44253      2.4888   1.4158       2.50761  9.59283     146.278     0.728804    146.278     
1 1 1 5  32 9  o 26.9402 5.8366  7.56591      2.74715  5.0643       2.6615   15.1097     235.567     6.82925     55.5672     
1 1 1 5  32 10 o 37.0677 5.31971 11.5015      2.99496  9.7955       2.87242  27.5384     61.7788     2.22209     61.7788     
1 1 1 5  32 11 o 13.4362 4.43191 0.595935     2.29213  -1.99882     2.30647  1.7192      234.693     10.6007     54.693      
1 1 1 5  32 12 o 16.4969 5.05456 2.29931      2.38563  0.698432     2.42331  6.47765     186.317     0.243202    6.31705     
1 1 1 5  32 13 o 15.6407 4.88497 2.15605      2.35888  -0.295194    2.39629  3.92975     123.54      0.0296272   123.539     
1 1 1 5  32 14 f 13.9733 4.56563 0.150388     2.29836  -0.214185    2.31358  10.8346     189.506     0           0           
1 1 1 5  32 15 o 16.0733 5.04639 2.02401      2.51791  0.414067     2.52828  5.26864     148.593     5.38589     328.593     
1 1 1 5  32 16 o 19.292  5.52435 2.88435      2.63861  3.46514      2.48808  8.66616     170.223     0.123145    170.223     
1 1 1 5  32 17 o 18.7865 5.54065 2.81942      2.72239  3.06819      2.61465  6.97712     347.539     2.15911     167.539     
1 1 1 5  32 18 o 19.4653 5.61141 3.84378      2.49495  2.58093      2.96968  2.09291     348.423     0.171707    348.423     
1 1 1 5  32 19 o 16.4365 5.11543 1.5572       2.49228  1.6534       2.52826  2.0897      182.815     4.52257     2.81525     
1 1 1 5  32 20 o 23.272  6.04222 7.36922      3.19843  3.6435       2.54726  9.90643     228.741     3.36779     228.741     
1 1 1 5  32 21 o 16.6327 5.07627 3.38233      2.53019  0.0707686    2.40344  3.69086     83.8196     3.31239     263.82      
1 1 1 5  32 22 o 16.0079 5.01409 -0.458262    2.94663  2.87029      2.36983  3.45023     75.5982     8.91804     255.598     
1 1 1 5  32 23 o 16.3021 5.2013  2.15582      3.17143  1.88105      2.40981  3.25893     195.78      0.222331    15.7802     
1 1 1 5  32 24 o 15.1159 5.05479 0.837389     3.94334  0.859645     2.41321  5.02843     66.6154     3.63831     246.615     
1 1 1 5  32 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  32 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  33 0  o 14.0199 5.95855 2.02649      2.32006  2.02649      2.32006  3.83837     89.9999     5.59876     270         
1 1 1 5  33 1  o 13.058  4.36439 -0.873262    2.3028   -0.737397    2.32158  1.80913     163.639     4.26214     343.639     
1 1 1 5  33 2  o 13.3001 4.39453 0.230584     2.28679  -1.17879     2.18532  2.03324     117.9       5.201       297.9       
1 1 1 5  33 3  o 14.5232 4.69461 0.376022     2.17981  0.34019      2.51775  0.124903    104.069     16.9416     104.069     
1 1 1 5  33 4  o 16.1273 5.35988 1.52656      3.05085  -1.62707     4.10343  4.76538     321.958     5.28027     141.958     
1 1 1 5  33 5  o 18.5749 5.79831 3.60018      3.16332  1.72004      3.45901  7.0156      116.937     0.268055    116.938     
1 1 1 5  33 6  o 17.2296 5.27548 2.93603      2.59713  0.892774     2.66761  5.78793     314.46      4.56308     134.46      
1 1 1 5  33 7  o 21.1554 6.02303 6.1041       3.30421  2.74476      2.78635  9.62124     325.123     5.15696     145.123     
1 1 1 5  33 8  o 28.4535 6.07506 8.43076      2.94577  6.61352      2.87146  20.0586     38.2899     12.1497     38.2899     
1 1 1 5  33 9  o 13.7176 4.55742 -0.654902    2.51278  -0.254454    2.40153  0.354352    107.615     12.0362     107.615     
1 1 1 5  33 10 o 19.1483 5.55108 3.54247      2.62278  2.69027      2.62295  5.40118     359.621     9.80033     179.621     
1 1 1 5  33 11 o 15.9537 4.99007 2.55553      2.50556  -0.423865    2.50129  1.25973     155.201     11.6787     335.201     
1 1 1 5  33 12 o 14.9888 4.94197 -0.141136    2.45201  0.784527     3.09258  0.644125    178.276     4.91829     358.276     
1 1 1 5  33 13 o 14.8042 4.80057 0.502096     2.4957   0.513942     2.46591  0.8262      235.412     6.56681     55.4122     
1 1 1 5  33 14 o 17.7203 5.36636 1.51313      2.57764  3.32962      2.69563  4.52161     227.835     4.56101     47.8345     
1 1 1 5  33 15 o 32.8424 6.03542 10.6245      3.08374  9.2155       3.09919  25.3513     292.489     8.40492     292.489     
1 1 1 5  33 16 o 17.1777 4.95758 -4.03157     2.75201  5.35874      2.57768  5.07015     109.707     2.23598     289.707     
1 1 1 5  33 17 o 16.0972 5.13914 2.15066      2.49792  1.30713      3.00979  3.59254     158.643     1.45187     338.643     
1 1 1 5  33 18 o 15.8052 5.1465  1.38109      3.23167  1.71616      2.61423  2.72251     208.049     0.321334    28.0493     
1 1 1 5  33 19 o 13.528  4.57143 -1.67058     3.16965  0.339481     2.37317  2.73605     314.524     7.3119      134.524     
1 1 1 5  33 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  33 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  34 0  o 19.1144 7.0438  4.35729      2.70376  4.35729      2.70376  6.18211     90.0001     0.390569    90.0001     
1 1 1 5  34 1  o 13.9798 4.66727 -1.67328     2.31833  1.2482       2.86442  0.355969    295.06      1.41718     115.06      
1 1 1 5  34 2  o 19.1818 5.59238 3.27332      2.52008  3.6294       2.82738  6.94573     3.03897     2.44582     183.039     
1 1 1 5  34 3  o 21.2221 5.77617 5.80403      2.53034  2.52387      3.77042  7.11868     83.744      2.14071     83.744      
1 1 1 5  34 4  o 18.0268 5.62852 2.01493      2.77323  3.90075      3.32792  4.7797      128.945     1.37071     308.945     
1 1 1 5  34 5  o 16.1395 5.1679  1.33751      2.73968  1.88425      2.78607  3.34999     274.864     3.57896     94.8638     
1 1 1 5  34 6  o 15.5072 5.05292 -0.44503     2.65689  2.55699      2.96199  2.66766     213.4       3.07474     33.4004     
1 1 1 5  34 7  o 17.4543 5.33944 4.74261      2.82656  -0.468191    2.94101  5.75057     48.4509     3.47324     228.451     
1 1 1 5  34 8  o 11.1734 3.90508 -3.24395     2.45425  -2.52539     2.46974  1.22969     298.39      9.59141     298.39      
1 1 1 5  34 9  o 17.2374 5.30235 1.38669      2.66751  3.73738      2.69682  6.11389     221.988     1.6809      41.9883     
1 1 1 5  34 10 o 16.6347 5.29855 2.98339      2.7582   1.30252      3.0846   4.24362     355.753     10.0444     175.753     
1 1 1 5  34 11 o 17.2313 5.12471 -1.5068      2.65288  5.23656      2.67164  7.37313     150.426     0.615262    330.426     
1 1 1 5  34 12 o 16.4906 5.1796  1.08411      2.66978  3.13423      2.6732   5.13324     237.801     8.78639     57.8006     
1 1 1 5  34 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  34 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  34 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  35 0  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  35 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  35 2  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 5  35 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  0  0  o 478.114 2.65881 1245.06      19.5726  1245.06      19.5726  507.425     180         104.131     180         
1 1 1 6  0  1  o 211.737 1.84887 244.251      6.02619  244.251      6.02619  298.861     90          199.644     90          
1 1 1 6  0  2  o 20.2496 3.65605 2.62597      0.98545  2.62597      0.98545  18.264      6.50116e-06 38.4036     6.50116e-06 
1 1 1 6  0  3  o 233.583 1.97627 297.253      7.10618  297.253      7.10618  80.1824     90          284.449     270         
1 1 1 6  0  4  o 106.716 2.17394 62.1753      3.56575  62.1753      3.56575  42.2216     360         110.296     180         
1 1 1 6  0  5  o 461.201 2.00921 1158.47      14.2682  1158.47      14.2682  448.275     270         18.7        270         
1 1 1 6  0  6  o 592.47  1.91741 1911.62      17.4925  1911.62      17.4925  514.752     180         97.8373     8.64347e-06 
1 1 1 6  0  7  o 25.2293 3.07649 3.761        1.08871  3.761        1.08871  64.7745     89.9999     139.896     89.9999     
1 1 1 6  0  8  o 309.986 1.86293 523.357      8.89115  523.357      8.89115  307.724     180         26.1003     180         
1 1 1 6  0  9  o 89.1053 1.9504  43.3579      2.67038  43.3579      2.67038  0.333855    90.0008     0.125701    270.001     
1 1 1 6  0  10 o 113.973 2.06062 70.8712      3.61118  70.8712      3.61118  66.0953     180         26.0411     180         
1 1 1 6  0  11 o 55.4643 2.17687 16.9052      1.84605  16.9052      1.84605  40.6206     270         144.841     270         
1 1 1 6  0  12 f 82.9426 1.99395 37.5884      2.54004  37.5884      2.54004  101.366     180         0           0           
1 1 1 6  0  13 o 77.9744 2.17989 33.2612      2.60812  33.2612      2.60812  22.6204     270         181.504     270         
1 1 1 6  0  14 o 417.103 2.1673  947.464      13.9187  947.464      13.9187  478.52      180         167.138     180         
1 1 1 6  0  15 o 255.638 2.15775 355.994      8.49134  355.994      8.49134  153.827     90          176.053     270         
1 1 1 6  0  16 o 189.929 2.16882 196.578      6.33941  196.578      6.33941  145.553     180         67.9258     8.76457e-06 
1 1 1 6  0  17 o 206.544 1.91359 232.405      6.08389  232.405      6.08389  189.299     270         11.4414     90          
1 1 1 6  0  18 o 622.249 2.75477 2108.85      26.3937  2108.85      26.3937  724.497     360         275.054     360         
1 1 1 6  0  19 o 138.354 2.79947 104.503      5.95322  104.503      5.95322  83.4994     89.9999     48.974      89.9999     
1 1 1 6  0  20 o 361.442 1.89601 711.483      10.5515  711.483      10.5515  403.659     0           126.954     0           
1 1 1 6  0  21 o 9.01671 4.20357 -0.320364    1.49715  -0.320364    1.49715  53.4499     270         107.812     270         
1 1 1 6  0  22 o 420.863 2.42093 964.886      15.6873  964.886      15.6873  424.027     180         57.8062     180         
1 1 1 6  0  23 o 12.7251 4.97644 1.21204      1.42514  1.21204      1.42514  18.7117     270         38.4221     270         
1 1 1 6  0  24 o 158.688 1.94602 137.268      4.7521   137.268      4.7521   107.588     180         81.9776     8.78394e-06 
1 1 1 6  0  25 o 25.0478 4.19004 3.9417       1.40327  3.9417       1.40327  5.31206     90          12.7316     90          
1 1 1 6  0  26 o 21.5549 4.72459 3.16667      1.37319  3.16667      1.37319  72.7062     180         166.131     180         
1 1 1 6  0  27 o 169.722 1.93064 157.026      5.04285  157.026      5.04285  235.76      90          155.213     90          
1 1 1 6  0  28 o 81.3712 2.11647 36.2179      2.64384  36.2179      2.64384  80.6518     360         22.4491     360         
1 1 1 6  0  29 o 200.921 1.93239 220.037      5.97625  220.037      5.97625  166.592     90          40.1106     270         
1 1 1 6  0  30 o 179.308 1.93871 175.281      5.35026  175.281      5.35026  122.473     180         87.6128     8.64655e-06 
1 1 1 6  0  31 o 105.764 2.03879 61.0832      3.3149   61.0832      3.3149   114.674     270         33.8928     270         
1 1 1 6  0  32 o 12.1257 4.9142  1.02084      1.455    1.02084      1.455    4.08338     180         8.81392     180         
1 1 1 6  0  33 o 127.182 2.034   88.274       3.97892  88.274       3.97892  94.2831     90          45.9978     270         
1 1 1 6  0  34 o 337.055 1.92932 619.151      10.0122  619.151      10.0122  343.2       180         65.9969     180         
1 1 1 6  0  35 o 145.854 2.01614 116.072      4.52434  116.072      4.52434  174.962     90          82.0046     90          
1 1 1 6  0  36 o 63.5529 2.54789 22.2415      2.475    22.2415      2.475    52.2827     180         11.3166     8.65174e-06 
1 1 1 6  0  37 o 9.93631 4.54335 -0.0428722   1.6306   -0.0428722   1.6306   1.67067     90          3.68286     90          
1 1 1 6  0  38 o 160.529 2.27528 140.771      5.61932  140.771      5.61932  197.25      180         101.533     180         
1 1 1 6  0  39 o 73.5676 2.34878 29.7277      2.64846  29.7277      2.64846  64.9672     90          3.99826     270         
1 1 1 6  0  40 o 57.0612 3.86902 18.3657      3.32326  18.3657      3.32326  55.0668     180         6.97752     180         
1 1 1 6  0  41 o 38.4749 5.24557 9.03257      2.77468  9.03257      2.77468  34.8641     270         7.68307     270         
1 1 1 6  0  42 o 6.97346 3.45499 -1.43529     1.39685  -1.43529     1.39685  11.965      360         26.2107     360         
1 1 1 6  0  43 o 15.4462 5.82793 1.94751      1.88586  1.94751      1.88586  0.193945    270         2.08157     89.9998     
1 1 1 6  0  44 o 20.1501 6.14819 3.26489      1.96164  3.26489      1.96164  8.61782     360         10.8228     180         
1 1 1 6  0  45 o 22.7961 5.30733 3.70689      1.65363  3.70689      1.65363  9.58917     89.9999     3.25828     89.9999     
1 1 1 6  0  46 o 9.92048 4.46727 0.209032     1.50213  0.209032     1.50213  9.502       180         28.3506     180         
1 1 1 6  0  47 o 8.8621  4.16604 -0.363316    1.52099  -0.363316    1.52099  4.20893     90          12.7565     90          
1 1 1 6  0  48 o 17.5918 5.72052 2.58854      1.69786  2.58854      1.69786  11.4445     0           1.37014     0           
1 1 1 6  0  49 o 12.7267 5.15071 1.25769      1.59526  1.25769      1.59526  0.366828    270         0.810306    90.0004     
1 1 1 6  0  50 o 13.1342 5.287   1.3825       1.66803  1.3825       1.66803  3.02485     180         25.1343     180         
1 1 1 6  0  51 o 49.3235 2.9501  13.8446      2.20239  13.8446      2.20239  54.3107     270         21.6401     270         
1 1 1 6  0  52 o 13.3509 5.34168 1.48675      1.68875  1.48675      1.68875  0.130136    180         0.297307    360         
1 1 1 6  0  53 o 20.27   5.94337 3.44974      1.8458   3.44974      1.8458   16.0533     90          0.106205    270         
1 1 1 6  0  54 f 11.5483 5.12014 0.737692     1.88879  0.737692     1.88879  17.3726     0           0           0           
1 1 1 6  0  55 o 13.2903 5.55947 1.49024      1.95993  1.49024      1.95993  5.34754     270         3.77779     90          
1 1 1 6  0  56 o 39.2702 4.29222 9.70101      2.41117  9.70101      2.41117  48.77       180         29.3963     180         
1 1 1 6  0  57 o 12.5903 6.03985 -0.159536    3.51005  -0.159536    3.51005  5.17202     90          2.06627     270         
1 1 1 6  0  58 o 18.6405 6.43463 3.50956      2.17867  3.50956      2.17867  16.4906     0           2.47373     0           
1 1 1 6  0  59 o 10.5297 4.98919 -0.0349995   2.25752  -0.0349995   2.25752  1.08241     270         2.22157     90          
1 1 1 6  0  60 f 11.9693 5.37097 1.0607       2.14905  1.0607       2.14905  1.39014     180         0           0           
1 1 1 6  0  61 o 12.2879 5.46254 1.24086      2.16526  1.24086      2.16526  0.652159    90          3.03403     270         
1 1 1 6  0  62 o 22.7625 7.12484 5.44547      2.62965  5.44547      2.62965  20.7479     180         8.64612     180         
1 1 1 6  0  63 o 40.4211 4.1007  10.7694      2.40023  10.7694      2.40023  47.686      270         26.9224     270         
1 1 1 6  1  0  o 175.579 2.13447 168.039      5.76717  168.039      5.76717  176.812     180         20.1867     180         
1 1 1 6  1  1  o 313.273 1.9751  546.038      9.5264   523.253      9.52634  272.975     186.796     37.6385     6.79592     
1 1 1 6  1  2  o 209.81  1.84722 226.133      5.95113  253.803      5.97124  212.296     68.7485     50.7004     68.7485     
1 1 1 6  1  3  o 282.975 1.84613 434.428      8.04416  437.877      8.0448   184.931     251.053     157.024     71.0532     
1 1 1 6  1  4  o 78.1933 1.94118 36.9369      2.33261  29.9372      2.31684  4.75431     225.537     84.0899     45.5372     
1 1 1 6  1  5  o 89.5252 1.91984 39.5586      2.62546  48.0383      2.64465  23.5586     219.505     71.8411     39.5052     
1 1 1 6  1  6  o 222.124 1.85435 276.379      6.34645  261.183      6.33553  206.976     166.215     13.0597     166.215     
1 1 1 6  1  7  o 40.021  2.34965 10.744       1.41292  7.02708      1.4045   31.7128     42.9167     79.9615     42.9167     
1 1 1 6  1  8  o 66.2338 2.20368 27.5749      2.0676   20.5783      2.3305   17.3336     118.914     102.628     118.914     
1 1 1 6  1  9  o 339.705 2.01788 625.893      9.79965  631.087      11.2665  369.008     23.4295     108.725     23.4295     
1 1 1 6  1  10 o 36.9086 2.53382 7.41024      1.34788  7.56973      1.49341  20.6936     312.565     50.3668     312.565     
1 1 1 6  1  11 o 143.508 1.96487 113.892      4.18428  110.425      4.48907  105.636     103.779     30.2785     283.779     
1 1 1 6  1  12 o 76.4827 1.98456 30.5623      2.33285  33.2615      2.33055  33.6929     283.226     183.449     283.226     
1 1 1 6  1  13 o 148.747 1.9019  126.033      4.35539  115.063      4.35084  133.689     334.837     20.2419     334.837     
1 1 1 6  1  14 o 249.537 2.00263 331.511      7.69224  346.758      7.6955   137.29      277.643     186.918     97.6431     
1 1 1 6  1  15 o 78.2113 2.33121 36.8004      2.80251  30.1144      2.78065  38.2785     113.578     201.623     113.578     
1 1 1 6  1  16 o 336.476 2.27642 632.651      11.2273  600.74       12.3042  335.764     223.771     48.061      223.771     
1 1 1 6  1  17 o 308.078 2.11327 521.897      10.4064  511.911      9.63643  330.562     318.404     96.3701     318.404     
1 1 1 6  1  18 o 117.696 2.58775 67.9889      4.99927  83.4638      4.21802  1.87504     222.677     203.191     222.677     
1 1 1 6  1  19 o 249.215 2.53328 340.56       10.2081  336.08       9.21642  248.369     319.786     51.4498     319.786     
1 1 1 6  1  20 o 166.752 2.47546 159.281      6.37685  143.863      6.32623  104.834     145.997     75.2237     325.997     
1 1 1 6  1  21 o 151.922 2.08618 126.034      4.8752   125.401      4.88565  80.4676     128.317     100.109     308.317     
1 1 1 6  1  22 o 386.978 1.971   811.777      11.3324  819.661      12.1476  423.154     169.557     131.916     169.557     
1 1 1 6  1  23 o 254.095 2.0382  352.645      7.97417  350.822      7.97586  249.713     87.7044     36.0979     87.7044     
1 1 1 6  1  24 o 345.299 1.97425 647.853      10.8552  651.323      10.1251  364.025     104.451     89.6082     104.451     
1 1 1 6  1  25 o 173.175 1.9244  160.224      5.1255   166.608      5.13687  205.483     334.319     107.314     334.319     
1 1 1 6  1  26 o 208.871 1.91256 239.63       6.15557  235.835      6.1473   151.211     75.6235     80.3702     255.623     
1 1 1 6  1  27 f 74.2007 2.36484 29.5196      2.46501  30.646       2.91383  65.9545     162.374     0           0           
1 1 1 6  1  28 o 242.13  1.9099  327.524      7.12801  311.626      7.11136  214.432     172.293     15.4981     352.293     
1 1 1 6  1  29 o 99.8786 2.05725 53.0892      3.1556   55.7905      3.16457  56.663      16.0312     59.627      196.031     
1 1 1 6  1  30 o 198.357 1.93457 219.364      5.91477  209.674      5.90145  182.849     220.233     5.47627     220.233     
1 1 1 6  1  31 o 74.7245 2.22657 29.5477      2.56179  31.4874      2.54837  57.2649     144.9       33.8888     144.9       
1 1 1 6  1  32 o 115.135 2.04144 73.9718      3.61902  70.6732      3.61529  82.1466     217.276     40.9759     37.276      
1 1 1 6  1  33 o 130.347 2.02694 92.7524      4.07224  92.5641      4.06472  77.3322     176.349     80.2565     356.349     
1 1 1 6  1  34 o 91.5883 2.264   44.4145      3.28961  47.2696      3.07367  107.003     337.09      73.566      337.09      
1 1 1 6  1  35 o 167.537 1.98727 157.595      5.1331   148.717      5.11797  150.612     301.047     1.31054     121.046     
1 1 1 6  1  36 f 226.169 1.95813 281.262      6.8181   276.975      6.82098  152.847     86.6421     0           0           
1 1 1 6  1  37 o 53.8983 2.83418 15.156       2.33778  16.8485      2.32702  42.0879     64.2355     2.7562      244.235     
1 1 1 6  1  38 o 48.7724 3.11802 14.4981      2.34925  11.8884      2.27162  38.1407     90.0389     3.29833     90.0389     
1 1 1 6  1  39 o 77.2032 2.56904 31.3003      3.12173  34.2129      2.95453  76.4781     288.17      21.8008     288.17      
1 1 1 6  1  40 o 96.6124 2.63559 55.1016      4.14166  47.6848      3.68996  115.801     119.126     64.2899     119.126     
1 1 1 6  1  41 o 95.1556 2.51046 45.4858      3.64077  54.3633      3.68462  97.0146     152.204     26.2653     152.204     
1 1 1 6  1  42 o 63.6247 2.86987 23.7883      2.80362  21.1634      2.78388  55.8714     10.4484     1.31688     10.4484     
1 1 1 6  1  43 o 95.8767 2.32617 51.964       3.43027  49.4471      3.4267   89.0827     101.866     7.39129     101.866     
1 1 1 6  1  44 o 76.8049 2.4965  31.285       2.93701  34.1162      2.94856  61.4571     18.4426     13.0257     198.443     
1 1 1 6  1  45 f 12.7543 3.9618  0.263733     1.56976  -0.992666    1.47451  10.1986     23.9614     0           0           
1 1 1 6  1  46 o 32.9524 3.71173 5.69354      1.81389  6.94705      1.81311  30.5369     319.714     9.71155     319.714     
1 1 1 6  1  47 o 36.3346 3.53421 9.07263      1.90868  6.29657      1.88495  26.1368     191.414     8.95964     11.4142     
1 1 1 6  1  48 f 56.6411 2.80064 19.2414      2.31724  16.9968      2.51078  49.7991     6.05273     0           0           
1 1 1 6  1  49 o 17.7559 4.56784 2.07382      1.6311   1.22395      1.6366   5.32324     194.503     1.17599     194.503     
1 1 1 6  1  50 o 33.0725 3.93426 5.68912      1.92392  7.52868      1.91595  26.2027     21.5658     1.94938     201.566     
1 1 1 6  1  51 o 39.9599 3.4031  8.94717      2.03432  9.80534      2.06679  35.6861     142.29      4.5655      142.29      
1 1 1 6  1  52 o 25.7291 4.67641 3.53585      1.87088  5.02827      1.89049  22.3201     34.4566     9.91387     34.4566     
1 1 1 6  1  53 f 19.7018 4.85242 2.4119       1.8067   2.52133      1.8051   16.4839     330.945     0           0           
1 1 1 6  1  54 o 21.3013 4.98516 2.31987      1.94009  3.8153       1.94438  14.4554     76.3894     3.36831     256.389     
1 1 1 6  1  55 o 18.1932 4.88477 2.41658      1.89543  1.65072      1.9025   11.8812     109.851     3.45239     109.851     
1 1 1 6  1  56 o 12.7515 4.22964 -1.0636      2.06744  -1.15205     2.13088  1.36398     5.38869     12.1798     185.389     
1 1 1 6  1  57 o 25.5863 5.61308 5.89765      2.53535  4.56461      2.36701  21.796      163.307     3.35058     163.307     
1 1 1 6  1  58 o 15.2422 4.86536 0.0434433    2.53743  0.811858     2.34073  7.14701     91.2134     1.91486     91.2134     
1 1 1 6  1  59 o 14.9744 4.68667 0.848231     2.18089  0.682884     2.08925  4.79108     330.865     1.15296     330.865     
1 1 1 6  1  60 o 14.9554 4.70582 -0.245777    2.10479  1.7517       2.30523  6.76355     176.888     5.7235      356.888     
1 1 1 6  1  61 o 11.8943 3.95675 -2.5055      1.92395  0.264115     1.90555  0.147154    161.806     1.35365     341.806     
1 1 1 6  1  62 o 15.9212 4.68551 -1.11276     1.99837  3.61548      2.21271  5.76947     109.749     6.7935      289.749     
1 1 1 6  1  63 o 13.113  4.30438 -0.301969    1.97903  0.619681     2.17985  2.17571     120.234     0.116887    300.234     
1 1 1 6  2  0  o 234.353 1.84816 299.187      6.66773  299.187      6.66773  202.784     360         40.4235     180         
1 1 1 6  2  1  o 256.372 1.84567 348.614      7.27995  367.507      7.28937  137.099     321.295     201.675     141.295     
1 1 1 6  2  2  o 293.629 1.84993 470.761      8.36455  468.459      8.36455  371.947     259.602     210.751     259.602     
1 1 1 6  2  3  o 213.007 1.84776 254.251      6.06339  240.105      6.0547   217.186     148.773     54.8885     148.773     
1 1 1 6  2  4  o 288.947 2.00239 456.592      8.23696  452.97       9.52989  330.762     300.635     132.82      300.635     
1 1 1 6  2  5  o 529.598 2.16455 1537.9       15.4901  1517.81      19.5523  409.986     359.197     180.206     179.196     
1 1 1 6  2  6  o 151.131 2.01409 123.51       4.35329  125.31       5.00325  46.3914     116.688     175.264     296.688     
1 1 1 6  2  7  o 161.943 1.8661  149.91       4.65515  135.922      4.64415  120.717     111.4       38.9699     291.4       
1 1 1 6  2  8  o 105.454 1.89804 57.4113      3.07458  63.8437      3.08058  56.4261     232.115     26.8648     52.1151     
1 1 1 6  2  9  o 163.863 1.94079 143.572      5.05413  148.911      4.72769  136.426     2.3689      8.5328      182.369     
1 1 1 6  2  10 o 312.932 1.92411 530.561      9.56528  536.008      8.96561  300.028     317.68      20.6467     317.68      
1 1 1 6  2  11 o 349.01  1.94537 684.03       10.0831  642.925      10.786   395.014     83.589      143.705     83.589      
1 1 1 6  2  12 o 162.585 2.0314  144.503      4.72982  143.397      5.41602  106.987     243.46      84.5672     243.46      
1 1 1 6  2  13 o 338.629 2.02569 642.499      9.79595  606.657      11.2332  359.522     169.376     91.3798     169.376     
1 1 1 6  2  14 o 388.417 2.01481 815.184      12.0471  827.993      12.0544  350.368     9.03859     24.8887     189.039     
1 1 1 6  2  15 o 528.403 2.41297 1493.05      19.6189  1548.54      19.6446  489.188     322.847     13.9065     142.847     
1 1 1 6  2  16 o 345.973 2.17799 655.488      11.6044  648.274      11.6023  323.911     120.139     6.00353     120.139     
1 1 1 6  2  17 o 274.121 2.19669 401.103      9.26986  417.458      9.27257  245.869     312.906     9.51272     132.906     
1 1 1 6  2  18 o 256.254 2.02454 344.399      7.97135  371.088      7.99909  254.628     2.89319     47.9235     2.89319     
1 1 1 6  2  19 o 235.437 2.41137 298.289      8.73521  305.595      8.74863  191.345     212.865     39.5143     32.865      
1 1 1 6  2  20 o 97.6768 2.66382 53.9325      4.00077  50.2132      3.99391  32.0006     14.5105     43.9832     194.511     
1 1 1 6  2  21 o 207.279 2.1304  242.849      7.07114  225.387      6.53108  119.884     85.7875     133.259     265.788     
1 1 1 6  2  22 o 291.02  2.03874 468.659      9.75561  454.105      8.4915   288.588     106.258     45.023      106.258     
1 1 1 6  2  23 o 51.9207 2.757   12.9768      2.21819  16.6958      2.11378  8.18237     163.844     56.6344     163.844     
1 1 1 6  2  24 o 205.99  2.0574  233.738      6.53258  228.662      6.51917  165.339     280.504     44.4273     100.504     
1 1 1 6  2  25 o 72.4504 2.2549  32.4261      2.6235   25.1345      2.38909  40.3744     152.758     6.28797     332.758     
1 1 1 6  2  26 o 237.08  1.90991 303.865      6.97044  308.707      6.97455  234.759     325.165     35.2357     325.165     
1 1 1 6  2  27 o 149.462 1.95673 128.056      4.51816  115.596      4.4818   153.591     139.994     41.6774     139.994     
1 1 1 6  2  28 o 165.983 1.93889 150.346      4.95531  149.977      4.95611  133.587     318.643     32.8827     138.643     
1 1 1 6  2  29 f 40.7168 2.82119 8.72974      1.74908  9.55077      1.73957  29.5922     273.64      0           0           
1 1 1 6  2  30 o 184.695 1.94025 186.158      5.52     185.775      5.51652  182.731     148.489     31.9208     148.489     
1 1 1 6  2  31 o 119.058 2.01338 76.4245      3.6834   78.1597      3.69887  125.856     29.137      45.3966     29.137      
1 1 1 6  2  32 o 168.196 1.96583 156.616      5.09415  151.919      5.0882   150.939     219.993     2.97557     39.9935     
1 1 1 6  2  33 o 45.3477 2.81905 10.5416      1.93751  12.1238      1.95242  18.897      20.1111     17.1791     200.111     
1 1 1 6  2  34 f 86.599  2.21029 39.3136      2.94408  42.6689      2.93713  65.9519     220.482     0           0           
1 1 1 6  2  35 o 292.697 1.93747 468.104      8.73239  466.564      8.73282  292.796     33.2942     51.5485     33.2942     
1 1 1 6  2  36 o 31.506  4.03108 5.91861      1.89307  5.3295       1.8731   0.101539    35.476      38.9949     35.4757     
1 1 1 6  2  37 o 99.0869 2.28258 51.9487      3.4669   55.4999      3.48719  113.533     85.2415     54.3673     85.2415     
1 1 1 6  2  38 o 81.3699 2.39027 34.7641      2.97871  37.8436      2.99478  60.0825     293.053     22.1012     113.053     
1 1 1 6  2  39 o 54.3687 3.32132 17.4633      2.75749  15.3636      2.74061  49.678      21.0335     17.4468     21.0335     
1 1 1 6  2  40 o 34.2252 3.85999 8.40755      1.93947  5.08329      1.91656  15.0658     338.797     17.1789     158.797     
1 1 1 6  2  41 o 117.64  2.4077  74.6544      4.34497  77.5117      4.36833  132.953     105.488     57.0789     105.488     
1 1 1 6  2  42 o 66.5793 3.16146 22.1319      3.21192  27.3823      3.20114  58.1663     316.174     0.221476    316.174     
1 1 1 6  2  43 o 76.0418 2.45383 34.3879      2.86722  29.6361      2.85282  65.4884     236.94      3.5659      56.9398     
1 1 1 6  2  44 o 74.8254 2.42523 32.016       2.67386  30.0041      2.88602  78.4358     305.204     25.4489     305.204     
1 1 1 6  2  45 o 106.292 2.31897 57.2033      3.77674  68.1115      3.78341  116.056     339.015     43.6788     339.015     
1 1 1 6  2  46 o 57.0319 2.67102 17.8947      2.3839   18.4987      2.27723  46.8676     146.357     5.51553     326.358     
1 1 1 6  2  47 o 97.7731 2.18793 50.3423      3.27448  55.7145      3.30018  96.6994     43.2596     20.6005     43.2596     
1 1 1 6  2  48 o 26.2683 4.37547 4.13796      1.73116  4.25541      1.75004  17.9973     22.9343     6.85645     202.934     
1 1 1 6  2  49 o 37.5598 3.52747 6.48095      1.93075  10.2192      1.95262  42.6758     269.707     24.4553     269.707     
1 1 1 6  2  50 o 12.9068 4.0456  -0.49168     1.58868  -0.0507575   1.61116  2.32599     89.5913     19.4524     89.5913     
1 1 1 6  2  51 o 22.1385 4.51324 1.34213      1.76956  4.63974      1.77811  12.7        164.166     6.85405     344.166     
1 1 1 6  2  52 o 57.6866 2.77701 18.8272      2.43756  19.4445      2.4666   56.1359     18.6486     13.2781     18.6486     
1 1 1 6  2  53 o 16.4731 4.59339 2.36998      1.86014  -0.114594    1.77563  2.89526     215.588     17.8602     35.5884     
1 1 1 6  2  54 o 37.5436 3.95064 9.17099      2.21017  8.5774       2.21587  33.3322     57.8505     3.59583     57.8506     
1 1 1 6  2  55 o 18.5393 4.86234 3.75872      2.03399  -0.483425    2.24381  12.3796     217.755     0.145557    217.756     
1 1 1 6  2  56 f 14.6702 4.66103 -0.923227    2.23085  0.897694     2.23265  12.216      138.151     0           0           
1 1 1 6  2  57 o 17.6021 5.01323 2.62382      2.29024  1.35529      1.88499  11.9783     219.22      0.817227    39.22       
1 1 1 6  2  58 o 16.5905 5.14432 1.61759      2.50916  0.939812     2.53862  9.77955     206.894     2.91323     26.8936     
1 1 1 6  2  59 o 14.8983 4.66635 1.10191      2.00955  0.255396     2.27941  6.51759     59.128      6.41959     239.128     
1 1 1 6  2  60 o 16.0592 4.83439 0.939407     1.98475  2.13118      2.21772  8.43069     263.309     3.76271     83.3088     
1 1 1 6  2  61 o 11.7616 3.95419 0.280598     2.02295  -3.65125     2.02968  0.0398199   14.5288     5.37489     194.529     
1 1 1 6  2  62 o 15.5257 4.76908 1.83885      2.19692  1.11414      2.04445  5.06553     210.729     1.72932     30.729      
1 1 1 6  2  63 o 17.593  5.1128  1.98215      2.50008  3.40449      2.12392  10.3245     102.414     3.98613     282.414     
1 1 1 6  3  0  o 93.8014 1.90929 48.033       2.75268  48.033       2.75268  98.0121     180         373.494     180         
1 1 1 6  3  1  o 224.14  2.00289 281.675      6.38996  265.745      7.36842  98.1064     138.192     216.728     318.192     
1 1 1 6  3  2  o 296.955 1.99382 470.374      8.44986  490.386      9.76186  240.344     192.249     70.4708     12.2494     
1 1 1 6  3  3  o 181.885 1.85716 188.801      5.20402  171.766      5.19102  90.4343     209.568     147.106     29.5676     
1 1 1 6  3  4  o 192.194 1.85245 195.321      5.47599  207.135      5.48573  133.425     64.2343     78.3577     244.234     
1 1 1 6  3  5  o 211.674 1.85607 251.659      6.05108  236.513      6.04466  207.37      354.535     37.8739     354.535     
1 1 1 6  3  6  o 160.657 1.93007 136.107      4.91831  145.11       4.61309  151.193     143.524     103.535     143.524     
1 1 1 6  3  7  o 200.816 1.85249 212.743      5.71811  226.608      5.73522  102.459     43.3256     160.046     223.326     
1 1 1 6  3  8  o 198.375 2.0222  223.581      5.69075  205.249      6.58476  150.684     92.1052     54.5757     272.105     
1 1 1 6  3  9  o 113.35  2.06537 71.5499      3.31659  68.4626      3.85556  72.7958     153.56      16.9468     153.56      
1 1 1 6  3  10 o 243.683 1.86353 328.074      6.99636  318.686      6.98824  257.549     54.2578     74.9777     54.2578     
1 1 1 6  3  11 o 226.399 1.86872 277.704      6.51365  280.532      6.51608  197.292     357.975     16.2594     177.975     
1 1 1 6  3  12 o 165.155 1.88383 145.206      4.78517  151.896      4.79517  137.918     263.155     11.2347     83.1549     
1 1 1 6  3  13 o 154.36  1.89598 127.044      4.49961  132.483      4.51254  149.774     266.871     43.0936     266.871     
1 1 1 6  3  14 o 233.098 2.17011 292.09       7.79246  299.738      7.78552  262.842     229.97      107.523     229.97      
1 1 1 6  3  15 o 170.897 2.52406 161.372      6.98156  156.788      6.2943   157.737     212.804     19.318      212.804     
1 1 1 6  3  16 o 331.311 2.19895 608.146      10.2749  587.549      12.0581  207.641     357.454     200.261     177.454     
1 1 1 6  3  17 o 264.482 2.27646 388.395      8.87412  373.634      9.63564  145.325     8.57825     195.364     188.578     
1 1 1 6  3  18 o 221.734 2.21198 261.029      7.55     274.619      7.55184  242.857     191.592     102.035     191.592     
1 1 1 6  3  19 o 324.027 2.1926  579.176      10.9497  564.602      10.9299  336.564     333.196     83.4488     333.196     
1 1 1 6  3  20 o 76.4924 2.30735 35.6385      2.70738  28.4277      2.69092  48.5991     161.797     208.208     161.797     
1 1 1 6  3  21 o 234.178 2.04098 302.053      7.35594  295.398      7.36316  197.398     9.51111     27.5485     189.511     
1 1 1 6  3  22 o 83.0647 2.29055 37.8513      2.9281   37.449       2.92036  32.8        352.409     37.2124     172.409     
1 1 1 6  3  23 o 193.909 1.92843 195.81       5.74822  214.071      5.76029  196.515     232.285     45.8803     232.285     
1 1 1 6  3  24 o 247.186 1.9727  328.937      7.23551  336.902      7.77812  297.033     189.667     145.76      189.667     
1 1 1 6  3  25 o 159.394 2.15767 143.024      5.50613  133.984      5.08702  145.123     334.728     5.71343     334.728     
1 1 1 6  3  26 o 152.23  2.19933 130.305      5.73345  122.399      4.542    160.688     55.7577     51.7109     55.7577     
1 1 1 6  3  27 o 40.2496 2.87625 8.09565      1.79314  9.80632      1.6959   7.58077     51.0515     54.8305     51.0515     
1 1 1 6  3  28 o 124.865 1.98108 80.4971      3.8034   89.5969      3.80693  109.345     186.334     0.0610262   186.334     
1 1 1 6  3  29 o 101.759 2.03812 60.6067      3.20467  52.5359      3.16654  107.15      100.081     57.2899     100.081     
1 1 1 6  3  30 o 128.494 1.99345 84.9344      3.92382  95.2488      3.95704  141.037     135.615     60.0672     135.615     
1 1 1 6  3  31 o 116.197 2.03599 72.9839      3.64686  74.3137      3.63588  80.3946     293.165     45.6117     113.165     
1 1 1 6  3  32 o 52.6813 2.57021 14.3321      2.06136  16.1388      2.07822  2.26001     262.351     81.7963     82.3513     
1 1 1 6  3  33 f 199.35  1.95066 221.305      5.99836  212.165      5.97622  147.664     229.991     0           0           
1 1 1 6  3  34 o 196.715 1.95935 220.263      5.94174  202.058      5.92135  157.785     11.0912     41.5613     191.091     
1 1 1 6  3  35 o 163.732 1.99991 143.231      5.0353   149.326      5.04806  169.917     103.78      45.4862     103.78      
1 1 1 6  3  36 o 125.664 2.19439 86.7063      4.23622  85.7623      4.25622  93.0255     33.612      39.5722     213.612     
1 1 1 6  3  37 o 141.749 2.03774 111.885      4.45286  107.6        4.44197  138.919     346.454     23.3182     346.454     
1 1 1 6  3  38 o 116.059 2.2408  72.4513      4.00251  75.0002      3.99839  100.984     73.9977     4.70494     253.998     
1 1 1 6  3  39 o 20.821  4.80932 1.86728      1.80663  2.77258      1.77442  10.2087     102.49      39.1195     102.49      
1 1 1 6  3  40 o 96.5406 2.31632 48.9051      3.43609  53.4524      3.43563  77.95       126.726     14.9812     306.726     
1 1 1 6  3  41 o 101.387 2.39944 52.7615      3.8483   60.4446      3.59792  74.3123     213.352     31.9239     33.352      
1 1 1 6  3  42 o 23.8363 4.59686 2.6696       1.74431  3.97563      1.76132  8.61071     59.199      2.10613     239.199     
1 1 1 6  3  43 o 17.3761 4.55817 1.20993      1.62794  1.56723      1.62348  0.351435    87.0315     19.8101     267.032     
1 1 1 6  3  44 f 16.8798 4.4817  1.1246       1.55239  1.43783      1.60669  12.5188     260.161     0           0           
1 1 1 6  3  45 o 34.4261 3.85683 8.59594      1.83212  5.33501      1.99967  29.0584     194.896     2.70097     194.896     
1 1 1 6  3  46 o 52.8788 2.98619 16.3323      2.39007  15.206       2.42816  44.4154     105.217     2.58774     285.217     
1 1 1 6  3  47 o 42.2106 3.11206 9.56102      1.97924  10.7446      2.00194  47.0318     149.423     23.8389     149.423     
1 1 1 6  3  48 f 74.1851 2.37732 30.8798      2.71617  30.6056      2.70128  65.7349     95.7879     0           0           
1 1 1 6  3  49 o 17.0218 4.2048  -0.901251    1.60242  3.03239      1.63244  6.73169     224.639     8.23763     44.6394     
1 1 1 6  3  50 o 50.3435 2.90505 14.0978      2.22212  14.9559      2.24178  50.5212     156.455     15.2587     156.455     
1 1 1 6  3  51 o 18.1752 4.5573  2.86645      1.7111   0.606066     1.68677  8.68271     36.6176     45.9864     36.6176     
1 1 1 6  3  52 o 41.9536 3.35655 10.703       2.12198  10.1545      2.1366   46.0402     151.582     22.9216     151.582     
1 1 1 6  3  53 o 15.7043 4.4868  2.08364      1.80818  -0.470854    1.76633  3.83587     221.251     0.0891462   41.2513     
1 1 1 6  3  54 o 24.005  4.91602 3.33477      1.93637  4.64831      1.94954  19.9949     234.861     2.8393      234.861     
1 1 1 6  3  55 o 24.7148 5.61404 4.6816       2.36542  4.47187      2.48672  18.7627     180.527     0.617286    0.526925    
1 1 1 6  3  56 o 12.3311 4.03162 -1.39223     1.81752  -0.149778    1.81666  1.99879     17.0065     2.28953     197.007     
1 1 1 6  3  57 o 44.9287 4.08788 13.498       2.68103  13.2049      2.83557  46.539      202.264     17.3986     202.264     
1 1 1 6  3  58 o 19.8467 5.46705 1.88116      2.1723   4.39075      2.68448  15.3744     2.82143     7.61142     2.82143     
1 1 1 6  3  59 o 23.0544 5.38512 5.36798      2.19772  3.41194      2.44271  19.1314     323.029     3.89974     323.029     
1 1 1 6  3  60 o 17.2822 4.91698 1.57003      2.03975  2.68929      2.02004  10.2463     134.367     1.06148     314.367     
1 1 1 6  3  61 o 14.4086 4.61161 0.586391     2.26491  0.439787     2.1259   1.06138     273.361     1.42369     93.3611     
1 1 1 6  3  62 o 21.5221 5.43056 4.84872      2.35317  3.85142      2.20029  15.3342     107.405     1.98426     107.405     
1 1 1 6  3  63 o 12.7297 4.20911 -0.561271    2.09697  0.24441      2.02359  4.88943     192.529     1.65667     12.5291     
1 1 1 6  4  0  o 164.216 1.99186 146.978      5.03357  146.978      5.03357  195.474     180         91.1461     180         
1 1 1 6  4  1  o 213.419 1.8499  255.872      6.0837   240.384      6.07132  184.648     122.124     14.4104     302.124     
1 1 1 6  4  2  o 500.955 2.04244 1349.75      16.8307  1384.11      14.5689  517.893     290.864     94.9546     290.864     
1 1 1 6  4  3  o 164.657 2.01261 147.558      5.4623   147.773      4.71587  148.286     166.504     18.2282     166.504     
1 1 1 6  4  4  o 454.034 1.87627 1150.18      13.1261  1095.56      13.1049  353.175     126.977     146.587     306.977     
1 1 1 6  4  5  o 175.821 1.85928 173.166      5.03908  163.606      5.02607  194.606     109.519     125.878     109.519     
1 1 1 6  4  6  o 635.349 1.93004 2210.21      18.8871  2186.55      18.8783  642.912     123.3       88.683      123.3       
1 1 1 6  4  7  o 273.885 1.85745 418.287      7.83972  398.826      7.82499  233.88      179.074     36.1721     359.074     
1 1 1 6  4  8  o 131.091 1.94835 92.971       4.06505  94.1976      3.79449  107.666     193.78      16.8276     193.78      
1 1 1 6  4  9  o 359.885 1.86807 696.256      10.3493  714.38       10.3546  352.192     116.008     35.2281     116.008     
1 1 1 6  4  10 o 223.096 1.87242 267.736      6.42792  274.347      6.43664  219.975     148.311     39.0352     148.311     
1 1 1 6  4  11 o 86.8248 1.98272 40.7103      2.63984  41.4805      2.65498  17.3934     204.317     89.0503     24.3167     
1 1 1 6  4  12 o 209.948 2.10661 247.116      6.5324   233.065      7.05884  271.834     141.746     208.286     141.746     
1 1 1 6  4  13 o 468.453 2.30668 1219.94      15.8442  1170.59      17.3635  422.304     182.748     32.5357     2.74804     
1 1 1 6  4  14 o 586.671 2.22986 1882.55      20.1502  1866.36      20.1392  584.667     200.543     69.0246     200.543     
1 1 1 6  4  15 o 220.069 2.01671 266.086      6.8308   261.41       6.83725  247.028     315.547     107.06      315.547     
1 1 1 6  4  16 o 121.055 2.24545 87.2563      3.99034  72.7625      4.31396  84.1557     262.255     26.1553     262.255     
1 1 1 6  4  17 f 257.443 2.3817  371.17       9.44878  350.954      9.4299   219.85      283.604     0           0           
1 1 1 6  4  18 o 228.574 2.29955 279.935      7.74566  289.254      8.43711  141.348     294.32      128.895     114.32      
1 1 1 6  4  19 o 168.671 2.07036 154.741      5.3845   155.17       5.37032  167.182     127.64      94.7933     127.64      
1 1 1 6  4  20 o 190.408 2.12322 197.954      6.00194  197.023      6.44016  165.594     321.844     0.573149    141.844     
1 1 1 6  4  21 o 397.36  2.15573 847.547      11.6359  872.888      14.618   443.315     96.9298     153.967     96.9298     
1 1 1 6  4  22 o 247.264 2.25722 342.359      7.80267  324.017      9.27735  256.192     250.383     63.8146     250.383     
1 1 1 6  4  23 o 333.866 2.0345  605.525      10.4607  609.106      10.4587  337.989     163.568     60.0162     163.568     
1 1 1 6  4  24 o 231.159 1.97408 287.264      6.77355  295.068      7.27708  257.838     215.047     96.297      215.047     
1 1 1 6  4  25 o 77.4772 2.28656 32.8614      2.51841  32.6954      2.91006  16.6763     248.695     95.4885     68.6946     
1 1 1 6  4  26 o 101.755 2.18226 53.9065      3.40319  59.1413      3.42306  99.5755     144.826     32.3306     144.826     
1 1 1 6  4  27 o 199.295 1.99791 214.017      6.33771  218.977      5.91226  183.928     60.9282     5.66803     60.9281     
1 1 1 6  4  28 o 198.241 1.92641 220.58       5.88612  207.942      5.87197  174.031     270.54      11.8919     90.5398     
1 1 1 6  4  29 o 33.9336 3.27537 6.57352      1.73128  6.24363      1.6024   14.9793     248.279     57.4598     248.279     
1 1 1 6  4  30 o 73.2244 2.35313 31.1287      2.80579  27.5484      2.48946  51.2063     125.489     13.2066     305.489     
1 1 1 6  4  31 o 17.7916 4.32506 1.15099      1.48995  1.93712      1.4133   5.3057      287.531     12.6926     287.531     
1 1 1 6  4  32 o 55.3388 2.73738 15.5332      2.14681  18.1273      2.49259  37.7383     111.039     5.04268     111.039     
1 1 1 6  4  33 o 88.8511 2.32418 43.0545      3.21799  43.2278      3.13016  86.0074     93.2557     22.6904     93.2557     
1 1 1 6  4  34 o 147.483 2.07831 114.249      4.54795  123.188      4.89376  169.254     71.3325     77.036      71.3325     
1 1 1 6  4  35 o 32.2051 3.99057 4.67806      1.88936  7.15504      1.88711  14.1693     110.958     74.2464     110.958     
1 1 1 6  4  36 f 160.074 2.13587 138.09       5.26188  141.777      5.2672   91.5446     238.503     0           0           
1 1 1 6  4  37 f 36.1088 3.72415 7.51652      2.00538  7.12983      2.01277  49.7554     228.582     0           0           
1 1 1 6  4  38 o 59.1496 2.7537  17.5635      2.47874  21.0507      2.49445  32.2973     200.397     35.3412     20.3966     
1 1 1 6  4  39 o 130.077 2.47638 98.0974      5.21399  87.7253      4.70129  108.358     120.68      15.7076     300.68      
1 1 1 6  4  40 o 28.7399 4.41762 3.71658      1.90563  5.92447      1.91256  3.85331     157.812     32.5437     337.812     
1 1 1 6  4  41 o 55.5544 2.59107 14.9304      2.17911  19.3387      2.20213  49.1177     309.793     4.25289     309.793     
1 1 1 6  4  42 o 20.7626 4.5822  3.22995      1.67112  1.55712      1.68138  3.31381     146.597     37.1184     146.597     
1 1 1 6  4  43 o 35.8892 3.53994 8.0764       1.80513  6.65001      1.96092  30.4161     202.488     2.86434     202.488     
1 1 1 6  4  44 o 59.2562 2.72601 18.6366      2.46624  20.5503      2.47723  47.8184     354.688     7.70319     174.688     
1 1 1 6  4  45 o 55.1624 2.64118 16.5084      2.21983  17.5007      2.23976  57.1632     139.589     19.6823     139.589     
1 1 1 6  4  46 o 41.625  3.29072 9.7125       1.98378  10.0653      2.1609   43.4836     193.588     18.3928     193.588     
1 1 1 6  4  47 o 55.9464 2.8879  19.0595      2.45709  16.3271      2.47039  51.8407     91.4117     6.48381     91.4117     
1 1 1 6  4  48 o 30.21   4.22079 4.91952      1.95316  6.11984      1.82546  26.9909     61.9796     4.87386     61.9795     
1 1 1 6  4  49 o 13.7423 4.17103 -0.358035    1.58532  0.575379     1.61398  1.62481     70.7422     9.67647     250.742     
1 1 1 6  4  50 o 41.0181 3.31262 10.6423      2.05058  9.02634      2.04484  34.4412     337.478     0.182039    157.478     
1 1 1 6  4  51 o 12.1263 3.90512 -0.141294    1.64034  -1.4385      1.6102   1.03646     293.349     11.6022     293.349     
1 1 1 6  4  52 o 16.2025 4.62784 1.4438       1.79277  0.755485     1.79535  5.50249     116.699     7.89199     296.699     
1 1 1 6  4  53 o 16.0965 4.67512 1.47808      1.81281  0.596669     1.94586  6.03657     231.725     0.089955    231.725     
1 1 1 6  4  54 o 34.514  4.93348 9.14223      2.25881  7.08944      2.76712  31.6686     129.898     6.2051      129.898     
1 1 1 6  4  55 o 13.0099 4.21493 -0.156517    1.94105  -0.949775    1.88109  2.95788     165.265     7.5513      345.265     
1 1 1 6  4  56 o 29.9183 5.11374 6.39276      2.32054  6.58243      2.33894  27.5663     79.8816     7.40021     79.8816     
1 1 1 6  4  57 o 14.9994 4.56489 -0.315253    1.82016  1.83954      2.071    8.92435     101.699     1.13766     281.699     
1 1 1 6  4  58 o 16.3793 4.91824 1.92897      2.36417  1.12119      1.94493  6.21831     44.0382     11.4833     224.038     
1 1 1 6  4  59 o 26.7102 5.37964 6.47064      2.28915  5.23421      2.39987  21.2139     249.667     0.316168    249.667     
1 1 1 6  4  60 o 19.4403 5.26701 1.76455      2.13876  4.4839       2.40576  11.188      128.168     4.83675     128.168     
1 1 1 6  4  61 o 15.7064 4.7345  0.507953     2.02421  2.25489      2.08419  0.512222    92.9483     0.237063    272.948     
1 1 1 6  4  62 o 20.3445 5.17159 5.85288      2.31022  1.41278      2.39247  11.943      312.296     5.18037     132.296     
1 1 1 6  4  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  5  0  o 31.0156 2.71351 5.47462      1.24269  5.47462      1.24269  2.68242     180         6.0723      180         
1 1 1 6  5  1  o 84.038  2.0052  42.6876      2.68886  34.5413      2.48894  7.25625     35.4954     96.6172     215.495     
1 1 1 6  5  2  f 313.463 1.8561  532.115      8.95784  538.102      8.96066  382.526     191.332     0           0           
1 1 1 6  5  3  o 282.306 1.85401 438.232      8.0615   429.812      8.05748  268.269     29.1584     18.5836     29.1584     
1 1 1 6  5  4  o 348.534 1.86344 694.108      10.0044  629.729      9.98125  377.64      89.9648     110.765     89.9648     
1 1 1 6  5  5  o 335.844 1.8589  626.996      9.6163   601.582      9.6079   204.826     356.11      216.448     176.11      
1 1 1 6  5  6  o 320.398 1.92249 567.181      9.81185  550.924      9.15504  291.132     182.338     10.7945     2.33808     
1 1 1 6  5  7  o 348.884 2.0129  670.483      11.5872  655.263      9.99988  374.947     62.5414     104.456     62.5414     
1 1 1 6  5  8  o 221.979 1.93599 256.967      6.81743  279.935      6.38307  208.352     206.557     17.3268     206.557     
1 1 1 6  5  9  o 413.214 1.94725 951.975      11.9688  907.888      12.7746  355.799     80.1239     60.2725     260.124     
1 1 1 6  5  10 o 460.339 1.88949 1192.82      13.4051  1115.74      13.3728  388.069     130.791     85.5864     310.791     
1 1 1 6  5  11 o 535.24  2.12857 1568.72      16.8711  1551.55      18.1845  478.882     35.3764     45.7234     215.376     
1 1 1 6  5  12 o 472.999 2.11706 1233.12      14.8068  1203.74      15.9943  436.109     132.777     12.305      312.777     
1 1 1 6  5  13 f 323.775 2.27045 599.918      10.7643  542.641      11.7804  195.046     50.1959     0           0           
1 1 1 6  5  14 o 274.714 2.01637 406.596      8.52527  415.396      8.53378  301.886     278.878     106.147     278.878     
1 1 1 6  5  15 o 89.6054 2.33734 39.4837      3.19743  48.3193      3.21878  19.5598     16.938      79.9521     196.938     
1 1 1 6  5  16 o 100.214 2.75661 60.0724      3.95275  49.754       4.44771  17.7157     149.118     114.6       329.118     
1 1 1 6  5  17 o 338.615 2.52772 629.688      12.4106  619.504      13.8953  356.47      336.241     95.4625     336.241     
1 1 1 6  5  18 o 123.992 1.98819 83.2191      3.80347  84.2492      3.78859  2.03789     200.756     212.087     200.756     
1 1 1 6  5  19 o 169.627 2.05575 156.185      5.37143  157.266      5.36805  113.474     314.55      66.5634     134.55      
1 1 1 6  5  20 o 211.338 2.03628 234.047      6.61598  252.723      6.63094  216.117     45.4456     60.0733     45.4456     
1 1 1 6  5  21 o 289.754 2.02404 458.762      9.03389  455.982      9.02816  230.894     158.438     70.3111     338.438     
1 1 1 6  5  22 o 112.109 1.99566 68.2595      3.44348  68.7753      3.44147  103.665     110.779     34.8722     110.779     
1 1 1 6  5  23 o 167.472 2.00446 145.4        5.32667  160.423      4.97958  146.525     329.092     5.85144     149.092     
1 1 1 6  5  24 o 249.075 2.19511 343.259      8.41988  333.041      8.41737  225.026     182.11      6.17582     2.10976     
1 1 1 6  5  25 o 73.676  2.4385  26.3514      2.43827  33.1684      3.08856  31.7806     320.033     15.825      320.033     
1 1 1 6  5  26 o 219.067 2.07476 262.747      6.45529  260.433      7.49881  150.231     231.576     100.594     51.576      
1 1 1 6  5  27 o 169.955 2.08861 157.679      5.46594  157.257      5.46629  173.009     94.0937     41.925      94.0937     
1 1 1 6  5  28 o 510.172 2.00689 1446.16      16.3352  1391.97      15.1942  468.816     289.623     3.4861      109.623     
1 1 1 6  5  29 o 169.999 2.02071 161.336      5.10075  153.846      5.4618   160.189     6.49209     15.0786     6.49209     
1 1 1 6  5  30 f 66.2422 2.3083  23.2836      2.34165  24.7194      2.35169  90.3869     279.94      0           0           
1 1 1 6  5  31 o 110.762 2.05373 64.464       3.49107  69.4873      3.50542  104.791     98.0505     15.4397     98.0505     
1 1 1 6  5  32 o 130.494 2.02294 92.2309      4.06338  93.5108      4.06658  92.3208     94.2262     49.0916     274.226     
1 1 1 6  5  33 o 119.632 2.13657 74.4954      4.04716  81.8136      3.79838  134.825     275.94      62.1177     275.94      
1 1 1 6  5  34 o 18.2198 4.64309 1.45052      1.75479  1.60149      1.5807   11.1184     159.636     28.4367     159.636     
1 1 1 6  5  35 o 174.11  2.11643 169.372      5.67703  161.643      5.66956  163.006     20.6637     11.9655     20.6637     
1 1 1 6  5  36 o 56.1202 2.85781 16.5854      2.44954  18.0997      2.45302  54.6681     282.605     29.2529     282.605     
1 1 1 6  5  37 o 32.2957 4.244   8.33436      2.12969  3.89885      1.91194  20.473      265.48      92.1038     265.48      
1 1 1 6  5  38 o 96.7    2.33404 51.8795      3.46381  50.6352      3.47655  62.7538     146.283     45.386      326.283     
1 1 1 6  5  39 o 92.9001 2.34532 47.3762      3.33861  47.3536      3.3608   83.0428     74.1718     3.04737     74.1717     
1 1 1 6  5  40 o 29.0307 4.07506 3.79418      1.73316  6.01301      1.7787   11.0198     204.241     14.9832     24.2406     
1 1 1 6  5  41 o 52.403  2.6498  16.4548      2.13442  14.0238      2.10495  31.1456     244.326     27.887      64.3256     
1 1 1 6  5  42 o 122.474 2.14679 81.046       4.18209  83.9869      3.90035  112.249     25.5473     5.92785     25.5473     
1 1 1 6  5  43 o 47.5905 3.00552 12.146       2.16698  13.2684      2.18906  57.4643     207.669     39.1053     207.669     
1 1 1 6  5  44 o 17.8536 4.50844 1.02515      1.65698  2.10472      1.54433  0.396015    20.7658     22.739      200.766     
1 1 1 6  5  45 o 72.3851 2.55222 27.2751      2.83006  31.1729      2.83148  59.2797     133.633     8.45942     313.633     
1 1 1 6  5  46 o 60.3899 2.55226 18.9799      2.34292  21.8235      2.37509  63.9822     36.7735     23.581      36.7735     
1 1 1 6  5  47 o 40.8984 3.69331 10.8553      2.1672   8.65328      2.32023  33.9651     57.2999     1.92818     237.3       
1 1 1 6  5  48 o 35.3277 3.81486 6.87766      2.08198  7.90354      1.90898  34.9257     127.276     11.6326     127.276     
1 1 1 6  5  49 o 27.7342 4.37377 4.59991      1.81687  4.91759      1.82438  25.7284     319.719     12.3396     319.719     
1 1 1 6  5  50 o 41.2057 3.45715 10.8269      2.05768  9.14749      2.20555  38.4498     67.9391     8.17164     67.9391     
1 1 1 6  5  51 o 15.6223 4.46104 0.631073     1.66941  1.24421      1.66271  4.01195     359.801     4.01657     179.801     
1 1 1 6  5  52 o 18.8166 4.97035 1.37328      1.85597  2.77132      2.05917  8.97569     346.599     1.97111     346.599     
1 1 1 6  5  53 o 25.1174 4.91719 3.0231       2.03979  5.63269      2.04063  17.9386     163.773     3.77033     343.773     
1 1 1 6  5  54 o 51.542  3.30463 16.0283      2.60181  16.1068      2.58683  54.3457     284.19      21.1624     284.19      
1 1 1 6  5  55 o 17.6285 4.8478  1.41502      1.97519  2.28208      1.85007  9.94623     238.693     1.74957     58.6925     
1 1 1 6  5  56 o 20.4175 5.40161 4.03351      2.5125   2.21318      2.08714  13.3149     323.664     3.92987     143.664     
1 1 1 6  5  57 o 16.6523 4.62992 -0.704013    1.95581  3.25753      1.96946  9.23867     210.854     4.53695     210.854     
1 1 1 6  5  58 o 25.1687 5.02343 3.71303      2.05785  6.15038      2.12075  18.4521     305.406     2.80359     125.406     
1 1 1 6  5  59 o 17.8455 4.99931 3.88701      2.20554  0.223702     2.27615  12.1226     161.652     3.56955     161.652     
1 1 1 6  5  60 o 20.2688 5.27708 3.3329       2.22124  3.60959      2.12377  13.1008     163.168     0.15654     343.168     
1 1 1 6  5  61 o 15.8629 4.72528 -0.830706    2.1781   3.07541      2.13798  4.4269      132.38      2.315       312.38      
1 1 1 6  5  62 o 16.2177 4.93101 1.24931      2.25056  2.73047      2.25116  7.06728     231.489     1.16649     231.489     
1 1 1 6  5  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  6  0  o 15.7744 4.61475 1.90254      1.11339  1.90254      1.11339  6.04851     180         12.4596     180         
1 1 1 6  6  1  o 122.581 1.95666 78.7134      3.5675   85.0029      3.82066  86.4228     208.685     14.4796     28.6853     
1 1 1 6  6  2  o 142.035 1.88258 110.349      4.11996  109.37       4.11511  74.3071     96.1949     95.5325     276.195     
1 1 1 6  6  3  o 360.066 1.86221 707.596      10.3242  704.403      10.3262  256.198     173.987     158.312     353.987     
1 1 1 6  6  4  o 385.318 1.86649 819.734      11.075   797.327      11.073   332.712     348.073     52.2077     168.073     
1 1 1 6  6  5  f 92.7872 1.9521  43.2581      2.77364  50.7414      2.78607  72.7924     98.735      0           0           
1 1 1 6  6  6  o 390.978 1.8727  830.787      11.275   834.036      11.2747  418.332     111.009     110.98      111.009     
1 1 1 6  6  7  o 207.699 1.9239  220.569      5.94119  249.708      6.36665  132.288     124.746     111.985     304.746     
1 1 1 6  6  8  o 279.095 1.92279 430.083      8.54661  418.301      7.97764  276.324     183.738     41.8501     183.738     
1 1 1 6  6  9  o 80.7686 2.16748 34.4123      2.68802  36.7622      2.69166  22.7421     14.6302     39.0694     194.63      
1 1 1 6  6  10 o 439.251 2.09918 1037.41      13.622   1064.11      14.7654  326.037     197.503     168.454     17.5033     
1 1 1 6  6  11 f 639.461 2.15934 2213.72      22.0718  2240.12      20.4115  513.133     150.498     0           0           
1 1 1 6  6  12 o 315.315 2.00549 517.79       9.73337  565.612      9.72744  380.299     184.752     186.343     184.752     
1 1 1 6  6  13 o 318.205 2.00908 545.999      9.84075  556.861      9.8476   291.85      249.481     1.08188     69.4814     
1 1 1 6  6  14 o 378.342 2.29135 782.786      12.6978  776.446      13.9656  358.85      192.537     19.4123     192.537     
1 1 1 6  6  15 o 648.527 2.24903 2322.93      22.4652  2258.74      22.4519  662.697     199.368     116.441     199.368     
1 1 1 6  6  16 f 139.589 2.24646 102.057      4.81795  110.28       4.83484  155.962     244.399     0           0           
1 1 1 6  6  17 o 170.015 2.21155 158.02       5.79443  156.867      5.78541  124.3       133.087     38.5664     313.087     
1 1 1 6  6  18 o 149.786 1.95262 114.62       4.49281  130.022      4.5019   135.098     148.472     39.4178     148.472     
1 1 1 6  6  19 o 328.871 1.95576 585.689      10.2137  592.571      9.58113  307.289     148.989     12.0529     148.989     
1 1 1 6  6  20 o 57.6335 2.55914 18.3485      2.16302  17.9975      2.35026  7.20815     82.2571     64.2773     82.2571     
1 1 1 6  6  21 o 156.86  2.25936 132.665      4.96619  135.488      5.9166   142.632     206.491     10.6395     206.491     
1 1 1 6  6  22 o 166.773 1.93936 146.473      4.97665  156.683      4.98024  163.439     48.5723     32.2211     48.5723     
1 1 1 6  6  23 f 50.383  2.44148 14.0767      1.88681  13.7308      1.87856  113.459     278.697     0           0           
1 1 1 6  6  24 o 220.787 1.97928 266.071      6.96196  265.237      6.48907  190.577     175.767     21.6531     355.767     
1 1 1 6  6  25 o 176.769 2.06748 173.83       5.63049  166.842      5.62346  192.724     306.034     69.1782     306.034     
1 1 1 6  6  26 o 73.4413 2.26321 24.8192      2.43118  34.5104      2.65474  11.7014     189.855     99.1437     9.85466     
1 1 1 6  6  27 o 79.6749 2.2232  34.4344      2.61305  34.9072      2.82858  53.6292     80.2709     18.5944     260.271     
1 1 1 6  6  28 o 232.961 2.14842 295.336      7.4226   296.561      7.98253  255.925     73.4686     89.8693     73.4686     
1 1 1 6  6  29 o 79.0631 2.42545 30.6137      2.85415  37.9235      3.02803  68.8621     55.6137     15.5067     55.6136     
1 1 1 6  6  30 o 154.2   2.03711 127.523      4.66504  131.827      5.00783  160.086     80.1765     44.5844     80.1765     
1 1 1 6  6  31 o 110.739 2.34697 65.8953      3.98994  68.0657      4.00484  105.544     76.2126     17.6297     76.2126     
1 1 1 6  6  32 o 108.68  2.09094 62.2494      3.48351  66.7436      3.50612  100.999     212.842     12.5515     212.842     
1 1 1 6  6  33 o 177.86  1.98212 169.041      5.42228  176.122      5.43369  175.998     302.65      32.358      302.65      
1 1 1 6  6  34 f 77.5351 2.43823 28.7496      2.87109  37.3331      2.90226  78.9605     12.8656     0           0           
1 1 1 6  6  35 o 135.926 2.34561 103.25       4.90719  98.6846      4.91009  109.804     59.2072     24.164      239.207     
1 1 1 6  6  36 o 47.3516 3.09909 12.6478      2.22657  12.1572      2.2405   36.7393     332.667     5.64235     332.667     
1 1 1 6  6  37 o 101.419 2.36839 54.3948      3.58498  58.3517      3.80354  106.955     211.347     37.1257     211.347     
1 1 1 6  6  38 o 15.4176 4.44362 1.32256      1.7971   -0.621879    1.65282  26.8996     117.155     68.6463     117.155     
1 1 1 6  6  39 o 91.7106 2.24539 46.6135      3.25292  45.6999      3.07861  84.213      15.9642     7.65572     15.9642     
1 1 1 6  6  40 o 49.0322 2.88112 13.216       2.15146  13.4914      2.1599   30.3716     39.3769     21.8725     219.377     
1 1 1 6  6  41 o 98.1581 2.26692 53.7395      3.42473  52.3521      3.41873  121.29      84.3848     70.2581     84.3848     
1 1 1 6  6  42 o 69.6712 2.38421 25.7317      2.55145  27.967       2.5454   58.9927     337.31      4.30271     157.31      
1 1 1 6  6  43 o 21.3762 4.33141 0.709621     1.66105  4.34634      1.70521  8.68176     215.134     10.3347     35.1345     
1 1 1 6  6  44 o 22.382  4.56789 2.32758      1.61228  3.63443      1.74675  11.1351     205.643     7.63882     25.6433     
1 1 1 6  6  45 o 53.919  2.87498 16.9439      2.36446  15.76        2.37149  46.8587     49.7738     0.8204      49.7735     
1 1 1 6  6  46 o 76.8069 2.51531 31.6546      2.97093  34.2389      2.95859  77.2801     307.587     20.1761     307.587     
1 1 1 6  6  47 o 64.862  2.54886 26.0709      2.52669  21.2471      2.52323  53.0421     118.435     7.35733     298.435     
1 1 1 6  6  48 o 57.4726 3.04533 19.3763      2.58444  18.4098      2.75621  45.5982     145.359     8.39817     325.359     
1 1 1 6  6  49 o 34.7388 4.05573 7.13352      2.08925  7.46615      2.098    24.6831     108.017     8.22443     288.017     
1 1 1 6  6  50 o 27.1489 4.44771 4.73074      1.81744  4.50474      1.82891  20.9596     178.703     0.489383    178.703     
1 1 1 6  6  51 o 18.1826 4.82608 1.6805       1.82927  1.99107      1.83375  3.86234     230.139     18.5443     50.1386     
1 1 1 6  6  52 o 21.7968 5.07845 3.1698       1.97942  3.19325      1.97224  10.408      183.109     12.5886     3.10863     
1 1 1 6  6  53 o 17.7424 5.11821 0.852317     2.42446  2.1602       2.09591  7.86016     94.3338     10.2287     274.334     
1 1 1 6  6  54 o 18.0417 5.03957 2.38856      2.15024  1.44199      2.00375  7.18267     191.808     3.26686     191.808     
1 1 1 6  6  55 o 30.5186 4.87322 7.35514      2.24153  5.76012      2.24401  28.2003     9.96352     8.01954     9.96352     
1 1 1 6  6  56 o 16.0947 4.66969 0.767669     1.89738  1.92248      1.8602   10.3584     70.4385     1.94377     70.4385     
1 1 1 6  6  57 o 23.9846 4.97494 2.64123      2.08588  6.15757      2.1194   16.0492     305.581     5.98252     125.581     
1 1 1 6  6  58 o 23.9062 5.04711 5.95393      2.12665  3.06599      2.06735  21.2816     162.441     6.98485     162.441     
1 1 1 6  6  59 o 13.8807 4.4272  -0.532771    2.16211  0.935183     1.93259  5.84064     282.108     2.14903     102.108     
1 1 1 6  6  60 o 29.8731 5.4012  6.64297      2.47029  8.03582      2.53503  23.2489     222.571     0.518798    222.571     
1 1 1 6  6  61 o 20.5269 5.46869 2.59359      2.23235  5.17666      2.55983  12.7181     183.988     0.925759    3.98848     
1 1 1 6  6  62 o 21.7942 5.32299 5.1752       2.18711  3.88243      2.21851  16.8826     104.641     2.32295     104.641     
1 1 1 6  7  0  o 743.283 1.9645  3008.3       22.4845  3008.3       22.4845  751.795     6.5542e-06  103.39      6.5542e-06  
1 1 1 6  7  1  o 227.59  1.859   290.106      6.51928  274.123      6.5074   188.608     248.063     34.6831     68.0631     
1 1 1 6  7  2  o 247.864 1.98841 329.248      7.5799   339.911      7.59782  229.471     164.235     9.01146     164.235     
1 1 1 6  7  3  o 87.1293 1.97372 39.5383      2.64076  43.2688      2.64473  16.4128     220.617     91.4639     40.6172     
1 1 1 6  7  4  o 633.312 1.92956 2174.2       18.8114  2194.03      18.8237  582.07      45.0926     22.3531     225.093     
1 1 1 6  7  5  o 186.959 1.87055 191.727      5.38366  188.956      5.38659  159.704     296.991     10.9724     116.991     
1 1 1 6  7  6  f 211.711 1.86437 232.092      6.0625   256.356      6.08341  124.607     6.68282     0           0           
1 1 1 6  7  7  o 118.837 1.92318 79.6919      3.52306  74.1645      3.51258  37.8389     349.343     125.525     169.343     
1 1 1 6  7  8  o 387.41  2.00383 819.308      11.9675  815.346      11.941   359.307     168.057     0.381303    348.055     
1 1 1 6  7  9  o 250.117 1.99944 346.179      7.70352  335.216      7.69685  215.572     312.988     24.5011     132.988     
1 1 1 6  7  10 o 403.348 2.00752 876.966      12.468   895.025      12.4689  430.895     329.309     115.761     329.309     
1 1 1 6  7  11 o 137.437 1.93096 100.542      4.08356  105.211      4.08823  110.045     271.226     1.02846     271.226     
1 1 1 6  7  12 o 167.468 2.02104 154.587      5.21041  150.893      5.21279  107.962     134.153     74.9418     314.153     
1 1 1 6  7  13 o 61.2247 2.64764 20.3057      2.48027  20.6851      2.48811  40.1361     289.965     145.476     289.965     
1 1 1 6  7  14 o 80.7023 2.43206 36.1577      3.14802  34.9266      2.88084  6.65127     8.26045     52.4032     188.26      
1 1 1 6  7  15 o 460.91  2.54998 1167.25      19.0788  1147.3       17.0791  329.61      220.119     193.867     40.1185     
1 1 1 6  7  16 o 291.185 2.27545 476.472      10.6829  447.473      9.72305  171.18      234.984     189.039     54.9836     
1 1 1 6  7  17 o 116.35  2.11847 74.8455      3.79195  72.7406      3.79234  68.5154     249.454     21.4752     249.454     
1 1 1 6  7  18 o 329.613 1.89076 586.841      9.59416  596.732      9.59919  255.874     313.997     93.2624     133.997     
1 1 1 6  7  19 o 213.873 1.96303 253.1        6.67127  245.283      6.25753  164.253     218.903     57.0057     38.9033     
1 1 1 6  7  20 o 220.964 2.09296 278.773      7.38812  253.56       6.85812  218.349     211.917     38.1354     211.917     
1 1 1 6  7  21 o 74.9411 2.2633  31.5325      2.60296  29.8046      2.60701  32.8492     296.206     41.7345     116.206     
1 1 1 6  7  22 o 206.919 1.91301 240.493      6.09926  226.2        6.08777  154.089     127.804     67.9067     307.804     
1 1 1 6  7  23 o 87.708  2.08764 44.016       2.82154  39.9806      2.80536  76.9017     247.558     30.6763     247.558     
1 1 1 6  7  24 o 177.578 2.00486 171.047      5.29021  172.691      5.66957  133.177     201.098     54.9556     21.0979     
1 1 1 6  7  25 o 115.097 2.2359  67.558       3.79702  77.1671      4.12293  129.065     278.045     71.9172     278.045     
1 1 1 6  7  26 o 203.391 2.23545 222.067      6.98888  229.127      7.01307  214.987     249.681     63.8699     249.681     
1 1 1 6  7  27 o 36.705  3.20297 8.98554      1.64447  6.10117      1.79738  30.9041     336.121     107.883     336.121     
1 1 1 6  7  28 o 92.0546 2.18017 45.1403      2.96449  47.4091      3.20749  79.0048     333.907     5.44313     333.907     
1 1 1 6  7  29 o 28.199  4.18655 4.10194      1.76944  4.95066      1.75133  16.3312     357.819     57.1518     357.819     
1 1 1 6  7  30 o 138.528 2.0772  101.966      4.58715  107.393      4.25798  118.416     219.25      10.5964     39.2496     
1 1 1 6  7  31 o 212.68  1.94535 252.274      6.37687  241.114      6.36314  185.225     178.466     14.7137     358.466     
1 1 1 6  7  32 o 94.0473 2.21772 46.1673      3.12258  50.5234      3.29247  81.1126     221.052     1.1878      221.052     
1 1 1 6  7  33 o 149.3   2.08459 123.672      4.65217  119.616      4.92356  137.132     99.5136     7.54185     99.5136     
1 1 1 6  7  34 o 74.2122 2.82055 31.1208      3.07545  29.3278      3.33172  38.54       147.32      51.4824     327.32      
1 1 1 6  7  35 o 170.44  2.2157  153.482      5.57007  164.055      6.06161  173.2       119.023     40.4406     119.023     
1 1 1 6  7  36 o 41.9866 3.38427 8.23712      2.10347  11.5335      2.14406  26.3071     289.597     5.59512     289.597     
1 1 1 6  7  37 o 123.493 2.40695 82.3906      4.57251  84.8136      4.57244  111.798     41.8928     4.77493     41.8927     
1 1 1 6  7  38 o 133.575 2.04303 96.4857      4.20141  98.809       4.2028   133.261     54.3674     29.3295     54.3674     
1 1 1 6  7  39 o 110.925 2.09002 62.7482      3.54288  72.3264      3.58219  129.003     15.4324     63.1887     15.4324     
1 1 1 6  7  40 o 111.068 2.21406 63.7828      3.76804  71.9617      3.78852  96.6624     96.3698     3.77475     276.37      
1 1 1 6  7  41 o 69.9429 2.67142 26.485       2.86603  27.7623      2.8658   66.0868     260.76      9.89082     260.76      
1 1 1 6  7  42 o 96.1405 2.25299 48.6094      3.43817  53.4638      3.20134  88.886      103.037     7.87899     103.037     
1 1 1 6  7  43 o 81.5825 2.5189  37.754       3.25096  36.1652      3.06275  93.8573     355.649     45.4095     355.649     
1 1 1 6  7  44 o 25.153  4.84034 3.83083      1.79339  3.81705      2.06116  13.9696     35.3906     9.35238     215.391     
1 1 1 6  7  45 o 21.45   4.59655 3.27474      1.63011  2.13469      1.7257   9.56648     77.8802     11.5383     257.88      
1 1 1 6  7  46 o 25.1548 4.87196 4.35571      1.8551   3.39678      2.06795  17.1724     229.429     4.97598     49.4291     
1 1 1 6  7  47 o 35.4508 3.87296 6.38157      2.01344  8.57849      2.04709  34.8087     49.7623     11.1948     49.7623     
1 1 1 6  7  48 o 38.8076 3.57527 8.7054       1.97465  9.01114      2.19275  26.3934     173.449     12.6937     353.449     
1 1 1 6  7  49 o 63.872  2.80509 20.8413      2.71672  25.8155      2.75075  63.3774     28.9914     17.0258     28.9914     
1 1 1 6  7  50 o 19.4647 4.84614 0.566608     2.01397  3.44815      1.91022  9.65511     137.398     5.43813     317.398     
1 1 1 6  7  51 o 22.1574 5.44227 4.29476      2.54487  2.28167      2.03113  15.6651     165.496     3.64122     165.496     
1 1 1 6  7  52 o 21.7534 4.91519 4.52673      1.99797  1.70841      1.95653  15.9808     339.784     0.68604     339.784     
1 1 1 6  7  53 o 18.0245 4.99517 2.98352      2.16848  0.556114     2.02729  10.4723     63.6575     4.88405     243.658     
1 1 1 6  7  54 o 13.1843 4.23185 -0.195114    1.87162  -0.463688    1.86084  3.33692     43.5522     4.95841     223.552     
1 1 1 6  7  55 o 14.717  4.40478 -0.811081    1.81797  1.82643      1.83648  2.80909     54.3541     15.1925     234.354     
1 1 1 6  7  56 o 53.5468 3.17937 20.1435      2.64588  15.3605      2.52026  58.0662     69.6443     25.7674     69.6443     
1 1 1 6  7  57 o 28.5567 5.13082 7.64124      2.39665  4.97445      2.18109  23.2111     273.161     0.737549    273.161     
1 1 1 6  7  58 o 17.0109 4.91471 1.73402      2.05605  2.18097      2.03181  10.7133     351.414     0.320087    351.414     
1 1 1 6  7  59 o 11.8123 3.97786 -0.940527    2.04957  -1.39719     1.92947  1.62906     145.57      6.2681      325.57      
1 1 1 6  7  60 o 18.6995 5.4228  2.74176      2.68675  3.06049      2.34159  7.85057     172.591     6.41299     352.591     
1 1 1 6  7  61 o 11.6915 3.98738 -1.48903     1.99118  -1.18838     2.28233  0.966638    98.1206     6.49801     278.121     
1 1 1 6  7  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  8  0  o 203.95  1.87107 226.599      5.87405  226.599      5.87405  205.072     180         27.2817     180         
1 1 1 6  8  1  o 92.6194 1.99138 53.8945      2.83158  40.1289      2.80008  9.82551     325.11      126.119     145.11      
1 1 1 6  8  2  o 569.667 1.97822 1794.37      16.7664  1740.27      17.9014  555.894     332.193     49.1687     332.193     
1 1 1 6  8  3  o 471.873 1.88625 1209.37      13.7022  1215.67      13.71    481.977     183.725     86.9085     183.725     
1 1 1 6  8  4  o 576.056 1.91227 1755.68      16.937   1859.19      16.9799  539.181     76.7829     3.66107     76.7827     
1 1 1 6  8  5  o 257.241 1.86979 350.219      7.39816  370.619      7.41105  225.241     182.526     18.1847     2.5255      
1 1 1 6  8  6  o 159.381 2.03727 138.648      5.00457  138.022      4.99553  111.373     86.9722     54.4011     266.972     
1 1 1 6  8  7  o 339.295 2.0023  643.331      10.473   610.724      10.4455  357.044     57.2891     91.7635     57.2891     
1 1 1 6  8  8  o 304.039 2.00195 512.004      9.38499  494.884      9.35908  182.186     257.359     195.274     77.3586     
1 1 1 6  8  9  o 529.728 1.9712  1548         16.6496  1508.44      15.5018  473.827     3.7574      36.7104     183.757     
1 1 1 6  8  10 o 227.869 1.87787 286.893      6.59317  278.67       6.58457  258.965     305.115     123.289     305.115     
1 1 1 6  8  11 f 113.206 2.2183  66.1477      3.71421  73.6575      4.01434  195.813     140.976     0           0           
1 1 1 6  8  12 o 127.603 2.22672 85.8472      4.36671  91.6223      4.37715  85.0233     131.406     14.4733     311.406     
1 1 1 6  8  13 o 303.439 2.0863  500.139      10.1015  502.825      9.3802   311.96      257.302     78.2094     257.302     
1 1 1 6  8  14 o 184.461 2.04917 187.984      5.39743  182.681      6.20344  119.47      260.607     80.4193     80.6071     
1 1 1 6  8  15 o 163.782 2.20008 145.412      5.5487   146.828      5.54869  117.409     2.44358     42.3509     182.444     
1 1 1 6  8  16 o 145.485 2.35396 117.332      5.00175  113.311      5.52228  136.693     6.31146     54.2262     6.31146     
1 1 1 6  8  17 o 185.228 2.03875 193.445      5.8188   180.468      5.80665  164.53      118.797     4.99472     118.797     
1 1 1 6  8  18 o 329.848 1.95434 603.099      10.2723  582.383      9.57879  341.065     263.973     78.9019     263.973     
1 1 1 6  8  19 o 176.565 2.16918 178.719      6.5819   161.246      5.19119  156.893     76.1        0.201174    76.0987     
1 1 1 6  8  20 o 281.89  2.09785 430.596      9.45149  435.407      8.74316  283.106     19.5129     51.8507     19.5129     
1 1 1 6  8  21 o 222.17  2.0325  271.234      6.9538   266.739      6.95292  158.999     102.775     86.4959     282.775     
1 1 1 6  8  22 o 140.413 1.95459 105.742      4.22851  109.156      4.22305  126.882     25.2819     6.90144     25.2819     
1 1 1 6  8  23 o 113.429 1.99675 65.1603      3.46882  75.3168      3.49094  78.5807     251.836     40.2881     71.8364     
1 1 1 6  8  24 o 157.499 1.94342 133.457      4.71132  136.959      4.71494  131.05      249.227     19.0611     69.2272     
1 1 1 6  8  25 o 145.976 2.01853 115.353      4.39466  116.98       4.67752  152.389     294.069     49.8779     294.069     
1 1 1 6  8  26 o 115.256 2.01505 70.7526      3.57549  74.1603      3.57267  91.6077     220.456     15.6225     40.4557     
1 1 1 6  8  27 o 143.93  2.12405 111.573      4.69842  114.377      4.71662  160.831     232.705     70.7427     232.705     
1 1 1 6  8  28 o 129.336 2.25187 89.8865      4.30522  92.685       4.65835  111.559     263.225     5.45934     83.2253     
1 1 1 6  8  29 o 49.3917 3.22271 11.9016      1.94427  15.0915      2.89354  24.4726     231.401     16.5688     51.4012     
1 1 1 6  8  30 o 172.766 2.28509 154.382      6.02854  171.569      6.12179  166.605     337.629     23.3412     337.629     
1 1 1 6  8  31 o 21.4665 4.59312 2.4304       1.72275  2.65691      1.57912  17.3497     245.824     47.5499     245.824     
1 1 1 6  8  32 o 41.7708 3.08877 8.70637      1.93372  10.6407      1.96646  15.6398     273.395     12.3277     93.3951     
1 1 1 6  8  33 o 74.1802 2.70204 32.2582      3.0659   28.1456      3.07442  75.0784     94.5658     29.5444     94.5658     
1 1 1 6  8  34 o 90.4252 2.52175 45.8232      3.49959  43.7546      3.5078   84.1299     253.073     10.9629     253.073     
1 1 1 6  8  35 o 117.527 2.08891 74.559       3.78444  76.4391      3.77273  118.151     230.874     29.0744     230.874     
1 1 1 6  8  36 o 18.5816 4.86862 1.85192      1.85775  1.14324      1.86372  12.2999     344.008     37.409      344.008     
1 1 1 6  8  37 f 45.9713 3.0849  10.7087      2.01622  12.8103      2.30229  48.9629     314.895     0           0           
1 1 1 6  8  38 o 60.1963 2.61785 22.4789      2.31525  17.6459      2.46394  37.5641     355.631     27.6322     175.631     
1 1 1 6  8  39 o 38.3388 3.30908 7.70028      1.83316  8.84787      1.99382  32.2013     135.946     9.88042     135.946     
1 1 1 6  8  40 o 98.521  2.1468  54.5672      3.25175  52.2222      3.2531   95.9632     274.206     18.0426     274.206     
1 1 1 6  8  41 o 30.7855 3.90885 5.14659      1.76123  5.8468       1.80749  25.7189     65.4984     6.75813     65.4984     
1 1 1 6  8  42 o 52.9194 2.82354 14.0681      2.23793  17.3269      2.31714  32.2277     169.126     27.1419     349.126     
1 1 1 6  8  43 o 32.3448 4.24827 6.7577       1.91648  5.60278      2.1374   17.3266     79.113      18.2646     259.113     
1 1 1 6  8  44 o 15.5212 4.40881 1.28438      1.65269  0.155404     1.6193   0.945841    117.744     2.40404     297.744     
1 1 1 6  8  45 o 19.115  4.4842  0.471378     1.75464  3.2037       1.63673  9.5266      10.3925     4.88107     190.393     
1 1 1 6  8  46 o 31.3697 4.09509 5.9617       1.99082  5.80351      1.81831  18.1187     256.63      16.4474     76.6299     
1 1 1 6  8  47 o 37.8951 3.74093 8.84341      2.15557  8.1199       2.09066  40.4748     297.416     19.2881     297.416     
1 1 1 6  8  48 o 41.672  3.75058 9.52753      2.42713  11.0994      2.23427  36.595      247.408     3.55635     247.408     
1 1 1 6  8  49 o 29.532  4.58757 4.21405      2.01304  6.85298      2.07623  23.8303     182.764     1.71063     182.764     
1 1 1 6  8  50 o 12.7682 4.12927 -0.163067    1.80788  -1.65929     1.88995  0.495127    69.8151     2.79671     249.815     
1 1 1 6  8  51 o 14.425  4.38728 1.05236      1.79928  -0.555459    1.80486  2.43591     84.278      12.5582     264.278     
1 1 1 6  8  52 o 66.7664 2.88211 24.8934      2.93689  27.4597      2.95582  66.6091     335.195     18.9584     335.195     
1 1 1 6  8  53 o 21.2767 5.19992 3.03777      2.1096   3.30191      2.03961  16.5928     126.66      3.32544     126.66      
1 1 1 6  8  54 o 26.7948 5.13439 5.71559      2.21464  4.71382      2.13934  25.6383     170.665     12.8168     170.665     
1 1 1 6  8  55 o 15.159  4.51229 -1.91251     2.29237  2.17794      1.83643  7.38286     156.525     5.46941     336.525     
1 1 1 6  8  56 o 22.4607 5.11458 3.25376      2.01545  4.5336       2.05065  17.3625     261.043     0.349901    261.043     
1 1 1 6  8  57 o 23.2798 5.27375 3.52437      2.16078  5.24425      2.19604  20.327      17.9542     6.76091     17.9542     
1 1 1 6  8  58 o 20.8817 5.34087 2.47529      2.14096  4.9106       2.37863  16.7887     269.715     5.09464     269.715     
1 1 1 6  8  59 o 15.4698 4.68696 1.95464      1.99609  0.496423     2.06988  2.79661     167.915     0.530354    347.915     
1 1 1 6  8  60 o 17.0259 5.04896 1.03842      2.24996  3.0422       2.30956  5.788       140.585     0.844906    320.585     
1 1 1 6  8  61 o 17.7246 5.01367 3.88116      2.10586  1.32584      2.33669  10.6578     241.304     0.945042    61.304      
1 1 1 6  8  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  9  0  o 702.273 1.95117 2685.54      21.0997  2685.54      21.0997  734.586     5.50006e-06 155.779     5.50006e-06 
1 1 1 6  9  1  o 736.079 1.96658 3003.44      22.2772  2898.15      22.2988  695.349     130.665     19.6172     130.665     
1 1 1 6  9  2  o 341.315 1.86892 652.888      9.82968  616.157      9.81029  345.784     317.946     66.8729     317.946     
1 1 1 6  9  3  o 654.209 1.935   2335.13      19.4954  2326.28      19.4913  648.925     183.468     81.3739     183.468     
1 1 1 6  9  4  o 145.086 2.13359 118.025      4.59452  111.302      4.92082  110.88      189.403     16.7815     9.40284     
1 1 1 6  9  5  o 325.015 2.08692 572.388      10.8487  578.189      10.02    304.681     58.6876     15.8597     58.6876     
1 1 1 6  9  6  o 468.714 2.02641 1201.75      14.6368  1191.12      14.615   486.184     164.807     107.558     164.807     
1 1 1 6  9  7  o 615.724 2.06331 2091.4       19.6061  2038.13      19.519   720.183     227.14      300.597     227.14      
1 1 1 6  9  8  o 122.658 1.96868 83.3659      3.7213   80.5146      3.71483  80.4124     345.82      13.0011     165.82      
1 1 1 6  9  9  o 545.327 1.97168 1627.27      16.0091  1611.85      17.0822  525.53      49.4852     43.0838     49.4852     
1 1 1 6  9  10 o 180.377 2.01487 158.935      5.55705  196.451      5.59273  153.698     117.188     4.72451     117.188     
1 1 1 6  9  11 o 273.009 2.1676  406.257      9.11807  405.666      9.10735  293.962     307.535     106.199     307.535     
1 1 1 6  9  12 o 76.0746 2.41595 30.981       2.81536  32.2049      2.83007  1.48707     244.12      60.4937     244.12      
1 1 1 6  9  13 o 305.173 1.87118 505.07       8.79184  509.394      8.79464  295.052     265.279     39.1141     265.279     
1 1 1 6  9  14 f 275.182 2.16139 418.114      9.16053  406.943      9.15605  181.83      102.86      0           0           
1 1 1 6  9  15 o 125.668 2.25402 81.6855      4.35347  90.5663      4.35754  103.403     352.814     16.8114     352.814     
1 1 1 6  9  16 o 184.233 2.03795 176.692      5.77287  193.307      5.78206  148.186     163.998     29.3877     343.998     
1 1 1 6  9  17 o 100.062 2.24298 51.5139      3.29047  57.7992      3.61542  77.9297     70.2125     7.84011     70.2125     
1 1 1 6  9  18 o 62.6294 2.24028 20.5493      2.14846  22.3289      2.15608  14.4433     167.572     42.9384     347.572     
1 1 1 6  9  19 o 158.871 1.98728 134.909      5.00207  140.177      4.71014  102.204     311.38      79.0027     131.38      
1 1 1 6  9  20 f 162.712 2.0559  138.879      5.14333  149.789      5.15397  162.758     123.794     0           0           
1 1 1 6  9  21 o 78.0813 2.23749 32.7591      2.68943  33.8239      2.67929  59.5113     346.001     23.1016     346.001     
1 1 1 6  9  22 o 154.158 1.94006 130.162      4.6021   128.873      4.60862  135.912     30.0149     1.99613     210.015     
1 1 1 6  9  23 o 76.4394 2.2568  29.7836      2.73548  34.1205      2.53874  57.8263     328.71      8.55484     328.71      
1 1 1 6  9  24 o 116.72  2.08024 72.3687      3.86704  76.2597      3.59277  113.431     221.638     29.9464     221.638     
1 1 1 6  9  25 o 57.3752 2.56109 17.5946      2.25288  18.4793      2.24832  12.157      93.6154     59.0784     273.615     
1 1 1 6  9  26 o 34.3306 3.20441 7.86582      1.62827  5.35948      1.62215  6.32006     330.688     35.5766     330.688     
1 1 1 6  9  27 o 58.5528 2.43527 16.3601      2.16408  21.3522      2.17931  36.9724     186.462     5.75631     6.46191     
1 1 1 6  9  28 o 50.5689 2.83527 13.8623      2.19037  14.2488      2.18882  11.4428     249.317     3.55252     249.317     
1 1 1 6  9  29 o 267.775 2.14583 404.233      9.21994  378.262      8.47818  268.128     26.607      51.7005     26.607      
1 1 1 6  9  30 o 108.602 2.18435 60.8289      3.49395  68.0854      3.80683  88.5809     179.353     12.0845     359.353     
1 1 1 6  9  31 o 98.5266 2.32424 52.427       3.5327   53.6894      3.50941  77.8732     115.342     14.9033     295.342     
1 1 1 6  9  32 o 59.9521 3.23284 19.2044      2.99469  20.4025      2.92428  44.3697     87.9551     6.79355     267.955     
1 1 1 6  9  33 o 17.8726 4.81983 1.08965      1.77624  1.38881      1.90826  13.4047     259.72      39.4157     259.72      
1 1 1 6  9  34 o 158.972 2.09012 143.055      4.94133  133.179      5.26975  138.598     297.435     6.73174     117.435     
1 1 1 6  9  35 o 61.7689 2.93942 18.8491      2.7482   23.3441      2.7895   21.1983     332.509     62.9278     152.509     
1 1 1 6  9  36 o 35.2236 3.91917 6.73602      1.96926  7.33051      2.1429   11.6905     321.448     25.9866     141.448     
1 1 1 6  9  37 o 85.7253 2.21747 39.2136      2.91689  41.4541      2.9262   83.8522     235.312     19.5833     235.312     
1 1 1 6  9  38 o 92.8217 2.17148 47.1344      3.09791  47.4967      3.10115  93.8362     280.414     25.6672     280.414     
1 1 1 6  9  39 o 46.6782 2.94059 10.5207      1.99665  13.8993      2.17467  13.3092     260.954     53.4885     80.9545     
1 1 1 6  9  40 o 63.9816 2.55981 24.3397      2.38919  21.0938      2.60232  65.7339     50.4497     21.1692     50.4497     
1 1 1 6  9  41 o 100.101 2.44468 59.317       3.79865  51.724       3.71819  85.3921     280.486     5.57603     100.486     
1 1 1 6  9  42 o 42.4529 3.38953 9.81871      2.0177   10.7065      2.33451  34.9164     167.428     1.11458     347.428     
1 1 1 6  9  43 o 73.0989 2.4732  32.1902      2.67743  27.3703      2.84235  73.6004     236.276     20.421      236.276     
1 1 1 6  9  44 o 53.1102 2.93957 14.4001      2.35419  17.5017      2.40063  45.4225     43.3362     0.281832    223.337     
1 1 1 6  9  45 o 61.3881 2.77519 19.6394      2.61687  22.8784      2.58676  51.2631     57.7596     3.97864     237.76      
1 1 1 6  9  46 o 42.0348 3.30733 10.1325      2.16761  10.2981      2.03696  35.345      310.337     0.498763    130.337     
1 1 1 6  9  47 o 32.9257 3.86339 5.5705       1.86609  7.47675      1.8903   21.799      275.999     10.5398     95.9986     
1 1 1 6  9  48 o 56.3715 2.94846 16.6405      2.53632  19.8884      2.52699  55.3173     223.39      14.8634     223.39      
1 1 1 6  9  49 o 17.8535 4.85713 0.947399     1.96698  2.17774      1.86931  7.31844     234.067     3.52015     54.0666     
1 1 1 6  9  50 f 17.2264 5.02927 2.16122      2.31512  0.0724778    2.10665  19.5266     293.841     0           0           
1 1 1 6  9  51 o 20.2472 5.16591 2.32081      2.09602  3.00977      2.05039  12.5452     241.031     3.72708     61.0309     
1 1 1 6  9  52 o 22.5083 5.64841 2.82984      2.7783   4.32762      2.30903  16.0979     320.781     1.91378     140.781     
1 1 1 6  9  53 o 17.6783 4.87515 1.27         1.84072  2.45665      2.018    6.19219     274.44      13.275      94.44       
1 1 1 6  9  54 o 18.0753 4.73645 0.479101     1.85656  3.45555      1.93107  4.88747     344.238     17.6888     164.238     
1 1 1 6  9  55 o 14.623  4.48302 0.225049     1.88234  1.11179      1.87553  7.69297     298.578     3.85261     118.578     
1 1 1 6  9  56 o 38.738  4.28269 10.3308      2.27764  10.2489      2.63478  38.5856     352.54      13.7192     352.54      
1 1 1 6  9  57 o 22.1706 5.19178 3.96948      2.03383  4.00543      2.09496  16.5622     51.7729     0.0869491   51.7728     
1 1 1 6  9  58 o 21.1505 5.40813 4.10711      2.15483  3.57397      2.41881  14.61       93.71       0.73125     273.71      
1 1 1 6  9  59 o 21.3409 5.19248 4.64497      2.10816  2.98671      2.1183   12.6772     262.797     1.67784     82.7968     
1 1 1 6  9  60 o 17.3761 5.07368 2.84955      2.27486  2.1488       2.13439  7.52331     79.8261     7.14996     259.826     
1 1 1 6  9  61 o 12.7792 4.26867 0.118256     2.14948  -0.907612    2.29253  3.01289     138.006     0.267431    318.006     
1 1 1 6  10 0  o 268.879 1.8765  393.771      7.76783  393.771      7.76783  248.986     180         2.7276      9.02021e-06 
1 1 1 6  10 1  o 257.281 1.87259 371.772      7.42722  349.358      7.40587  287.384     193.998     123.189     193.998     
1 1 1 6  10 2  o 84.0934 2.252   41.3138      2.9295   35.9225      2.88452  6.92846     80.1998     83.2052     260.2       
1 1 1 6  10 3  o 456.553 2.01483 1128.42      14.1681  1141.96      14.1616  513.288     157.11      190.553     157.11      
1 1 1 6  10 4  o 124.63  2.18906 83.6176      4.0268   85.6376      4.36842  77.742      181.966     25.2284     1.96624     
1 1 1 6  10 5  o 425.555 2.01341 1002.57      13.2082  970.118      13.1777  485.209     180.893     194.607     180.893     
1 1 1 6  10 6  o 188.402 1.89311 197.014      5.49648  189.634      5.48672  133.03      77.9155     58.7209     257.916     
1 1 1 6  10 7  o 430.009 1.88232 1002.4       12.4672  1011.63      12.4607  443.067     79.8937     100.858     79.8937     
1 1 1 6  10 8  f 474.872 2.01338 1238.67      14.7337  1217.73      14.7113  387.585     182.984     0           0           
1 1 1 6  10 9  o 158.022 2.02141 129.005      4.90621  143.19       4.9222   138.218     281.564     32.5026     281.564     
1 1 1 6  10 10 o 130.406 2.15462 89.9706      4.17067  95.331       4.48344  29.5766     334.756     158.421     154.756     
1 1 1 6  10 11 o 54.5888 2.51823 15.8723      2.10466  16.7431      2.1047   10.927      23.5298     40.6559     23.5298     
1 1 1 6  10 12 o 176.871 1.95941 164.998      5.48633  175.891      5.16803  159.785     46.1076     18.1751     46.1076     
1 1 1 6  10 13 o 198.894 2.0129  210.5        6.17569  220.544      6.15123  172.73      266.116     4.66382     86.1162     
1 1 1 6  10 14 o 274.141 2.14873 412.197      9.07293  406.708      9.0684   275.761     326.19      56.6408     326.19      
1 1 1 6  10 15 o 140.01  2.11758 105.601      4.38923  108.015      4.7386   115.339     335.517     9.18327     155.517     
1 1 1 6  10 16 o 74.6071 2.25798 31.2044      2.59367  29.5838      2.58146  1.37551     121.704     115.284     301.704     
1 1 1 6  10 17 o 286.9   2.00778 448.914      8.86819  448.101      8.87232  285.085     285.944     48.6539     285.944     
1 1 1 6  10 18 o 176.525 1.98295 171.23       5.20496  168.383      5.5661   216.898     220.72      128.408     220.72      
1 1 1 6  10 19 o 173.086 1.9748  159.753      5.41324  166.814      5.10049  168.929     253.613     30.1833     253.613     
1 1 1 6  10 20 o 191.847 2.02351 203.23       5.97628  197.988      5.97879  175.824     55.0522     7.02229     55.0521     
1 1 1 6  10 21 o 67.7431 2.34704 23.0745      2.42669  27.1777      2.44375  17.0386     285.258     73.4695     105.258     
1 1 1 6  10 22 o 74.5642 2.21608 27.034       2.45711  33.8987      2.61093  54.2001     36.5756     14.4081     36.5756     
1 1 1 6  10 23 o 203.851 1.92736 227.005      6.04817  226.035      6.05206  206.922     329.098     49.1839     329.098     
1 1 1 6  10 24 o 96.6632 2.07563 52.8597      3.08783  49.1638      3.08134  50.7082     206.239     63.7875     26.2387     
1 1 1 6  10 25 o 45.403  2.67605 11.7498      1.85756  10.919       1.84863  8.72733     87.6617     32.0793     267.662     
1 1 1 6  10 26 o 240.308 1.99387 322.659      7.11987  307.215      7.61291  206.517     194.323     21.4065     14.3227     
1 1 1 6  10 27 o 187.786 2.01979 193.897      6.03925  190.728      5.63811  190.76      214.279     45.1769     214.279     
1 1 1 6  10 28 o 325.09  2.07925 585.068      11.1557  567.878      9.62631  299.592     212.051     10.6333     212.051     
1 1 1 6  10 29 o 211.475 2.18785 239.046      7.38879  249.054      6.83614  240.072     112.384     102.156     112.384     
1 1 1 6  10 30 f 84.7597 2.50741 39.7771      3.40252  38.8425      3.12531  77.8667     82.1645     0           0           
1 1 1 6  10 31 o 30.6522 4.22505 7.45915      1.92735  3.48299      1.902    2.19377     260.756     18.8369     80.7557     
1 1 1 6  10 32 f 118.817 2.6366  75.2932      4.81044  79.3321      4.82355  117.001     196.958     0           0           
1 1 1 6  10 33 o 85.4986 2.33227 42.6698      3.1996   37.4739      2.93197  58.4016     138.915     31.8512     318.915     
1 1 1 6  10 34 o 85.06   2.6272  34.8527      3.40167  44.9081      3.42394  79.976      144.935     14.6725     144.935     
1 1 1 6  10 35 f 63.8179 2.76233 22.3171      2.81255  22.5728      2.5839   33.6886     235.851     0           0           
1 1 1 6  10 36 o 37.8443 3.52951 8.28672      1.81974  7.82291      2.16061  23.0877     259.694     6.64149     79.6937     
1 1 1 6  10 37 o 56.8067 2.81471 19.0356      2.2088   16.7422      2.62628  49.7295     287.464     4.92741     287.464     
1 1 1 6  10 38 o 13.3902 4.03339 0.081036     1.41983  0.036036     1.50195  4.06171     120.895     13.8264     120.895     
1 1 1 6  10 39 o 23.8393 4.3005  2.95283      1.59601  3.7298       1.5832   12.2436     129.663     6.78787     309.663     
1 1 1 6  10 40 o 33.724  3.48552 6.12902      1.74883  6.8833       1.75975  26.5527     291.859     0.184729    111.858     
1 1 1 6  10 41 o 20.2511 4.49889 1.66229      1.59096  3.00045      1.60339  7.63383     225.261     7.51345     45.2614     
1 1 1 6  10 42 o 34.6102 3.9541  5.94499      2.10205  8.10637      1.89743  29.627      183.681     4.34796     183.681     
1 1 1 6  10 43 o 71.1162 2.57956 31.3677      3.04137  25.2787      2.59544  72.3999     176.589     21.9601     176.589     
1 1 1 6  10 44 o 19.5638 4.64177 1.48433      1.76281  2.75904      1.62436  7.87181     79.9836     12.805      259.984     
1 1 1 6  10 45 o 14.5469 4.32573 1.14322      1.69571  -0.841349    1.73957  4.14885     150.133     6.276       330.133     
1 1 1 6  10 46 o 15.947  4.47589 1.28968      1.6048   0.703279     1.6954   4.79265     44.8985     7.05619     224.898     
1 1 1 6  10 47 o 15.4181 4.48222 0.48351      1.6332   1.02776      1.78981  3.2721      38.2175     4.4349      218.218     
1 1 1 6  10 48 o 15.3542 4.42591 -0.0576803   1.74604  1.43105      1.65533  2.65273     127.679     11.0299     307.679     
1 1 1 6  10 49 o 22.8937 5.47392 3.38512      2.47124  3.5572       2.13519  15.546      121.42      0.49922     301.42      
1 1 1 6  10 50 o 35.7957 3.88638 7.68472      2.0724   8.20542      2.07321  32.7137     115.337     7.06095     115.337     
1 1 1 6  10 51 o 18.1146 5.00888 3.4008       2.16176  -1.01896     2.49462  10.4345     59.2774     4.46488     239.277     
1 1 1 6  10 52 o 22.7937 5.32096 4.42781      2.29776  3.1119       2.05982  15.707      346.157     2.98802     166.157     
1 1 1 6  10 53 o 20.2322 5.31084 3.43189      2.30901  2.42769      2.1092   14.2518     16.5135     3.71071     16.5135     
1 1 1 6  10 54 o 13.8602 4.31135 1.79638      1.99384  -2.39693     1.89093  6.53836     51.9497     1.45637     231.95      
1 1 1 6  10 55 o 14.7055 4.56117 0.761225     2.08263  0.602061     1.87564  7.58796     181.132     2.67438     1.13185     
1 1 1 6  10 56 o 19.365  5.10167 3.54103      2.09057  2.22235      2.03529  14.5025     173.94      3.94111     173.94      
1 1 1 6  10 57 o 17.2398 4.89123 1.18815      1.9831   2.95878      2.06304  10.1574     249.397     3.56347     249.396     
1 1 1 6  10 58 o 17.9202 4.9763  3.44162      2.08373  1.28724      2.08835  8.82475     270.549     2.62034     90.5491     
1 1 1 6  10 59 o 14.1183 4.44645 1.88204      2.05059  -1.35053     2.08305  2.1119      95.1802     2.94567     275.18      
1 1 1 6  10 60 f 13.173  4.26134 -1.84751     2.15888  1.52911      1.97489  5.76348     14.8469     0           0           
1 1 1 6  10 61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  11 0  f 542.068 2.19864 1600.28      18.3513  1600.28      18.3513  447.378     8.19688e-06 0           0           
1 1 1 6  11 1  o 314.71  2.15906 533.892      10.4605  545.061      10.4652  218.139     261.965     133.011     81.9647     
1 1 1 6  11 2  o 210.247 2.01452 227.854      6.50597  254.011      6.5249   139.295     292.545     89.4549     112.545     
1 1 1 6  11 3  o 481.058 2.02403 1258.53      14.9983  1262.31      14.9888  428.033     155.852     24.8245     335.852     
1 1 1 6  11 4  o 327.999 1.86513 587.6        9.42335  584.255      9.4175   307.528     350.665     23.8046     350.665     
1 1 1 6  11 5  o 346.439 1.8744  649.916      10.0003  657.435      9.9985   350.926     303.783     76.5758     303.783     
1 1 1 6  11 6  f 411.079 2.01267 931.765      12.7482  909.159      12.7316  380.698     39.1251     0           0           
1 1 1 6  11 7  f 131.344 2.09421 92.0538      4.2344   95.9064      4.2356   139.985     286.727     0           0           
1 1 1 6  11 8  o 195.628 2.0133  209.611      6.06598  207.315      6.06385  163.747     254.544     12.3788     74.5438     
1 1 1 6  11 9  o 314.555 1.90501 541.632      9.53455  536.266      8.91289  248.848     13.95       73.022      193.95      
1 1 1 6  11 10 o 299.236 1.96691 485.504      9.06055  490.025      9.06603  284.989     345.43      29.5032     345.43      
1 1 1 6  11 11 o 279.873 1.94266 427.423      8.37529  425.957      8.36937  267.481     24.7778     30.0839     24.7779     
1 1 1 6  11 12 o 246.352 1.94989 339.477      7.40312  321.873      7.38736  227.597     13.8137     12.0191     13.8137     
1 1 1 6  11 13 o 177.32  2.15446 176.364      5.8905   166.357      5.8719   168.016     91.6731     24.8026     91.6731     
1 1 1 6  11 14 o 409.408 2.14703 913.616      13.5398  913.115      13.5318  440.763     267.97      133.84      267.97      
1 1 1 6  11 15 o 208.025 1.99848 225.677      6.38524  246.142      6.41043  187.055     291.749     1.415       291.749     
1 1 1 6  11 16 o 231.813 1.9916  290.201      7.10306  295.471      7.11531  225.314     210.388     33.2589     210.388     
1 1 1 6  11 17 o 56.3497 2.37692 20.9607      2.08402  14.1238      1.97917  17.6297     45.4212     21.6355     225.421     
1 1 1 6  11 18 o 234.97  1.89167 299.235      6.84753  302.512      6.84142  217.987     134.412     11.506      134.412     
1 1 1 6  11 19 o 213.791 2.01128 249.934      6.61889  248.318      6.62391  224.098     28.4438     65.1275     28.4438     
1 1 1 6  11 20 o 36.0707 2.93515 6.2596       1.58922  8.19832      1.58302  9.83585     90.404      44.4937     90.404      
1 1 1 6  11 21 o 202.346 2.02741 230.879      6.3183   215.669      6.31088  219.314     56.4743     78.6336     56.4743     
1 1 1 6  11 22 o 292.249 2.02913 463.106      9.1305   468.216      9.13273  296.558     99.6676     65.16       99.6676     
1 1 1 6  11 23 o 143.643 1.9785  109.043      4.36881  115.998      4.38106  80.7407     18.6626     93.5406     198.663     
1 1 1 6  11 24 o 113.696 2.0329  71.9928      3.56112  69.0448      3.55316  107.157     189.19      19.528      189.19      
1 1 1 6  11 25 o 241.563 1.91935 319.35       7.1388   316.97       7.14034  260.73      239.608     87.0789     239.608     
1 1 1 6  11 26 o 113.544 2.07591 73.6241      3.63419  67.1307      3.61654  86.4916     313.49      25.5819     133.49      
1 1 1 6  11 27 o 132.474 2.02463 96.089       4.12073  95.3428      4.13943  111.199     339.751     10.8847     159.751     
1 1 1 6  11 28 o 40.5913 3.07233 8.51585      1.89069  9.72995      1.88172  8.82927     62.1251     28.3605     242.125     
1 1 1 6  11 29 o 131.973 2.04126 91.4406      4.14626  98.6909      4.14585  124.641     261.175     17.6338     261.175     
1 1 1 6  11 30 o 61.0122 3.00376 22.1168      2.81683  18.8922      2.78071  30.8827     183.999     39.3397     3.99912     
1 1 1 6  11 31 o 153.917 2.54504 133.275      6.03022  125.894      6.03037  151.908     316.476     30.5741     316.476     
1 1 1 6  11 32 o 143.369 2.37738 110.982      5.6547   113.937      4.78842  138.227     42.2705     22.9546     42.2705     
1 1 1 6  11 33 o 56.3488 3.31413 17.3465      2.6949   17.8248      2.9993   30.892      50.5079     30.8744     230.508     
1 1 1 6  11 34 o 51.678  3.35941 16.6667      2.63291  13.1259      2.62165  15.4558     2.60876     54.8916     182.609     
1 1 1 6  11 35 o 29.3354 3.90488 5.76876      1.69644  4.1378       1.69111  8.37873     357.488     17.6842     177.488     
1 1 1 6  11 36 o 160.07  2.00212 141.519      4.93513  139.235      4.9347   152.035     6.22405     20.9024     6.22406     
1 1 1 6  11 37 o 56.172  2.55735 17.9484      2.19227  16.9735      2.20648  38.2496     319.469     19.3205     139.469     
1 1 1 6  11 38 o 72.0861 2.3395  28.3618      2.59076  29.0163      2.589    57.0589     2.18254     11.3999     182.183     
1 1 1 6  11 39 o 66.9272 2.40528 25.1879      2.47844  24.4096      2.46282  62.484      229.524     9.47216     229.524     
1 1 1 6  11 40 o 28.3426 4.50769 5.0675       2.02796  4.51301      1.81237  12.4591     29.1039     19.7301     209.104     
1 1 1 6  11 41 o 28.0594 4.34688 4.49489      1.68858  4.90546      1.96419  19.1695     192.882     3.79418     12.8819     
1 1 1 6  11 42 o 15.4884 4.17449 -1.45802     1.53194  2.32345      1.67511  1.85031     343.971     5.5608      163.971     
1 1 1 6  11 43 o 37.6733 3.44018 9.63806      1.96002  6.84774      1.89446  35.1684     141.334     8.31289     141.334     
1 1 1 6  11 44 o 19.5171 4.64705 1.50125      1.75856  2.77407      1.63406  12.4518     294.466     3.42257     294.466     
1 1 1 6  11 45 o 52.8084 3.11116 17.907       2.57298  14.2009      2.42778  56.5149     223.915     23.9489     223.915     
1 1 1 6  11 46 o 35.4827 4.01021 7.79591      2.14012  7.39423      2.09459  31.0721     342.72      4.83099     342.72      
1 1 1 6  11 47 o 24.5836 4.79863 3.83228      1.80643  3.87814      1.94715  13.5521     81.4454     10.1278     261.445     
1 1 1 6  11 48 o 47.1644 3.75929 13.1589      2.54521  13.5837      2.81456  41.6876     311.505     4.59461     311.505     
1 1 1 6  11 49 o 17.0069 4.7122  1.97897      1.81457  0.895802     1.82738  3.92514     113.719     15.8207     293.719     
1 1 1 6  11 50 o 15.3409 4.82222 0.0704159    2.20227  0.290966     2.36543  6.30532     307.373     1.52924     127.373     
1 1 1 6  11 51 o 16.4361 4.9693  1.29865      1.90615  0.461111     2.6514   8.43041     126.633     0.893395    126.633     
1 1 1 6  11 52 o 28.8425 5.31658 5.09738      2.25389  7.12971      2.54127  24.0192     256.224     3.24675     256.224     
1 1 1 6  11 53 o 13.8246 4.32122 1.47327      1.96785  -1.78348     1.86339  5.01895     324.494     0.965381    144.494     
1 1 1 6  11 54 o 20.4957 4.97745 4.05253      1.94977  2.14718      1.98616  12.6364     160.712     6.07046     340.712     
1 1 1 6  11 55 o 28.7517 4.82097 4.86421      2.12257  7.49035      2.14309  23.3735     259.241     1.17427     259.241     
1 1 1 6  11 56 o 12.4801 4.09327 -0.391484    1.85702  -0.479958    1.90091  2.78919     92.3226     9.09685     272.323     
1 1 1 6  11 57 o 24.7839 5.40238 5.8858       2.37127  4.57272      2.17459  20.7193     80.8557     6.27598     80.8557     
1 1 1 6  11 58 o 16.8069 4.99028 2.55403      2.30469  1.38392      2.07103  5.13341     41.9818     7.71588     221.982     
1 1 1 6  11 59 o 14.3764 4.6161  0.305054     2.17629  1.24121      2.27442  2.77642     175.484     1.09148     355.484     
1 1 1 6  11 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  12 0  o 122.951 2.25821 82.4953      4.26898  82.4953      4.26898  51.6007     180         31.1357     180         
1 1 1 6  12 1  o 158.436 2.20577 132.669      5.37099  140.893      5.38892  133.655     177.261     3.82242     177.261     
1 1 1 6  12 2  o 282.755 1.99344 438.55       8.68118  432.466      8.67781  213.854     147.813     81.7208     327.812     
1 1 1 6  12 3  o 137.739 2.05332 108.28       4.35695  98.5303      4.34656  91.7834     263.429     43.848      83.4291     
1 1 1 6  12 4  o 85.7262 2.2616  34.9753      2.8572   45.5628      3.09019  32.0397     156.884     20.9444     336.884     
1 1 1 6  12 5  o 19.344  4.19552 2.22446      1.36924  1.85087      1.37424  46.6414     76.5644     98.5028     76.5644     
1 1 1 6  12 6  o 272.156 2.07901 409.071      8.37435  397.989      9.02889  267.706     300.023     47.6676     300.023     
1 1 1 6  12 7  o 287.212 2.16469 457.846      9.55968  441.089      9.58503  288.666     228.515     60.627      228.515     
1 1 1 6  12 8  o 145.872 1.97325 122.417      4.2846   109.601      4.55135  118.201     46.0934     12.238      226.093     
1 1 1 6  12 9  o 283.997 2.08982 445.845      8.0084   433.075      10.1158  258.907     207.174     4.41901     207.174     
1 1 1 6  12 10 o 284.628 2.04157 441.372      8.94703  441.425      8.94925  241.742     152.147     31.8146     332.147     
1 1 1 6  12 11 o 97.6587 1.97345 52.8699      2.96892  51.1484      2.96001  77.3191     53.8737     9.22863     53.8737     
1 1 1 6  12 12 o 329.747 2.55075 577.888      13.6296  607.873      12.1917  218.221     192.326     163.928     12.3264     
1 1 1 6  12 13 o 177.4   2.24713 175.804      6.17098  167.311      6.10491  166.019     340.851     18.8295     340.851     
1 1 1 6  12 14 o 104.915 2.08222 57.5022      3.34709  62.6241      3.37053  94.3703     189.239     19.8478     189.239     
1 1 1 6  12 15 f 57.2198 2.3579  19.1028      2.05812  16.7577      2.07108  17.4785     257.453     0           0           
1 1 1 6  12 16 o 270.42  1.90094 394.555      8.16139  402.494      7.65655  233.761     291.948     21.7649     111.948     
1 1 1 6  12 17 o 148.603 1.92085 120.682      4.39128  120.023      4.39972  129.273     209.535     2.18416     29.5349     
1 1 1 6  12 18 o 150.47  1.97557 128.451      4.7166   118.477      4.43991  136.119     342.763     8.74771     342.763     
1 1 1 6  12 19 o 260.282 1.99851 366.4        8.00956  372.24       8.01036  310.529     68.4029     155.444     68.4029     
1 1 1 6  12 20 o 94.376  2.15493 45.5398      3.11185  51.7989      3.13497  83.8051     234.205     19.3576     234.205     
1 1 1 6  12 21 o 74.6628 2.49119 33.5479      2.844    27.5677      2.8465   39.2905     274.114     40.2641     94.1136     
1 1 1 6  12 22 o 100.039 2.1123  54.5748      3.15608  54.6769      3.34206  66.7853     22.359      37.3373     202.359     
1 1 1 6  12 23 o 74.4726 2.22087 32.9089      2.54702  27.8126      2.52338  37.8963     274.676     47.7977     94.6765     
1 1 1 6  12 24 o 164.846 1.96573 151.76       4.99563  144.642      4.98229  165.32      266.819     38.6241     266.819     
1 1 1 6  12 25 o 143.569 2.00118 116.656      4.42408  108.238      4.41983  143.139     283.237     34.3042     283.237     
1 1 1 6  12 26 f 315.372 1.92137 543.173      9.32886  541.627      9.33288  246.617     260.928     0           0           
1 1 1 6  12 27 o 59.4275 2.49746 18.7708      2.2723   19.948       2.27648  26.9039     33.6015     40.4778     213.602     
1 1 1 6  12 28 o 58.23   2.53679 17.4132      2.24767  19.8142      2.27371  45.875      290.913     7.00096     290.913     
1 1 1 6  12 29 o 66.9103 2.6154  24.8759      2.68307  24.2311      2.68508  46.0204     234.321     19.34       54.321      
1 1 1 6  12 30 o 59.4424 3.01281 18.6944      2.41612  20.2419      3.04642  53.9905     81.2108     14.6563     81.2108     
1 1 1 6  12 31 o 22.5471 4.70465 0.128806     1.78887  5.21066      2.22438  1.91776     267.774     11.3949     267.774     
1 1 1 6  12 32 o 72.4077 2.74072 30.1989      3.03697  27.5045      3.04675  62.0759     56.5986     3.43019     56.5985     
1 1 1 6  12 33 o 12.6927 3.96927 -0.441756    1.5151   -0.475937    1.54235  24.2231     327.502     57.1452     327.502     
1 1 1 6  12 34 o 44.8418 3.40418 12.0386      2.16721  10.4641      2.41876  31.9964     132.368     4.80197     312.368     
1 1 1 6  12 35 o 67.4602 2.60668 24.1493      2.89353  26.1006      2.4615   76.8402     38.2154     42.9342     38.2154     
1 1 1 6  12 36 o 74.9606 2.58114 27.3007      3.13345  35.0232      2.6957   77.7926     20.5074     27.2023     20.5074     
1 1 1 6  12 37 o 18.276  4.54331 -0.157864    2.06265  2.61702      1.51895  9.0286      276.635     44.7238     276.635     
1 1 1 6  12 38 o 10.4288 3.43922 -1.72199     1.35954  -0.8131      1.36956  5.89416     322.268     17.4052     322.268     
1 1 1 6  12 39 o 49.7128 2.75327 13.4346      2.08313  14.2088      2.09765  44.4726     273.509     5.37677     273.509     
1 1 1 6  12 40 o 55.3079 2.62897 18.5816      2.22208  15.6572      2.21671  49.2447     227.534     4.51666     227.534     
1 1 1 6  12 41 o 16.6874 4.45202 1.28019      1.55824  1.27077      1.56441  0.92738     296.512     23.6289     296.512     
1 1 1 6  12 42 o 57.8559 2.74808 17.743       2.4163   19.9238      2.44682  49.3793     76.5836     0.342516    256.583     
1 1 1 6  12 43 o 36.8641 3.7739  7.80556      2.13438  8.14702      2.01929  26.3869     87.4869     9.07034     267.487     
1 1 1 6  12 44 o 45.8352 3.14848 12.7196      2.10909  11.4638      2.25977  40.5501     126.628     4.01388     126.628     
1 1 1 6  12 45 o 16.089  4.54861 1.95625      1.74391  -0.705777    1.95454  4.42303     287.646     6.15478     107.646     
1 1 1 6  12 46 o 18.5718 4.85852 1.85212      1.69686  1.92803      1.98928  7.15765     255.155     9.05844     75.1551     
1 1 1 6  12 47 o 43.3004 3.7368  10.5368      2.44489  11.9757      2.42134  40.4613     60.852      9.68588     60.852      
1 1 1 6  12 48 o 37.6983 3.89891 7.53045      2.0701   10.0432      2.31507  37.9699     25.5513     15.4232     25.5513     
1 1 1 6  12 49 o 53.0852 3.37123 16.8822      2.84104  17.0084      2.60226  50.0637     342.971     10.9421     342.971     
1 1 1 6  12 50 o 18.3867 5.32197 3.18942      2.68547  0.461754     2.18943  11.6404     316.487     3.91038     316.487     
1 1 1 6  12 51 o 15.256  4.57    0.778622     1.81934  0.921504     1.89575  5.18891     51.0072     8.5714      231.007     
1 1 1 6  12 52 o 19.8735 4.8802  1.51175      1.92982  3.8894       1.92646  13.8418     241.881     6.72105     241.881     
1 1 1 6  12 53 o 26.1283 5.41402 6.0618       2.27171  4.62308      2.44647  15.4987     256.769     10.868      76.7687     
1 1 1 6  12 54 o 19.4766 5.18421 2.82402      2.16101  2.96941      2.07208  12.6009     342.55      7.17089     342.55      
1 1 1 6  12 55 o 21.8796 5.12127 5.09691      2.05739  2.43649      2.26657  17.7878     254.881     4.55794     254.881     
1 1 1 6  12 56 o 14.1953 4.50555 0.323997     1.91235  0.721371     2.17302  5.4282      104.424     2.80581     284.424     
1 1 1 6  12 57 o 13.2366 4.27908 -0.318493    1.95345  0.347225     1.95812  0.465257    144.211     11.4613     324.211     
1 1 1 6  12 58 o 14.007  4.4341  -0.649861    1.99481  1.61274      2.04517  1.9071      252.199     1.82961     72.1991     
1 1 1 6  12 59 o 17.9773 5.10054 1.97594      2.25309  3.80854      2.18164  9.85903     13.7652     5.06548     193.765     
1 1 1 6  12 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  13 0  o 71.2464 2.12323 27.7934      2.32     27.7934      2.32     29.8657     180         42.9515     2.2889e-05  
1 1 1 6  13 1  o 145.338 1.99378 107.169      4.58038  123.275      4.30395  36.1079     173.504     183.85      353.504     
1 1 1 6  13 2  o 106.772 2.19969 65.3667      3.47873  59.0567      3.72304  86.6597     106.016     9.94871     106.016     
1 1 1 6  13 3  o 18.5388 3.95429 2.83257      1.3137   0.727719     1.31972  12.9788     175.577     27.9139     175.577     
1 1 1 6  13 4  o 136.216 2.20888 108.941      4.63515  93.5684      4.61304  92.6671     74.3856     48.505      254.386     
1 1 1 6  13 5  o 192.991 2.28843 197.12       7.09572  208.916      6.46891  199.973     222.106     61.9675     222.106     
1 1 1 6  13 6  o 307.317 1.99729 512.158      9.4523   517.008      9.45121  303.758     35.4958     52.8827     35.4958     
1 1 1 6  13 7  o 141.004 2.0394  113.08       4.43012  103.692      4.42034  137.615     287.948     37.6385     287.948     
1 1 1 6  13 8  o 260.555 2.15596 381.243      9.39275  358.875      7.88126  340.245     79.8679     219.562     79.8679     
1 1 1 6  13 9  o 171.178 2.26921 155.187      5.96449  164.303      5.99575  170.936     273.35      43.1191     273.35      
1 1 1 6  13 10 o 51.9109 3.41404 13.258       2.66044  16.5067      2.71268  5.9621      278.629     15.6721     98.6293     
1 1 1 6  13 11 o 147.465 2.46119 117.921      5.58886  119.215      5.58875  112.151     11.8537     34.1162     191.854     
1 1 1 6  13 12 o 219.252 2.71358 257.682      9.15385  266.778      9.16767  183.58      328.164     26.1191     148.164     
1 1 1 6  13 13 o 260.803 2.563   374.689      9.6826   367.259      10.8574  249.54      68.7296     29.7761     68.7296     
1 1 1 6  13 14 o 331.439 2.40198 599.174      12.2577  598.904      12.2608  320.234     58.0141     41.4177     58.0141     
1 1 1 6  13 15 o 44.4266 2.7491  7.69951      1.66853  14.5511      1.99365  0.117383    154.038     40.1044     334.039     
1 1 1 6  13 16 o 66.8384 2.20704 22.6445      2.08684  26.2459      2.44675  32.1987     38.0436     31.7724     218.044     
1 1 1 6  13 17 o 43.7119 2.46758 8.37825      1.61177  12.8416      1.62227  5.11547     304.108     56.6099     304.108     
1 1 1 6  13 18 f 277.465 1.89312 427.82       8.34443  411.578      7.83237  194.562     158.548     0           0           
1 1 1 6  13 19 o 180.235 2.00961 175.695      5.57385  178.537      5.58095  178.256     127.769     38.5702     127.769     
1 1 1 6  13 20 o 90.9124 2.16556 42.7932      3.01816  47.5244      3.03083  70.407      114.87      9.41145     294.87      
1 1 1 6  13 21 o 80.4379 2.26511 32.1212      2.77818  38.739       2.80559  52.0408     80.2045     29.0721     260.204     
1 1 1 6  13 22 o 148.586 1.97299 122.473      4.52436  118.323      4.50359  126.234     155.006     9.74066     335.006     
1 1 1 6  13 23 o 51.8408 2.55728 13.9371      2.00566  15.5695      2.04886  22.167      126.61      31.0282     306.61      
1 1 1 6  13 24 o 164.022 1.97244 147.532      4.97822  145.916      4.98544  175.115     167.724     62.1468     167.724     
1 1 1 6  13 25 o 65.4525 2.39087 24.9801      2.38748  21.968       2.40654  25.3339     214.353     56.3215     34.3531     
1 1 1 6  13 26 o 95.0171 2.25453 49.5265      3.16747  49.1513      3.41489  100.615     284.287     44.163      284.287     
1 1 1 6  13 27 o 222.334 2.18936 273.762      7.15008  266.017      7.81561  200.94      278.412     6.17931     278.412     
1 1 1 6  13 28 o 123.099 2.21525 80.4952      4.18798  85.1344      4.20464  101.826     189.042     12.4186     9.04185     
1 1 1 6  13 29 o 128.783 2.11684 92.5549      4.07213  88.6775      4.31358  152.039     235.09      80.6967     235.09      
1 1 1 6  13 30 o 93.7804 2.55324 49.0983      3.29701  47.3699      4.0129   54.8615     207.383     53.0557     27.3829     
1 1 1 6  13 31 o 62.3666 2.68829 22.1437      2.5795   20.6946      2.55786  26.5146     194.758     51.6464     14.7585     
1 1 1 6  13 32 o 148.001 2.25349 125.367      5.35327  114.721      4.92089  148.597     293.38      37.7784     293.38      
1 1 1 6  13 33 o 33.3441 4.49295 6.12856      2.37135  6.69716      2.06037  16.337      66.0284     0.152165    66.0284     
1 1 1 6  13 34 f 53.2535 2.86523 17.457       2.54996  14.1029      2.12016  56.0711     232.232     0           0           
1 1 1 6  13 35 o 86.7844 2.48108 43.8885      3.20974  39.2907      3.38708  64.3453     212.358     22.2225     32.3582     
1 1 1 6  13 36 o 57.5725 2.88877 19.2043      2.63659  17.7528      2.45318  68.6091     95.9035     42.3239     95.9035     
1 1 1 6  13 37 o 33.7277 3.50448 6.87629      1.75035  6.14512      1.77462  11.5708     261.274     32.3403     81.2743     
1 1 1 6  13 38 f 54.5303 2.71851 15.6632      2.21381  17.5735      2.32154  54.3911     327.583     0           0           
1 1 1 6  13 39 o 27.216  4.50119 5.06783      1.86995  3.84468      1.84843  6.16974     168.267     30.9999     348.267     
1 1 1 6  13 40 o 54.1594 3.0337  17.2064      2.58385  15.9328      2.43575  40.9945     280.194     10.0416     100.194     
1 1 1 6  13 41 o 66.021  2.55706 25.6326      2.68385  23.164       2.49669  57.7457     246.906     2.22176     246.906     
1 1 1 6  13 42 o 64.5906 2.69628 22.3892      2.69794  24.6132      2.63276  48.5075     202.144     14.0609     22.1435     
1 1 1 6  13 43 o 33.1584 3.9103  6.68968      1.93584  6.43678      1.91666  23.3007     175.082     7.57714     355.082     
1 1 1 6  13 44 f 22.6603 4.56553 1.95615      1.73093  4.4193       1.76844  24.5417     152.73      0           0           
1 1 1 6  13 45 o 21.4031 5.01099 2.84035      1.89529  2.84896      1.95081  11.3104     262.911     6.58327     82.9108     
1 1 1 6  13 46 o 21.6012 4.73223 -1.08977     2.21345  5.64189      2.22174  11.8753     122.573     6.33927     302.573     
1 1 1 6  13 47 o 14.518  4.39733 0.343415     1.7299   0.480009     1.77762  1.7479      14.4466     1.59398     194.447     
1 1 1 6  13 48 o 23.4864 4.98338 3.60941      1.8832   3.9314       2.00803  17.0308     218.188     0.747006    38.1882     
1 1 1 6  13 49 o 26.4153 5.73314 5.30333      2.36174  5.09785      2.78444  23.1518     94.9556     6.14884     94.9556     
1 1 1 6  13 50 o 11.8201 3.91872 -1.22067     1.71417  -1.01285     1.87446  1.46368     110.513     5.72724     290.513     
1 1 1 6  13 51 o 16.7907 4.63345 -0.183935    1.93015  2.85794      1.86239  9.15357     218.51      0.498659    38.5098     
1 1 1 6  13 52 o 19.1656 5.10368 2.72074      2.0467   2.55324      2.05399  14.9106     240.47      3.60952     240.47      
1 1 1 6  13 53 o 18.8123 5.08721 1.97279      1.9744   3.223        2.16212  12.5265     268.803     1.40903     88.8034     
1 1 1 6  13 54 o 16.717  4.96798 0.374372     2.10602  2.86364      2.33574  9.50485     135.674     2.08534     315.674     
1 1 1 6  13 55 o 17.769  5.11706 2.71398      2.2994   2.01044      2.10524  11.0707     218.442     3.55242     218.442     
1 1 1 6  13 56 o 15.515  4.76638 0.154846     2.0071   2.25279      2.27882  4.32045     54.6417     8.34609     234.642     
1 1 1 6  13 57 o 17.6116 5.01388 1.99176      2.07457  2.82923      2.11793  5.19346     201.73      0.296454    201.73      
1 1 1 6  13 58 o 13.2026 4.30989 -0.359387    1.99471  0.791382     2.10713  3.23853     84.8465     2.35837     264.847     
1 1 1 6  13 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  14 0  o 138.365 2.05111 104.418      4.36588  104.418      4.36588  128.737     180         5.41547     180         
1 1 1 6  14 1  o 240.968 1.99809 303.479      7.39906  329.627      7.42068  217.019     151.105     3.1133      151.105     
1 1 1 6  14 2  o 298.945 1.99548 469.622      9.17191  504.688      9.19198  307.021     137.564     76.8608     137.564     
1 1 1 6  14 3  o 255.418 2.00224 343.711      7.86954  367.511      7.8742   236.999     183.304     16.3997     183.304     
1 1 1 6  14 4  o 316.286 2.01782 547.871      10.5043  542.46       9.108    298.74      170.909     27.5237     170.909     
1 1 1 6  14 5  o 303.811 2.00286 511.433      9.37625  494.648      9.36222  291.507     62.2029     36.1177     62.2029     
1 1 1 6  14 6  o 230.363 2.00437 302.717      7.11566  275.999      7.09431  245.053     296.684     80.2258     296.684     
1 1 1 6  14 7  o 62.6397 2.31559 20.7158      2.2212   22.1959      2.22863  14.8895     77.262      1.87949     77.262      
1 1 1 6  14 8  o 167.309 2.77977 160.998      6.77605  144.728      7.47065  181.01      315.599     70.7878     315.599     
1 1 1 6  14 9  o 249.72  2.89929 338.783      10.2931  341.778      11.9498  242.245     320.371     37.4811     320.371     
1 1 1 6  14 10 o 15.2254 4.31306 0.795221     1.52217  0.378559     1.55982  48.7093     355.19      104.711     355.19      
1 1 1 6  14 11 o 195.051 2.73524 211.32       8.22147  203.865      8.20776  152.195     294.729     42.4372     114.73      
1 1 1 6  14 12 o 144.286 2.81233 118.228      6.25209  109.259      6.22673  153.394     224.401     60.7093     224.401     
1 1 1 6  14 13 f 123.259 2.69207 81.4385      5.36741  84.541       4.81231  135.348     69.6735     0           0           
1 1 1 6  14 14 o 62.254  2.84462 20.501       2.81296  21.9992      2.59623  4.1826      313.87      106.046     313.87      
1 1 1 6  14 15 o 128.739 2.31262 92.677       4.5845   88.2066      4.57877  104.511     349.215     11.6186     169.215     
1 1 1 6  14 16 o 125.107 2.3326  92.4146      4.49887  78.6835      4.46446  107.477     153.684     1.17866     153.684     
1 1 1 6  14 17 o 137.48  2.39922 102.847      5.27775  103.462      4.86637  120.321     218.473     2.40581     218.473     
1 1 1 6  14 18 o 30.1878 3.82213 8.98158      1.99528  2.22973      1.44351  32.0032     42.5744     99.4347     42.5744     
1 1 1 6  14 19 o 92.8855 2.14107 44.605       3.08045  49.6772      3.02625  62.1227     125.475     33.2372     305.475     
1 1 1 6  14 20 o 167.055 2.00641 154.648      5.17117  149.746      5.15095  150.33      316.993     5.77541     316.993     
1 1 1 6  14 21 o 19.5271 4.26732 2.3297       1.39351  1.8208       1.44601  9.79479     307.862     25.0069     307.862     
1 1 1 6  14 22 o 87.5525 2.15191 44.1264      2.89519  39.6704      2.89232  61.1991     16.5851     24.7325     196.585     
1 1 1 6  14 23 o 14.7139 4.31887 0.457169     1.37633  0.0881711    1.84938  20.3296     9.43561     45.7927     9.43561     
1 1 1 6  14 24 o 90.1209 2.26106 44.3113      2.99719  44.4683      3.26317  67.7047     36.732      16.7673     216.732     
1 1 1 6  14 25 o 123.673 2.06305 83.9647      3.93141  82.9767      3.92637  98.8239     129.592     17.9408     309.592     
1 1 1 6  14 26 o 84.9414 2.37418 39.3315      3.09541  39.6376      3.10321  73.2336     268.744     2.58871     268.744     
1 1 1 6  14 27 o 88.9092 2.38946 42.1092      3.26635  44.4617      3.26262  94.9317     243.748     40.5006     243.748     
1 1 1 6  14 28 o 73.7665 2.31823 28.93        2.62089  30.7165      2.63108  64.6746     146.582     6.78473     146.582     
1 1 1 6  14 29 o 15.8932 4.31861 1.66996      1.53436  -0.216908    1.60727  15.3054     78.8699     39.7533     78.8699     
1 1 1 6  14 30 o 165.416 2.34636 152.839      6.51628  146.971      5.4044   180.018     91.0531     70.7491     91.0531     
1 1 1 6  14 31 o 94.5956 2.41309 48.7251      3.68338  49.5592      3.32212  88.9501     196.67      15.7891     196.67      
1 1 1 6  14 32 f 99.8405 2.37658 52.8596      3.52844  56.7499      3.76992  89.8892     3.61549     0           0           
1 1 1 6  14 33 o 90.6651 2.25025 47.0039      3.24348  43.4394      3.03125  97.0163     115.764     38.5689     115.764     
1 1 1 6  14 34 o 102.74  2.27306 57.7191      3.58755  58.5354      3.59589  93.4557     351.807     8.30455     351.807     
1 1 1 6  14 35 o 33.1775 3.62787 6.41671      1.72449  6.19671      1.85704  19.9075     270.2       12.9968     90.2002     
1 1 1 6  14 36 o 34.1937 4.0723  7.84694      1.85184  5.79424      2.19698  21.8791     313.377     10.8494     133.377     
1 1 1 6  14 37 o 19.5549 4.75206 3.14821      1.89628  0.814788     1.73401  3.73457     116.954     17.6572     296.954     
1 1 1 6  14 38 o 59.6995 2.55987 21.1854      2.33288  18.6145      2.34273  47.8455     184.109     5.86724     4.10912     
1 1 1 6  14 39 o 14.8424 4.22123 0.105625     1.47996  1.17234      1.52478  1.16769     21.5592     6.83636     201.559     
1 1 1 6  14 40 o 14.9141 4.13248 1.80415      1.52669  -0.865871    1.51962  3.26477     314.954     6.50659     134.954     
1 1 1 6  14 41 f 14.7782 4.22558 -0.239758    1.51443  1.36917      1.56963  9.42005     225.522     0           0           
1 1 1 6  14 42 f 55.6464 2.90276 16.8069      2.31619  18.4895      2.62388  35.4481     248.288     0           0           
1 1 1 6  14 43 o 27.1498 4.48394 4.81705      1.84716  4.38357      1.83551  21.4014     87.2662     2.71725     87.2662     
1 1 1 6  14 44 o 16.5078 4.60888 2.22779      1.95146  -0.108699    1.6483   2.897       243.389     1.44493     63.3887     
1 1 1 6  14 45 o 35.8478 4.52085 10.2017      2.65872  6.16261      2.15522  28.2921     144.326     0.970081    324.326     
1 1 1 6  14 46 f 45.5141 3.90522 13.4147      2.78584  11.9519      2.57762  35.2324     253.288     0           0           
1 1 1 6  14 47 o 36.9151 4.00925 7.236        2.09338  9.93921      2.30374  31.4514     277.22      2.85598     277.22      
1 1 1 6  14 48 o 15.0809 4.67459 0.0677681    2.09617  0.678015     2.06997  6.9943      232.065     3.95812     52.0654     
1 1 1 6  14 49 o 13.1323 4.10866 -2.13617     1.77175  1.1352       1.76219  2.51961     202.018     2.0878      22.0179     
1 1 1 6  14 50 o 14.5113 4.39106 1.53786      1.8233   -0.638861    1.81392  4.06429     117.876     0.909294    297.876     
1 1 1 6  14 51 o 15.0383 4.49327 -0.297957    1.8419   1.85635      1.8758   7.16434     18.3973     5.68828     198.397     
1 1 1 6  14 52 o 16.3323 4.81248 1.84459      1.97413  1.10192      2.07101  5.49091     134.174     2.53889     134.174     
1 1 1 6  14 53 o 9.84532 3.44079 -3.1684      1.78688  -2.99319     2.00649  0.000353067 52.5729     7.91506     52.5644     
1 1 1 6  14 54 o 29.4166 5.42934 6.11419      2.29375  8.13694      2.68689  23.4189     159.633     0.977271    159.633     
1 1 1 6  14 55 o 21.2037 5.50907 4.64201      2.34173  3.25491      2.47499  12.9714     211.107     2.50715     31.1068     
1 1 1 6  14 56 o 13.4136 4.37071 -0.520948    2.13619  0.41592      2.06985  1.04071     334.977     3.71999     154.977     
1 1 1 6  14 57 o 12.764  4.21305 -0.209167    2.00569  -0.0245275   2.07405  2.06694     130.747     2.75573     310.747     
1 1 1 6  14 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  15 0  o 92.3471 2.32151 46.6395      3.29181  46.6395      3.29181  12.259      8.64574e-06 191.68      8.64575e-06 
1 1 1 6  15 1  o 219.393 2.14487 261.826      7.24501  262.951      7.24746  229.746     312.566     71.3243     312.566     
1 1 1 6  15 2  o 77.53   2.2688  30.1504      2.83312  35.6202      2.52224  55.7702     134.609     22.2138     134.609     
1 1 1 6  15 3  o 141.575 1.98954 105.237      4.45476  113.326      4.20251  107.521     36.8587     30.7969     216.859     
1 1 1 6  15 4  o 143.015 1.92314 106.877      4.23063  116.163      4.23458  87.15       125.392     75.6857     305.392     
1 1 1 6  15 5  o 112.673 2.02163 73.0865      3.63583  65.46        3.37793  98.0869     75.7655     8.85124     75.7655     
1 1 1 6  15 6  o 212.611 1.88597 245.802      6.17688  246.92       6.17227  180.975     219.895     15.2819     39.8951     
1 1 1 6  15 7  o 149.993 2.09708 124.502      5.31359  120.811      4.33819  141.019     120.684     23.1341     120.684     
1 1 1 6  15 8  o 175.777 2.58196 168.803      7.37905  168.333      6.57636  205.569     213.61      108.416     213.61      
1 1 1 6  15 9  o 192.054 2.4943  198.005      8.05985  204.446      6.59512  218.488     324.664     102.534     324.664     
1 1 1 6  15 10 o 284.994 2.47335 436.871      11.9003  449.345      9.65841  246.267     355.311     16.4471     175.311     
1 1 1 6  15 11 o 76.5733 2.98259 30.0812      3.66688  34.2148      3.29236  12.8946     45.3221     98.9566     225.322     
1 1 1 6  15 12 o 84.019  2.72067 35.1697      3.45578  42.2161      3.55105  53.3815     282.644     26.6831     102.644     
1 1 1 6  15 13 o 142.71  2.29611 106.737      5.03358  115.531      5.053    133.26      334.193     20.8376     334.193     
1 1 1 6  15 14 o 48.7661 3.14521 15.1164      2.33217  11.2326      2.29968  12.1419     146.192     96.606      146.192     
1 1 1 6  15 15 f 42.8736 3.73042 8.34379      2.4592   12.2691      2.21328  42.0017     312.969     0           0           
1 1 1 6  15 16 o 171.111 2.38189 151.195      6.48069  168.558      6.02428  142.483     69.1704     16.4301     249.17      
1 1 1 6  15 17 o 197.061 2.36633 204.816      7.44524  219.099      6.87952  189         40.9607     29.6988     40.9607     
1 1 1 6  15 18 o 52.1291 3.34038 17.3802      2.63271  12.7657      2.61887  1.45363     153.737     85.4835     153.737     
1 1 1 6  15 19 o 276.757 2.43192 410.918      10.3452  425.259      10.3815  264.489     25.9194     37.0396     25.9194     
1 1 1 6  15 20 o 189.487 2.47494 196.145      7.21242  195.899      7.23076  204.634     352.036     76.9424     352.036     
1 1 1 6  15 21 o 121.705 2.15691 84.2241      3.96486  77.5484      4.10361  106.603     291.857     4.06335     291.857     
1 1 1 6  15 22 o 129.952 2.07064 97.6972      3.98377  86.7575      4.27036  131.904     275.188     40.187      275.188     
1 1 1 6  15 23 o 97.8115 2.14098 48.4222      3.20292  56.2661      3.22664  70.972      41.0431     25.5424     221.043     
1 1 1 6  15 24 o 39.6677 3.26963 7.91623      2.00452  9.60468      1.87964  18.6147     73.9331     3.25034     253.933     
1 1 1 6  15 25 o 94.9943 2.30822 48.7885      3.35713  49.9645      3.38573  74.0908     305.592     15.1124     125.592     
1 1 1 6  15 26 o 100.28  2.30496 60.3826      3.56959  49.9502      3.51975  106.778     155.363     43.5244     155.363     
1 1 1 6  15 27 o 65.4472 2.78094 22.1172      2.90787  25.0699      2.63753  45.9876     4.65746     15.61       184.657     
1 1 1 6  15 28 o 174.076 2.26399 155.847      6.03978  176.227      6.08308  172.988     105.901     41.7326     105.901     
1 1 1 6  15 29 o 63.2826 2.78727 22.8673      2.69206  21.33        2.70988  46.5567     62.1576     11.1653     242.158     
1 1 1 6  15 30 o 37.6742 3.23692 6.41123      1.79405  9.65415      1.81553  22.7245     123.264     7.4025      303.264     
1 1 1 6  15 31 o 61.8282 2.64273 21.0381      2.50954  21.2057      2.49909  54.2629     70.5349     5.93482     70.5349     
1 1 1 6  15 32 o 53.4582 2.67386 16.7991      2.22843  14.9175      2.14357  27.1085     92.6637     35.9579     272.664     
1 1 1 6  15 33 o 32.6378 3.75277 6.74475      1.91051  5.51521      1.73263  26.3888     207.231     4.43205     207.231     
1 1 1 6  15 34 o 21.5116 4.49809 3.11948      1.65028  2.27278      1.55462  7.18        171.521     12.9684     351.521     
1 1 1 6  15 35 o 60.2923 2.69208 17.7745      2.45405  22.8913      2.49122  57.9253     191.737     14.2464     191.737     
1 1 1 6  15 36 o 20.1039 4.54421 2.70508      1.55704  1.88696      1.65828  7.32118     168.109     6.31285     348.109     
1 1 1 6  15 37 o 68.1413 2.56355 27.8115      2.54545  24.0325      2.77895  52.1801     230.013     11.9049     50.0127     
1 1 1 6  15 38 o 15.9451 4.68157 1.21473      1.91932  -0.279074    1.94113  2.19309     101.279     25.2919     101.279     
1 1 1 6  15 39 o 50.6662 3.13891 13.9075      2.37603  15.3347      2.47166  33.2316     207.21      19.3575     27.2096     
1 1 1 6  15 40 o 14.427  4.21314 -0.235701    1.55628  1.07859      1.55734  3.80922     356.42      5.06214     176.42      
1 1 1 6  15 41 o 53.1798 2.81661 17.51        2.26058  14.7132      2.29931  55.4186     247.745     22.2675     247.745     
1 1 1 6  15 42 o 34.3673 3.7379  7.83567      1.89971  6.28743      1.9086   31.0245     301.467     8.04637     301.467     
1 1 1 6  15 43 o 38.073  3.89075 7.50162      2.24933  9.9593       2.10648  34.0548     102.631     7.2128      102.631     
1 1 1 6  15 44 o 33.7902 4.42689 6.64246      2.19581  7.67376      2.23921  27.936      198.535     2.67084     198.535     
1 1 1 6  15 45 o 19.2928 4.72917 0.605912     1.8478   3.63854      1.89024  8.19021     154.47      10.2406     334.47      
1 1 1 6  15 46 o 51.7494 3.26787 16.6283      2.56204  15.3741      2.58595  55.2925     354.955     25.2218     354.955     
1 1 1 6  15 47 o 25.6079 5.6211  3.43436      2.31498  6.34764      2.68374  14.4987     89.723      11.3117     269.723     
1 1 1 6  15 48 o 19.4235 5.14263 1.40194      2.26499  3.34112      2.06484  10.4032     53.2176     6.57505     233.218     
1 1 1 6  15 49 o 13.5861 4.29009 -0.699562    1.89447  0.600264     1.82113  3.50709     167.7       7.16739     347.7       
1 1 1 6  15 50 o 30.7539 4.76291 5.72497      2.25162  7.75402      2.15153  26.83       357.309     4.85835     357.309     
1 1 1 6  15 51 o 15.5806 4.73626 1.53268      1.88986  0.377474     2.31158  7.77901     80.8837     2.00679     80.8837     
1 1 1 6  15 52 o 18.722  5.04065 2.2439       1.98993  3.02117      2.05056  12.1281     327.783     1.04654     147.782     
1 1 1 6  15 53 o 28.5147 5.14545 6.51637      2.31911  6.32561      2.21428  23.5159     204.32      3.06689     204.32      
1 1 1 6  15 54 o 19.5159 5.11809 4.43516      2.17114  1.59793      2.18296  10.9687     3.32627     3.4513      183.326     
1 1 1 6  15 55 o 20.2422 5.32571 3.69303      2.11052  3.37318      2.35758  10.463      260.807     2.94693     80.8072     
1 1 1 6  15 56 o 16.1169 5.01352 3.61162      2.5213   -1.47619     2.8541   5.83108     281.412     7.65351     101.412     
1 1 1 6  15 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  16 0  o 210.147 1.9979  240.722      6.46265  240.722      6.46265  236.872     1.08016e-05 95.989      1.08016e-05 
1 1 1 6  16 1  o 141.735 2.04807 112.323      4.47447  106.758      4.46371  109.751     103.242     24.5432     283.242     
1 1 1 6  16 2  o 200.773 2.09419 218.457      6.22628  221.108      6.71634  196.432     135         41.2007     135         
1 1 1 6  16 3  o 143.702 2.02936 113.013      4.49255  112.152      4.48877  134.102     154.469     22.9848     154.469     
1 1 1 6  16 4  o 312.931 2.07672 536.73       9.61847  531.111      10.3774  323.149     155.136     90.1305     155.136     
1 1 1 6  16 5  o 128.124 1.99939 93.039       4.06398  86.0205      3.8267   100.513     63.2944     16.9533     243.294     
1 1 1 6  16 6  o 81.4937 2.2582  37.1663      2.9997   35.3977      2.65347  59.579      113.405     31.8853     113.405     
1 1 1 6  16 7  o 244.897 2.22077 335.977      8.38655  318.323      8.35929  208.785     346.64      16.1789     166.64      
1 1 1 6  16 8  o 181.557 2.43578 185.591      6.82954  174.186      6.7864   171.808     75.9428     26.607      75.9428     
1 1 1 6  16 9  o 108.596 2.46463 70.6228      4.33519  58.4905      3.8992   72.508      95.3564     38.6814     275.356     
1 1 1 6  16 10 o 153.362 2.5019  126.639      5.91382  130.07       5.90225  123.496     77.6641     19.9112     257.664     
1 1 1 6  16 11 o 64.8347 2.98699 26.2049      2.75616  20.1162      3.07889  24.9024     207.497     51.323      27.4966     
1 1 1 6  16 12 o 35.2357 3.73164 6.7769       1.9698   7.11312      1.95381  0.570192    56.651      19.82       56.6511     
1 1 1 6  16 13 o 205.217 2.35825 222.92       7.76337  236.764      7.10135  186.054     298.905     10.1365     298.905     
1 1 1 6  16 14 o 214.249 2.33987 260.611      8.04736  240.532      7.39511  193.127     176.195     7.97271     176.195     
1 1 1 6  16 15 o 210.101 2.34927 246.521      7.91315  235.293      7.2867   184.554     160.103     1.47388     340.103     
1 1 1 6  16 16 o 21.0983 4.65283 0.264785     1.89551  3.97399      1.87541  20.1962     246.802     53.2265     246.802     
1 1 1 6  16 17 o 37.6322 4.09765 7.39731      2.28105  8.51167      2.30903  4.5773      55.1002     21.3026     235.1       
1 1 1 6  16 18 o 44.7357 3.70613 10.7174      2.50499  11.517       2.5011   15.3737     169.639     9.73962     349.639     
1 1 1 6  16 19 o 111.785 2.65369 62.6306      4.52961  74.32        4.57127  91.5372     289.046     7.60044     109.046     
1 1 1 6  16 20 f 212.083 2.47305 245.59       8.06965  245.782      8.08358  168.649     5.85771     0           0           
1 1 1 6  16 21 o 182.878 3.03325 177.268      7.96558  188.975      9.10971  187.271     2.17323     54.7285     2.17323     
1 1 1 6  16 22 o 78.9167 2.71689 33.3568      3.2823   34.9548      3.30015  61.7422     337.316     8.80465     157.316     
1 1 1 6  16 23 o 105.381 2.51479 58.1553      4.05751  63.5205      4.08774  78.5399     234.731     24.6414     54.7309     
1 1 1 6  16 24 o 63.6036 2.68458 23.7885      2.76407  20.7301      2.47334  54.7172     76.2035     8.20272     76.2035     
1 1 1 6  16 25 o 21.4281 4.22687 0.546084     1.6502   4.30491      1.63679  7.13309     355.978     28.1731     355.978     
1 1 1 6  16 26 o 73.8533 2.30912 27.2021      2.60229  32.7678      2.62087  73.5071     67.1727     27.8959     67.1727     
1 1 1 6  16 27 o 82.2134 2.74791 34.5391      3.63368  39.9809      3.24855  62.3857     172.669     14.2207     352.669     
1 1 1 6  16 28 o 19.3677 4.28212 3.57059      1.64945  -0.0438181   1.62161  11.3508     23.4491     42.1599     23.4491     
1 1 1 6  16 29 o 61.3058 2.50813 21.428       2.39949  20.0448      2.31591  61.1299     11.2975     23.1594     11.2975     
1 1 1 6  16 30 o 50.2014 3.05976 11.936       2.36511  16.3313      2.24489  37.1191     113.161     7.8822      293.161     
1 1 1 6  16 31 o 23.8882 4.40609 2.81678      1.58145  3.89969      1.70992  5.44223     349.321     22.8512     169.321     
1 1 1 6  16 32 o 75.3974 2.42289 33.6459      2.65083  29.2981      2.92276  77.3771     256.953     26.5649     256.953     
1 1 1 6  16 33 f 20.4155 4.4336  2.14702      1.535    2.64987      1.53056  14.7381     24.1301     0           0           
1 1 1 6  16 34 o 18.3728 4.38765 2.43672      1.50569  1.14427      1.52057  4.21533     351.283     7.12567     171.283     
1 1 1 6  16 35 o 54.0953 2.68736 15.7712      2.21357  16.9813      2.2333   49.0812     115.629     7.95753     115.629     
1 1 1 6  16 36 o 47.6346 3.22297 9.35211      2.18991  16.9624      2.33973  28.0173     131.031     23.6592     311.031     
1 1 1 6  16 37 o 75.4935 2.61928 35.7472      3.16268  28.2305      2.90147  64.1886     170.303     0.204537    350.302     
1 1 1 6  16 38 o 45.193  3.14579 13.3867      2.2401   10.0574      2.0658   52.0718     266.226     30.4554     266.226     
1 1 1 6  16 39 o 13.596  4.19373 0.672666     1.68961  -1.33978     1.75138  2.06944     37.4614     4.7878      217.461     
1 1 1 6  16 40 o 71.4207 2.59787 25.3577      2.90381  32.4435      2.72763  66.2229     311.488     11.8833     311.488     
1 1 1 6  16 41 o 24.6927 4.60325 5.37525      1.91709  2.36978      1.78629  18.3923     152.726     3.7642      152.726     
1 1 1 6  16 42 o 15.9411 4.51163 1.20104      1.66317  0.834486     1.70302  3.40703     18.6357     4.17647     198.636     
1 1 1 6  16 43 o 45.0812 3.50784 13.1112      2.34674  11.0784      2.41517  35.2007     104.725     3.62282     284.725     
1 1 1 6  16 44 o 23.6252 5.05226 3.22571      2.00455  4.28646      2.01435  12.2719     335.434     10.8251     155.434     
1 1 1 6  16 45 o 29.8714 4.5151  6.18266      2.00479  5.53201      2.02396  22.7994     85.3047     1.45129     265.305     
1 1 1 6  16 46 o 43.3745 4.16612 13.6877      2.99442  10.5011      2.43658  40.0636     191.182     9.12908     191.182     
1 1 1 6  16 47 o 28.8686 5.43676 7.63093      2.45712  4.65148      2.6397   20.257      184.553     4.47332     4.5525      
1 1 1 6  16 48 o 19.4237 5.0515  0.718154     1.88605  4.38714      2.33292  12.8633     158.665     1.48504     158.665     
1 1 1 6  16 49 o 23.1948 5.01727 2.90046      2.00545  5.14747      2.0458   13.9579     106.796     7.94344     286.796     
1 1 1 6  16 50 o 14.2073 4.37599 -0.299644    1.83407  1.29699      1.83443  6.6222      135.025     1.05035     315.025     
1 1 1 6  16 51 o 17.822  4.88492 0.963044     2.01681  3.31396      2.00572  7.35405     80.0531     10.8925     260.053     
1 1 1 6  16 52 f 14.7043 4.59181 0.835772     2.09948  0.782826     1.97803  6.59419     182.989     0           0           
1 1 1 6  16 53 o 36.7869 4.47653 10.1347      2.50223  9.41574      2.38711  34.8671     85.6564     12.7262     85.6564     
1 1 1 6  16 54 f 20.4383 5.35179 4.56648      2.38658  2.71631      2.12811  11.5523     225.946     0           0           
1 1 1 6  16 55 o 13.3339 4.38578 0.0738873    2.23253  0.0313413    2.12803  1.3943      191.855     1.46084     11.8549     
1 1 1 6  16 56 o 15.6414 4.8352  1.74914      2.14069  1.71073      2.28073  7.80592     2.80634     4.35368     182.806     
1 1 1 6  17 0  o 279.232 2.01611 424.956      8.66699  424.956      8.66699  294.84      180         91.4763     180         
1 1 1 6  17 1  o 93.9606 2.05928 49.2828      2.97468  47.1068      2.97603  96.8492     102.733     61.8699     102.733     
1 1 1 6  17 2  o 190.993 1.95726 197.406      5.57719  200.377      5.93264  173.793     76.6937     13.603      76.6937     
1 1 1 6  17 3  o 227.643 2.00715 279.776      7.0342   285.366      7.03725  253.901     4.96828     109.087     4.96828     
1 1 1 6  17 4  o 164.204 2.05281 152.625      5.19297  141.543      5.18315  174.467     342.587     65.7226     342.587     
1 1 1 6  17 5  o 36.549  2.94381 6.5343       1.61768  8.3012       1.61397  0.200476    266.456     23.4027     266.456     
1 1 1 6  17 6  o 178.869 2.21007 174.142      6.12985  174.897      6.0444   203.499     286.883     97.3893     286.883     
1 1 1 6  17 7  o 110.479 2.72917 67.5612      4.73738  65.8991      4.5341   100.777     186.612     15.8759     186.612     
1 1 1 6  17 8  o 100.339 2.57287 53.1551      3.95839  56.9382      3.97618  74.3149     335.946     20.6696     155.946     
1 1 1 6  17 9  o 249.603 2.70405 341.249      11.9915  339.158      8.50854  234.825     2.24455     29.5434     2.24455     
1 1 1 6  17 10 f 99.5613 2.84273 53.3361      4.52867  55.1398      4.15429  77.7497     81.0582     0           0           
1 1 1 6  17 11 o 219.308 2.3415  261.035      8.21322  263.86       7.58558  164.914     17.2749     56.2154     197.275     
1 1 1 6  17 12 o 154.528 2.39553 129.387      5.90825  131.26       5.48097  150.667     24.0924     34.1418     24.0924     
1 1 1 6  17 13 o 182.999 2.37544 174.873      6.9165   190.851      6.43157  183.836     344.655     49.1035     344.655     
1 1 1 6  17 14 o 73.8758 2.80628 27.4903      3.24845  32.4235      3.07878  25.6621     90.3018     70.655      270.302     
1 1 1 6  17 15 o 159.542 2.49554 144.479      6.13998  133.622      6.11581  138.651     85.1311     0.670786    85.131      
1 1 1 6  17 16 o 129.211 2.57016 93.7607      5.11281  88.8201      5.10215  138.834     127.063     58.7679     127.063     
1 1 1 6  17 17 o 43.7653 3.80019 10.4549      2.50101  10.8724      2.5131   18.7965     268.742     9.31761     88.7425     
1 1 1 6  17 18 o 153.585 2.54137 140.364      6.01798  118.005      5.9676   148.75      302.276     31.4588     302.276     
1 1 1 6  17 19 o 65.8839 3.10901 24.3387      3.13041  23.4298      3.14077  55.67       334.305     6.9101      334.305     
1 1 1 6  17 20 o 18.5156 4.94145 2.07476      1.92343  0.433379     2.03927  5.95544     338.25      18.4886     338.25      
1 1 1 6  17 21 f 80.2919 2.81927 35.673       3.32297  35.1286      3.61757  64.8374     338.091     0           0           
1 1 1 6  17 22 o 49.5827 3.45126 16.4188      2.57873  11.1362      2.54194  38.2008     348.6       9.12758     348.6       
1 1 1 6  17 23 o 77.9166 3.03247 32.6185      3.62287  34.2833      3.62418  45.303      243.897     40.3104     63.8966     
1 1 1 6  17 24 o 34.4777 4.99948 6.1698       2.46753  7.61485      2.66699  2.98006     143.021     42.2824     323.021     
1 1 1 6  17 25 o 14.8001 4.46384 -0.857538    1.82548  0.642659     1.83613  16.3683     248.434     42.2538     248.434     
1 1 1 6  17 26 o 39.669  3.68802 10.7313      2.44086  7.18252      1.95763  18.1564     346.704     23.4509     166.704     
1 1 1 6  17 27 o 44.0105 3.3651  13.9261      2.25719  8.15473      2.1215   21.8404     98.5457     26.4206     278.546     
1 1 1 6  17 28 o 101.78  2.09917 55.3478      3.27959  58.4515      3.29187  86.1989     36.0494     2.17072     216.049     
1 1 1 6  17 29 o 64.6022 2.72939 21.4615      2.5416   24.888       2.86723  57.7875     37.5081     7.12205     37.508      
1 1 1 6  17 30 f 32.0681 4.04138 9.41211      1.85909  3.14171      1.8653   19.0855     171.935     0           0           
1 1 1 6  17 31 o 59.7592 2.49966 19.4523      2.28538  20.1742      2.29411  42.5238     88.8131     15.79       268.813     
1 1 1 6  17 32 o 62.0318 2.55693 23.3895      2.35898  19.4878      2.47495  47.8824     61.9049     8.84571     241.905     
1 1 1 6  17 33 f 37.2576 3.55275 9.04758      1.88114  6.95884      2.02898  29.8725     40.7211     0           0           
1 1 1 6  17 34 o 28.109  4.00792 2.94889      1.65734  6.62865      1.70729  20.6074     26.0305     10.8416     26.0305     
1 1 1 6  17 35 o 54.7276 2.69428 15.5809      2.23296  18.0568      2.27245  38.2434     204.136     15.37       24.1361     
1 1 1 6  17 36 o 53.5636 2.84955 16.2483      2.24907  16.1355      2.41298  56.5466     268.849     24.2205     268.849     
1 1 1 6  17 37 o 44.3998 3.08083 11.4403      2.08402  11.0936      2.07426  41.1221     138.29      8.83425     138.29      
1 1 1 6  17 38 o 22.7188 4.70334 3.92808      1.77052  2.43414      1.80015  11.1873     343.682     11.3958     163.682     
1 1 1 6  17 39 o 25.0221 4.54605 2.733        1.74702  5.17114      1.86443  7.19408     199.181     24.48       19.1808     
1 1 1 6  17 40 o 18.1689 4.65239 0.336353     1.65991  3.04591      1.90494  4.19982     301.58      15.6932     121.58      
1 1 1 6  17 41 o 36.5405 4.10713 6.88644      2.19284  9.49259      2.23592  17.7529     192.597     23.7384     12.597      
1 1 1 6  17 42 o 15.5087 4.54048 0.124296     1.79433  1.35751      1.80417  3.69931     167.284     4.28623     347.284     
1 1 1 6  17 43 f 17.097  4.74116 1.99564      1.81547  0.928188     1.87801  18.0639     341.104     0           0           
1 1 1 6  17 44 o 24.9151 5.31216 5.33673      2.0812   3.30906      2.56591  13.3694     12.9456     11.7481     192.946     
1 1 1 6  17 45 o 21.6128 5.18056 3.32929      2.05495  3.22584      2.05328  11.5094     116.54      9.38922     296.54      
1 1 1 6  17 46 o 19.7729 5.02011 4.6304       2.28677  0.201041     2.06234  10.9552     341.879     4.77113     341.879     
1 1 1 6  17 47 o 18.218  5.07437 2.30755      2.0717   1.94381      2.1202   10.6107     216.042     2.07163     36.0423     
1 1 1 6  17 48 o 16.4376 4.82932 1.49393      1.95526  1.44133      2.07347  1.99036     142.337     20.6807     322.337     
1 1 1 6  17 49 o 16.4382 4.72925 2.26361      1.90923  0.853036     1.92437  9.7428      191.956     2.02771     191.956     
1 1 1 6  17 50 o 14.1246 4.36234 -1.09996     1.87918  1.73371      1.90808  5.67375     109.73      2.17801     289.73      
1 1 1 6  17 51 o 13.8594 4.37115 1.29509      1.92464  -0.749993    1.97828  3.35967     64.0591     0.156154    244.059     
1 1 1 6  17 52 o 14.976  4.65105 0.705428     2.14471  1.23557      2.00446  4.25773     303.83      6.99041     123.83      
1 1 1 6  17 53 o 16.7239 4.86877 2.93873      2.09678  0.749457     2.09394  5.00058     276.729     4.13056     96.7291     
1 1 1 6  17 54 o 18.1052 5.08861 3.30533      2.14064  2.42044      2.12773  9.29862     83.3659     0.746793    83.3659     
1 1 1 6  17 55 o 14.6914 4.62756 0.747376     2.12143  1.59613      2.12696  5.82533     229.219     7.17905     49.2186     
1 1 1 6  18 0  o 118.96  2.05486 77.2509      3.75915  77.2509      3.75915  153.815     6.48741e-06 97.4259     6.48741e-06 
1 1 1 6  18 1  o 98.5196 2.12289 56.5108      3.215    49.5838      3.20864  111.72      121.85      72.6449     121.85      
1 1 1 6  18 2  o 80.9815 2.16494 34.7331      2.69225  36.9321      2.69565  66.3934     227.758     3.77147     227.758     
1 1 1 6  18 3  o 89.3141 2.13256 44.1833      2.92952  42.9428      2.92761  91.0737     204.047     43.0192     204.047     
1 1 1 6  18 4  o 144.333 2.03757 116.111      4.40568  111.144      4.64171  135.038     34.4433     22.3093     34.4433     
1 1 1 6  18 5  o 45.4007 2.96486 13.2418      1.83997  9.62324      2.14428  14.9278     105.285     6.59578     285.285     
1 1 1 6  18 6  o 130.448 2.65515 93.3884      5.65931  92.6159      4.97708  99.705      108.824     24.3426     288.824     
1 1 1 6  18 7  o 197.943 2.92112 208.444      9.45964  219.858      8.27107  215.774     258.815     88.3613     258.815     
1 1 1 6  18 8  o 50.478  3.50484 16.1826      2.88926  12.1267      2.48859  3.43642     236.124     69.6184     56.1236     
1 1 1 6  18 9  o 134.278 3.12202 89.3885      6.79468  108.491      5.93822  82.3672     263.889     66.6651     83.889      
1 1 1 6  18 10 o 175.387 2.6242  170.733      6.64468  165.336      7.48943  130.832     63.7416     43.0149     243.742     
1 1 1 6  18 11 o 132.927 2.54312 94.8468      5.19423  98.3282      5.2063   112.401     201.851     2.46177     21.8513     
1 1 1 6  18 12 o 166.232 2.48545 153.659      6.36439  148.214      6.35865  171.597     97.7958     56.9074     97.7958     
1 1 1 6  18 13 f 226.78  2.44438 291.897      8.54254  270.098      8.52093  152.014     124.495     0           0           
1 1 1 6  18 14 o 63.4812 3.06438 23.2381      2.98072  21.102       2.96934  19.6755     149.806     64.3474     329.806     
1 1 1 6  18 15 o 16.564  4.46176 -2.00227     1.85131  2.40825      1.86001  14.4419     337.124     36.5136     337.124     
1 1 1 6  18 16 o 132.785 2.55912 100.986      5.25197  92.0771      5.19765  135.652     24.7663     43.6982     24.7663     
1 1 1 6  18 17 o 89.1063 2.76223 44.4252      3.78231  42.6732      3.77848  87.3516     174.486     26.5166     174.486     
1 1 1 6  18 18 o 107.343 2.66579 63.0808      4.41321  63.2309      4.38595  99.9053     107.341     17.6433     107.341     
1 1 1 6  18 19 o 52.6411 3.35715 15.4491      2.59022  15.2551      2.78822  37.5575     305.555     22.5723     305.555     
1 1 1 6  18 20 o 48.8645 3.49987 14.6701      2.51118  11.9575      2.63999  33.7133     349.677     2.41146     169.677     
1 1 1 6  18 21 o 94.3415 2.96522 52.2763      4.51514  45.8237      4.08245  83.2723     313.589     8.36357     313.589     
1 1 1 6  18 22 o 100.958 3.14015 59.4873      5.41608  53.0688      4.31009  91.2712     58.3389     12.0497     58.3389     
1 1 1 6  18 23 o 28.4876 4.68859 2.67162      2.1665   6.81101      2.03709  3.40946     46.0413     3.45377     226.041     
1 1 1 6  18 24 o 37.8524 4.15002 8.25989      2.19733  8.07004      2.47119  24.743      299.796     3.06657     299.796     
1 1 1 6  18 25 o 46.9029 4.00285 13.9758      2.95013  11.0097      2.70536  27.8693     84.2029     19.0851     264.203     
1 1 1 6  18 26 o 86.8952 3.27507 40.1202      4.78528  43.9631      3.83474  57.7955     39.8371     32.4268     219.837     
1 1 1 6  18 27 o 32.2013 4.35324 5.12456      2.08168  7.0099       2.0667   19.0941     351.618     10.1128     171.618     
1 1 1 6  18 28 o 30.0074 4.03485 6.66068      2.07557  3.98138      1.53735  20.8238     13.3183     1.53082     193.318     
1 1 1 6  18 29 o 14.208  4.49877 -0.83765     1.53682  -0.144752    2.41596  1.82319     238.785     12.1788     238.785     
1 1 1 6  18 30 o 31.0121 3.78118 7.09102      1.68131  4.21784      1.73357  21.4646     226.175     3.53653     46.1747     
1 1 1 6  18 31 o 14.0962 3.8882  -1.10272     1.38646  1.6473       1.3694   0.707862    308.01      8.67241     308.01      
1 1 1 6  18 32 o 41.8199 3.12967 9.48739      2.03625  10.3638      1.92082  30.8453     189.255     6.16516     9.25453     
1 1 1 6  18 33 o 49.9409 2.79519 14.1997      2.12352  13.8496      2.14007  36.9221     234.548     8.8892      54.5479     
1 1 1 6  18 34 o 61.2956 2.65734 20.9544      2.40734  21.1847      2.58242  58.127      348.694     13.8059     348.694     
1 1 1 6  18 35 o 23.997  4.49832 3.23271      1.70264  3.80011      1.68301  5.77824     204.355     26.4665     24.3552     
1 1 1 6  18 36 o 18.5266 4.59253 1.6824       1.61283  2.1515       1.63398  7.31984     23.5931     10.4523     203.593     
1 1 1 6  18 37 o 27.4312 4.34591 4.43973      1.79447  4.83777      1.7868   16.5837     203.6       8.90976     23.6003     
1 1 1 6  18 38 o 22.445  4.6912  3.28729      1.71909  3.03583      1.75242  12.6821     103.309     4.81617     103.309     
1 1 1 6  18 39 o 70.7324 2.59132 30.136       2.88792  26.63        2.73688  66.0776     175.45      14.5511     175.45      
1 1 1 6  18 40 o 49.4688 3.2926  17.5529      2.4336   11.4316      2.41533  46.2823     259.659     12.1565     259.659     
1 1 1 6  18 41 o 29.1952 4.92695 7.27331      2.11105  4.06066      2.39087  21.9215     66.0501     0.404614    246.05      
1 1 1 6  18 42 f 37.6184 4.27897 9.33099      2.28345  8.65826      2.48643  23.7324     161.009     0           0           
1 1 1 6  18 43 o 16.543  4.82516 0.503836     2.03287  1.83593      2.01078  8.67859     195.562     1.42907     15.5617     
1 1 1 6  18 44 o 27.1875 4.968   3.50742      2.16063  6.94475      2.20237  20.9043     299.84      0.341849    299.839     
1 1 1 6  18 45 o 14.9082 4.54613 1.84176      2.03107  -1.46959     2.03594  3.86972     187.662     1.59236     7.66192     
1 1 1 6  18 46 o 38.883  3.88256 9.47967      2.25629  10.0285      2.26194  36.9898     295.162     12.0003     295.162     
1 1 1 6  18 47 o 18.8414 4.91462 -0.361012    2.40015  4.21614      2.06591  13.8447     332.53      2.16677     332.53      
1 1 1 6  18 48 o 25.1071 5.36184 5.5092       2.2112   4.56318      2.32213  23.6316     202.582     12.7872     202.582     
1 1 1 6  18 49 o 36.4055 4.32744 7.65393      2.28283  10.9046      2.35191  29.7678     106.167     1.85683     106.167     
1 1 1 6  18 50 o 23.2815 5.17975 5.57278      2.13241  3.34136      2.166    16.6254     45.7975     0.784447    225.797     
1 1 1 6  18 51 o 15.1143 4.58804 2.36767      1.99074  -0.945604    2.17575  4.05085     96.4736     3.48383     276.474     
1 1 1 6  18 52 o 15.6071 4.75228 1.59912      2.06458  1.19434      2.07884  3.61563     181.609     6.49798     1.60859     
1 1 1 6  18 53 o 14.0085 4.45254 1.7756       2.04396  -0.746294    2.12909  3.03561     348.951     2.17043     168.951     
1 1 1 6  18 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  19 0  o 18.727  5.00736 2.59198      1.35366  2.59198      1.35366  8.63375     360         21.5577     360         
1 1 1 6  19 1  o 284.697 1.96813 456.227      8.92565  428.27       8.33307  246.313     266.243     3.89261     86.2434     
1 1 1 6  19 2  o 159.572 2.16251 145.223      4.88006  132.831      5.67404  162.527     146.972     52.2826     146.972     
1 1 1 6  19 3  o 177.561 2.04393 181.16       5.3694   163.103      5.76805  152.789     9.67074     0.886065    189.671     
1 1 1 6  19 4  f 38.8517 2.97309 10.3346      1.71939  6.58174      1.70294  41.4838     88.8888     0           0           
1 1 1 6  19 5  o 122.506 2.11194 76.0115      3.85304  88.0545      4.11046  139.038     87.7649     75.2633     87.7649     
1 1 1 6  19 6  o 147.842 2.2761  123.181      4.833    115.527      5.48478  136.105     56.4325     19.2329     56.4325     
1 1 1 6  19 7  o 133.516 2.46916 100.767      4.88354  94.1061      5.2407   131.945     15.3907     37.3252     15.3907     
1 1 1 6  19 8  o 153.626 2.90441 125.092      6.00308  133.271      7.67371  170.332     260.509     78.8583     260.509     
1 1 1 6  19 9  o 152.581 2.83037 125.136      6.62733  129.734      6.66049  137.632     26.3005     13.1423     26.3005     
1 1 1 6  19 10 o 38.8501 4.28238 11.9322      2.51681  5.63059      2.29221  14.0961     136.012     15.3149     316.012     
1 1 1 6  19 11 o 103.808 2.65546 56.3901      4.21971  61.6924      4.25073  82.5315     92.2375     10.6423     272.237     
1 1 1 6  19 12 o 34.2238 4.35175 5.89736      2.19077  7.43907      2.2179   10.0639     139.566     6.39204     319.566     
1 1 1 6  19 13 o 123.89  2.58878 86.5053      4.92992  81.6095      4.93347  128.589     87.6295     46.8039     87.6295     
1 1 1 6  19 14 o 120.019 2.59553 77.3444      4.78369  80.4768      4.79771  116.88      281.922     29.9883     281.922     
1 1 1 6  19 15 o 109.984 2.62252 62.7778      4.41806  69.9319      4.4438   103.804     289.681     21.9086     289.681     
1 1 1 6  19 16 o 92.4878 2.74381 44.7917      3.88767  49.1933      3.9046   70.7413     3.00785     13.6871     183.008     
1 1 1 6  19 17 o 17.6496 5.01789 0.461467     2.31096  1.13681      1.89588  9.95134     303.737     27.9486     303.737     
1 1 1 6  19 18 o 44.3149 3.95067 12.2522      2.75443  9.87572      2.5134   28.5875     44.3204     4.42111     44.3204     
1 1 1 6  19 19 o 55.7046 3.26233 17.9063      2.75886  16.5373      2.78278  22.1085     14.5937     45.7817     194.594     
1 1 1 6  19 20 o 60.857  3.2941  23.7419      3.04287  17.5922      3.02809  39.5778     79.4231     19.3966     259.423     
1 1 1 6  19 21 o 35.2046 4.66913 7.99594      2.41994  6.35814      2.44623  14.5879     11.9667     19.5988     191.967     
1 1 1 6  19 22 o 62.7471 2.92401 23.3998      2.79754  20.2759      2.80866  55.6856     278.043     9.78565     278.043     
1 1 1 6  19 23 o 47.9428 3.51029 10.4471      2.40285  15.6262      2.66303  37.2041     86.5217     1.0571      266.522     
1 1 1 6  19 24 o 15.5838 4.57273 -1.19696     1.90183  1.36905      1.90941  3.22453     7.88764     15.6675     7.88764     
1 1 1 6  19 25 o 17.4961 5.06355 0.915118     2.08106  0.624452     2.26398  0.950354    88.1054     12.5729     268.105     
1 1 1 6  19 26 o 92.1504 2.91818 44.4027      3.93232  50.1857      4.33172  88.6716     112.985     21.2841     112.985     
1 1 1 6  19 27 o 42.848  3.85718 10.3956      2.6318   10.64        2.32414  26.7532     246.941     16.1205     66.9406     
1 1 1 6  19 28 o 28.1044 5.28804 3.81026      2.3462   5.78874      2.37028  6.68905     201.31      29.8886     21.3099     
1 1 1 6  19 29 o 35.0215 4.17729 6.98824      2.1542   7.39813      2.19094  17.7426     344.73      20.2325     164.73      
1 1 1 6  19 30 o 25.8567 4.42562 3.00172      1.53138  5.14566      1.98595  13.0846     281.217     11.2282     101.217     
1 1 1 6  19 31 o 64.0863 2.59597 21.1907      2.57583  24.7705      2.50711  52.9389     247.478     1.03836     67.4782     
1 1 1 6  19 32 o 31.842  3.70034 4.95241      1.72704  6.97906      1.74488  21.3094     33.3907     7.54515     213.391     
1 1 1 6  19 33 o 25.9574 4.33756 4.6893       1.74867  3.51224      1.67631  12.6274     312.25      15.3573     132.25      
1 1 1 6  19 34 o 21.1394 4.83441 3.28369      1.66751  1.87513      2.06725  9.04532     69.2086     12.8311     249.209     
1 1 1 6  19 35 o 42.5995 3.15712 11.0182      2.03354  9.92725      2.04085  43.594      173.55      19.3321     173.55      
1 1 1 6  19 36 o 53.5621 2.91353 15.3545      2.28226  17.5314      2.4883   46.5797     309.178     5.28493     309.178     
1 1 1 6  19 37 o 68.9345 2.50764 27.2985      2.64617  26.4144      2.65888  58.4863     185.646     2.68647     185.646     
1 1 1 6  19 38 o 38.8913 3.44707 8.55335      2.01022  9.33164      2.02473  16.4778     304.493     30.0813     124.493     
1 1 1 6  19 39 o 33.6076 3.99728 5.73527      1.97762  8.26261      1.96829  28.3367     269.6       4.80919     269.6       
1 1 1 6  19 40 o 22.6256 5.09125 3.47071      2.00781  3.43504      1.98435  7.57833     358.698     18.7345     178.698     
1 1 1 6  19 41 o 20.0241 4.98073 1.96341      1.91107  3.2637       1.95636  10.6883     43.8411     6.78038     223.841     
1 1 1 6  19 42 o 50.5416 3.54534 13.5918      2.50801  17.8882      2.94104  41.5999     143.548     0.587582    143.548     
1 1 1 6  19 43 o 14.3532 4.48985 0.826588     1.87774  -0.769757    2.14129  3.88477     261.73      8.26685     81.7304     
1 1 1 6  19 44 o 28.2383 5.72727 6.59917      2.56837  5.76795      2.69726  15.0436     345.944     13.5484     165.943     
1 1 1 6  19 45 o 13.764  4.37092 -1.08613     1.88565  0.966243     2.03882  5.32652     138.739     4.26207     318.739     
1 1 1 6  19 46 o 15.6822 4.63637 0.207856     1.94455  2.02829      1.91712  8.81165     27.7605     1.15089     207.761     
1 1 1 6  19 47 o 22.4548 5.26204 3.44048      2.29113  4.61153      2.05049  8.26693     212.454     17.6053     32.4535     
1 1 1 6  19 48 o 31.6763 5.12331 8.40046      2.44345  7.06564      2.45633  24.3088     213.488     0.457419    33.4879     
1 1 1 6  19 49 o 20.6705 5.32551 3.99744      2.12837  3.18656      2.32907  12.4471     219.79      4.00169     39.7901     
1 1 1 6  19 50 o 21.2749 5.09002 5.52058      2.14406  1.5923       2.38301  10.6546     216.811     7.25622     36.8115     
1 1 1 6  19 51 f 41.4338 4.05031 11.1959      2.49519  12.7513      2.5233   18.1778     6.27193     0           0           
1 1 1 6  19 52 o 20.9691 5.35063 4.68374      2.21316  3.74476      2.24917  12.0981     168.087     6.41567     168.087     
1 1 1 6  19 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  20 0  o 80.2525 2.2875  35.2949      2.81643  35.2949      2.81643  67.1181     180         5.38287     8.65148e-06 
1 1 1 6  20 1  o 144.796 2.00839 112.188      4.47304  116.734      4.48201  153.499     241.424     60.6275     241.424     
1 1 1 6  20 2  o 89.3452 2.28764 43.5655      3.26881  43.7705      3.00939  93.9218     147.773     42.6011     147.773     
1 1 1 6  20 3  o 80.8389 2.41314 35.8548      3.21775  35.7069      2.7593   67.9411     236.766     3.12572     236.766     
1 1 1 6  20 4  o 23.3628 3.96684 4.50146      1.49139  1.79897      1.43789  9.82492     273.772     42.2179     273.772     
1 1 1 6  20 5  o 16.5275 4.10131 0.713627     1.33426  1.82193      1.31816  14.6711     205.614     38.9621     205.614     
1 1 1 6  20 6  o 89.1611 2.55576 42.1327      3.72633  44.999       3.24002  47.5495     204.597     55.0751     24.5973     
1 1 1 6  20 7  o 161.819 2.43146 153.782      6.40121  132.973      5.72271  126.845     14.6903     24.2261     194.69      
1 1 1 6  20 8  o 120.951 2.67116 81.1983      4.96704  79.1298      4.97023  101.292     30.1876     2.7261      210.188     
1 1 1 6  20 9  o 121.553 2.40886 77.5247      4.4899   84.3019      4.51385  106.407     178.008     6.7826      178.008     
1 1 1 6  20 10 o 91.6488 2.60767 42.5083      3.54686  49.7654      3.79668  88.3454     107.436     25.7446     107.436     
1 1 1 6  20 11 o 121.62  2.50646 84.2429      4.52354  77.9144      4.83166  109.866     217.763     14.0775     217.763     
1 1 1 6  20 12 f 167.397 2.52889 145.641      6.55632  161.522      6.46276  170.9       88.1748     0           0           
1 1 1 6  20 13 o 89.4158 2.81284 42.0649      3.91649  45.8953      3.79799  77.1653     80.3736     6.76905     80.3736     
1 1 1 6  20 14 o 64.6107 3.19451 27.2001      3.31118  19.3074      2.98089  62.6776     302.058     29.1129     302.058     
1 1 1 6  20 15 o 188.947 2.48201 199.393      7.22535  192.135      7.2161   200.073     186.512     77.1943     186.512     
1 1 1 6  20 16 o 65.6869 2.94215 23.611       2.88304  24.056       3.0375   47.9455     76.2749     10.2233     256.275     
1 1 1 6  20 17 o 62.428  3.04755 17.4475      2.76992  26.1411      3.00109  51.6882     117.216     3.89244     117.216     
1 1 1 6  20 18 o 22.0572 4.92252 3.53361      1.89443  1.77528      1.95457  6.64348     70.0282     37.4612     70.0282     
1 1 1 6  20 19 o 60.8174 3.27688 20.5881      3.03728  20.5957      3.05423  43.2424     114.511     12.6259     294.511     
1 1 1 6  20 20 o 54.2864 3.42922 17.139       2.83384  15.8621      2.83524  38.9341     223.986     9.84915     43.9864     
1 1 1 6  20 21 o 29.2396 4.60932 6.94589      2.00807  3.20194      2.12531  1.43446     156.538     47.7227     156.538     
1 1 1 6  20 22 o 48.4798 4.09374 13.774       2.68286  13.0461      3.2481   39.2432     38.4604     0.331784    38.4602     
1 1 1 6  20 23 o 71.4289 3.32135 29.0522      3.88661  28.1406      3.366    76.0072     95.664      33.755      95.664      
1 1 1 6  20 24 o 24.6532 5.12952 2.91314      2.07565  4.27658      2.12139  11.2285     127.249     9.97479     307.249     
1 1 1 6  20 25 o 81.0853 2.91617 33.939       3.60913  39.5474      3.63403  63.2224     34.4925     9.86647     214.493     
1 1 1 6  20 26 o 24.9608 5.19843 2.68079      2.39683  4.61808      2.02397  5.79667     307.022     25.1018     127.022     
1 1 1 6  20 27 o 32.7166 5.08527 7.99338      2.48665  5.09708      2.52823  24.3411     15.7084     0.0394206   15.7066     
1 1 1 6  20 28 o 53.6916 3.53561 18.467       2.65032  14.5489      3.01901  29.7477     24.8352     29.3413     204.835     
1 1 1 6  20 29 o 64.5354 2.94328 22.2689      2.89423  24.6522      2.91944  64.8344     239.27      23.2311     239.27      
1 1 1 6  20 30 o 17.2905 4.8352  1.50421      1.91585  0.811173     1.9159   5.55494     263.256     5.02962     83.2558     
1 1 1 6  20 31 o 25.6331 5.11579 4.12209      2.10738  4.05125      2.10672  21.8869     123.118     10.2036     123.118     
1 1 1 6  20 32 o 33.171  4.64037 8.43967      2.25765  5.19803      2.30068  24.1113     335.857     4.21322     155.857     
1 1 1 6  20 33 o 16.6097 4.14901 2.85137      1.59937  -0.700087    1.48272  2.86947     214.597     0.598557    34.5966     
1 1 1 6  20 34 o 11.6271 3.78744 -0.605535    1.69148  -1.20763     1.42661  4.74858     322.86      20.7922     322.86      
1 1 1 6  20 35 o 38.2387 3.5193  10.2723      1.98303  7.09927      1.98933  28.2056     218.515     4.27629     38.5146     
1 1 1 6  20 36 o 20.1037 4.62724 3.76911      1.74037  0.68596      1.92432  8.09918     64.3358     1.11986     64.3358     
1 1 1 6  20 37 f 38.473  3.79031 9.24619      2.05072  8.65726      2.29312  28.7358     76.834      0           0           
1 1 1 6  20 38 o 26.7676 4.67435 4.56532      1.87624  4.83532      1.95434  21.0786     38.8272     3.84767     38.8272     
1 1 1 6  20 39 o 59.7706 3.12964 19.5928      2.74987  22.761       2.97031  60.1558     88.2834     23.0128     88.2834     
1 1 1 6  20 40 o 17.3255 4.7286  1.97004      1.80571  1.46829      1.77785  9.80461     219.073     1.70569     219.073     
1 1 1 6  20 41 o 44.5649 4.17447 12.9851      2.57363  12.4935      2.97057  37.0896     11.3726     2.53884     11.3726     
1 1 1 6  20 42 o 26.6567 4.96172 3.32241      2.10899  6.91993      2.21138  18.6708     62.4254     2.3655      242.425     
1 1 1 6  20 43 o 14.6131 4.62621 0.813013     2.14661  -0.558873    2.18759  4.02566     198.728     0.441301    18.7278     
1 1 1 6  20 44 o 16.1498 4.75689 -0.382359    1.85032  2.8015       2.23592  8.78106     328.388     3.88386     148.388     
1 1 1 6  20 45 o 18.7844 4.55312 4.8267       1.98812  -1.69257     2.22996  12.0923     23.2299     1.68481     203.23      
1 1 1 6  20 46 o 13.021  4.25027 0.594901     2.10423  -1.47945     1.90835  2.31296     6.37785     10.9416     186.378     
1 1 1 6  20 47 o 28.0152 5.25666 5.64206      2.45101  7.01234      2.22565  20.66       323.218     1.00517     143.218     
1 1 1 6  20 48 o 11.5968 3.94343 -0.990995    2.15816  -2.08967     1.94447  0.0314981   76.3996     10.5545     76.3993     
1 1 1 6  20 49 o 14.7607 4.66379 0.569211     2.04416  1.00589      2.28198  0.553089    289.023     0.85815     109.023     
1 1 1 6  20 50 o 15.5273 4.76219 1.31357      2.11789  1.55794      2.09921  3.48402     118.968     1.88557     298.968     
1 1 1 6  20 51 f 14.2052 4.53093 0.942318     2.09835  0.861316     2.09949  5.57688     357.817     0           0           
1 1 1 6  20 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  21 0  o 177.506 1.977   171.981      5.40091  171.981      5.40091  166.931     180         27.8684     180         
1 1 1 6  21 1  o 97.295  2.30535 51.8839      3.68795  51.8166      3.19206  84.6169     251.615     8.08432     251.615     
1 1 1 6  21 2  o 62.5958 2.68274 19.5311      2.74434  23.6736      2.32189  44.3695     253.652     9.49622     73.6523     
1 1 1 6  21 3  o 67.8744 2.36121 27.0976      2.4654   23.515       2.44686  56.1669     309.963     5.62364     309.963     
1 1 1 6  21 4  o 29.6623 3.57444 3.95778      1.53197  6.1087       1.58785  2.95345     55.923      19.4102     235.923     
1 1 1 6  21 5  o 33.1187 3.35992 5.37745      1.65295  6.98859      1.65037  7.01505     308.277     22.2888     128.277     
1 1 1 6  21 6  o 114.827 2.24607 71.5383      4.25736  72.8827      3.64784  130.716     55.1645     72.3892     55.1645     
1 1 1 6  21 7  o 29.9137 5.12547 5.15806      2.33457  5.24168      2.33737  3.41114     102.321     18.44       282.321     
1 1 1 6  21 8  o 39.87   4.4795  9.91199      2.80611  8.22044      2.51295  20.3935     184.255     4.52677     4.25493     
1 1 1 6  21 9  o 157.959 2.59486 144.784      6.97449  129.208      5.63781  133.399     336.724     1.49952     156.724     
1 1 1 6  21 10 o 137.859 2.60468 108.38       6.03181  100.448      5.00113  138.535     260.455     44.7349     260.455     
1 1 1 6  21 11 o 48.2816 3.56712 11.2548      2.70981  14.9185      2.40261  29.3665     332.675     13.9787     152.675     
1 1 1 6  21 12 o 16.8891 4.31951 -1.1305      1.66348  2.63765      1.7002   4.8099      209.472     15.0256     209.472     
1 1 1 6  21 13 o 33.206  4.10809 6.40479      2.01199  6.21486      2.03575  13.1367     310.315     15.7088     130.315     
1 1 1 6  21 14 o 70.4287 2.75925 25.2736      2.96164  29.5909      2.98704  52.4001     131.516     10.5867     311.516     
1 1 1 6  21 15 o 42.6926 3.79471 11.6661      2.50782  9.01396      2.35341  34.9218     277.82      12.2075     277.82      
1 1 1 6  21 16 o 75.0169 2.68973 31.6164      3.09571  30.5773      3.09751  85.3204     117.971     50.183      117.971     
1 1 1 6  21 17 o 46.5948 3.64491 13.6847      2.62918  10.8888      2.49768  28.8269     225.097     16.475      45.0969     
1 1 1 6  21 18 o 55.3622 3.79578 16.978       2.86295  17.6522      3.50075  40.5902     239.268     9.06878     59.2684     
1 1 1 6  21 19 o 18.0979 4.84297 1.83074      1.75651  0.881181     2.00449  1.74961     191.082     24.8283     191.082     
1 1 1 6  21 20 o 71.4603 2.76829 28.3195      3.03256  28.4394      3.03667  75.9844     147.187     34.2924     147.187     
1 1 1 6  21 21 o 62.0199 3.26597 20.1256      3.09557  23.1292      3.0839   41.81       63.8885     19.1743     243.889     
1 1 1 6  21 22 o 124.818 2.66298 91.4786      5.12585  81.6252      5.08838  124.207     140.778     38.1481     140.778     
1 1 1 6  21 23 o 64.5144 3.16157 21.3906      3.1041   25.505       3.11951  58.0337     104.326     9.84427     104.326     
1 1 1 6  21 24 o 53.6382 3.47576 15.1219      2.82549  17.6513      2.8376   42.9058     55.9195     1.64644     235.92      
1 1 1 6  21 25 o 75.9656 2.77225 35.1415      3.21296  29.5266      3.22927  53.0293     265.772     20.5598     85.772      
1 1 1 6  21 26 o 13.9829 4.47259 0.0581235    2.12186  -2.35524     2.11898  0.304746    126.177     5.98158     126.177     
1 1 1 6  21 27 o 41.9445 4.03298 8.76141      2.34118  11.9264      2.73186  36.4511     217.243     6.35488     217.243     
1 1 1 6  21 28 o 17.7195 4.79106 -0.194794    1.92637  2.52528      1.96811  6.87813     183.724     4.08627     3.72399     
1 1 1 6  21 29 o 29.8012 4.84794 5.46873      2.1367   5.50684      2.22022  28.2668     170.499     12.8532     170.499     
1 1 1 6  21 30 o 25.7248 5.21362 4.18964      2.14276  4.18741      2.20087  7.47656     268.22      24.894      88.2204     
1 1 1 6  21 31 o 32.2938 4.61421 7.28702      2.18671  5.64798      2.24075  21.4889     334.201     7.18273     154.201     
1 1 1 6  21 32 o 25.8492 5.34897 4.15105      2.12234  4.53424      2.40755  16.8419     345.594     2.75564     165.594     
1 1 1 6  21 33 o 24.4762 5.25737 3.54163      2.10459  4.21081      2.21306  10.2399     115.305     15.2853     295.305     
1 1 1 6  21 34 o 17.3804 4.90263 2.02226      1.99736  0.410035     2.05625  5.02529     310.119     6.68481     130.119     
1 1 1 6  21 35 o 21.6212 5.28153 2.237        2.11776  3.70151      2.21309  12.141      116.839     2.46839     296.839     
1 1 1 6  21 36 o 17.7623 5.05144 0.779804     2.14201  2.14833      2.15141  2.32172     236.557     19.4858     56.5571     
1 1 1 6  21 37 o 30.8522 4.97738 6.26389      2.11478  6.5631       2.51103  21.8242     152.686     3.7436      332.686     
1 1 1 6  21 38 o 32.7636 4.44502 8.62655      2.17072  5.5512       2.13342  31.7887     121.291     13.7108     121.291     
1 1 1 6  21 39 o 12.4996 4.07699 -0.93219     1.678    -0.487004    1.95622  2.39963     276.002     4.05028     96.0016     
1 1 1 6  21 40 f 19.639  5.07718 4.0088       2.09455  0.468034     2.38976  15.7792     113.494     0           0           
1 1 1 6  21 41 o 34.1196 4.41467 7.88019      2.31983  7.75112      2.14556  35.1717     240.563     19.4123     240.563     
1 1 1 6  21 42 o 15.4998 4.671   0.042566     2.10118  1.69658      1.93599  7.37739     80.2588     4.42116     260.259     
1 1 1 6  21 43 o 14.6736 4.54771 0.991715     1.85803  0.177714     2.11749  6.75983     328.494     3.86061     148.494     
1 1 1 6  21 44 o 18.4947 4.97251 1.58267      2.01084  3.32546      2.01347  8.53387     85.5083     8.86419     265.508     
1 1 1 6  21 45 o 23.4448 5.4221  5.00646      2.23794  4.15221      2.30173  18.0781     157.197     3.30548     157.197     
1 1 1 6  21 46 o 35.009  4.73951 8.86029      2.40326  9.27127      2.52086  29.4885     18.3648     5.04365     18.3648     
1 1 1 6  21 47 o 15.5222 4.75713 -0.472245    2.09434  2.58703      2.27023  4.04601     126.355     7.86406     306.355     
1 1 1 6  21 48 o 13.701  4.44246 2.30037      2.43072  -3.29665     2.01306  0.830727    126.652     3.51618     306.652     
1 1 1 6  21 49 o 16.4024 5.03003 3.00752      2.35229  0.606913     2.54204  6.21925     171.823     2.43317     351.823     
1 1 1 6  21 50 o 14.7606 4.67784 -1.43436     2.07269  3.20928      2.49032  6.08058     104.698     4.94364     284.698     
1 1 1 6  21 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  22 0  o 19.4351 5.03558 2.77275      1.39071  2.77275      1.39071  7.38074     180         29.4671     180         
1 1 1 6  22 1  o 22.0327 4.00496 1.95601      1.39285  3.64227      1.40412  5.33843     79.7322     29.951      79.7322     
1 1 1 6  22 2  o 52.2081 2.58674 17.2378      2.05481  12.994       2.04537  37.5561     0.911809    4.45671     180.912     
1 1 1 6  22 3  o 29.4819 3.85893 5.05425      1.54648  4.88385      1.81854  3.14458     98.0846     30.7937     278.085     
1 1 1 6  22 4  o 85.4385 2.55834 35.4415      3.31508  45.1804      3.36935  59.4582     45.4822     22.3584     225.482     
1 1 1 6  22 5  o 111.673 2.31673 70.1799      4.37905  66.7616      3.55497  97.0049     354.507     7.49361     354.507     
1 1 1 6  22 6  o 43.0287 2.92688 11.3905      2.12554  9.25292      1.7104   25.7635     13.6658     11.89       193.666     
1 1 1 6  22 7  o 23.2844 4.87005 0.638523     2.10148  5.05863      2.11278  0.567748    41.9105     22.1796     41.9104     
1 1 1 6  22 8  o 116.032 2.42547 78.2909      4.33828  69.8713      4.31041  98.0811     108.839     1.7318      108.838     
1 1 1 6  22 9  o 71.4196 2.7141  26.8854      2.97388  29.4934      2.96864  63.672      276.94      11.5702     276.94      
1 1 1 6  22 10 o 48.1309 3.23465 11.9688      2.37222  13.9502      2.35008  31.7487     88.6748     11.6355     268.675     
1 1 1 6  22 11 o 86.1531 2.59535 36.9535      3.40843  45.1685      3.43782  72.7521     247.356     2.68241     247.357     
1 1 1 6  22 12 o 12.3702 3.93914 -1.19613     1.64605  -0.367523    1.53771  13.9331     320.531     37.4042     320.531     
1 1 1 6  22 13 o 47.6681 3.84299 10.5545      2.69999  15.4229      2.75513  44.047      325.392     15.0602     325.392     
1 1 1 6  22 14 o 108.605 3.34285 61.5606      6.01663  70.1969      4.9928   110.64      77.431      39.6246     77.431      
1 1 1 6  22 15 o 143.606 2.50192 108.586      5.73722  119.262      5.28071  137.356     301.525     32.7997     301.525     
1 1 1 6  22 16 o 119.526 2.85345 80.758       5.52544  77.9487      4.95591  109.151     62.0012     17.6225     62.0012     
1 1 1 6  22 17 o 31.1495 4.92276 5.11778      2.2986   6.48683      2.31359  13.6687     351.74      19.8334     171.74      
1 1 1 6  22 18 o 16.6405 4.54445 1.99375      1.74344  -0.258318    1.76134  0.272988    347.693     13.2323     167.693     
1 1 1 6  22 19 o 80.6871 2.81846 36.046       3.33792  36.5523      3.63906  69.2695     60.1275     4.69394     60.1275     
1 1 1 6  22 20 o 32.0821 4.73893 4.79912      2.24517  7.62742      2.29872  25.0485     356.309     14.3653     356.309     
1 1 1 6  22 21 o 52.3298 3.40669 13.7016      2.77495  17.5253      2.58116  45.9754     272.97      7.7594      272.97      
1 1 1 6  22 22 o 55.3074 3.26326 14.9972      2.61348  19.8365      2.88246  45.2393     252.165     0.66396     252.164     
1 1 1 6  22 23 o 79.6187 2.98356 32.9462      3.6195   38.4312      3.65528  64.5704     335.421     2.62842     155.421     
1 1 1 6  22 24 o 53.2675 3.24302 15.3817      2.62077  16.889       2.64364  47.6981     217.082     9.21483     217.082     
1 1 1 6  22 25 o 116.723 2.75279 66.9994      4.88584  86.3501      4.9393   95.2823     26.6281     4.00736     206.628     
1 1 1 6  22 26 o 48.2371 3.92449 14.7733      2.75892  12.4669      2.92004  47.4055     173.55      17.1487     173.55      
1 1 1 6  22 27 o 39.6503 4.07367 7.62458      2.36237  11.1954      2.38998  30.1613     106.751     3.10491     286.751     
1 1 1 6  22 28 o 31.8229 4.71541 7.64386      2.24365  5.00667      2.24019  18.4707     336.327     12.672      156.327     
1 1 1 6  22 29 o 52.732  3.41233 14.5841      2.71336  17.817       2.74388  59.1289     248.752     34.9405     248.752     
1 1 1 6  22 30 o 17.5784 4.93215 1.74297      1.99616  0.942495     2.00849  5.13649     65.8655     3.22305     245.866     
1 1 1 6  22 31 o 27.4073 5.15068 6.03517      2.23544  3.718        2.28215  20.4359     102.596     3.15785     102.596     
1 1 1 6  22 32 o 16.9087 4.88171 1.84031      2.04592  0.0801689    2.08379  4.0808      353.217     3.94073     173.217     
1 1 1 6  22 33 o 47.6134 3.7483  13.4472      2.65695  13.8175      2.74644  48.8984     248.204     23.1862     248.204     
1 1 1 6  22 34 o 35.9958 4.58328 8.84743      2.44403  7.78728      2.44509  18.1289     304.221     20.5009     124.221     
1 1 1 6  22 35 o 29.4046 5.25841 5.01843      2.42809  6.97478      2.38705  19.4737     116.059     5.63073     296.06      
1 1 1 6  22 36 o 26.6015 5.70794 6.3083       2.5686   4.12366      2.63789  23.4277     253.845     9.93583     253.845     
1 1 1 6  22 37 o 38.4339 5.13649 8.86725      2.90569  11.6035      2.9365   35.8951     118.239     12.0353     118.239     
1 1 1 6  22 38 o 13.2875 4.34813 -1.10718     2.04136  -0.434644    2.16143  2.46858     208.978     4.01074     28.978      
1 1 1 6  22 39 o 35.3154 5.01878 6.37603      2.33828  11.6162      2.96772  26.4642     33.5289     1.72553     213.529     
1 1 1 6  22 40 o 18.8984 6.04626 1.27052      1.98545  3.84129      5.5852   10.4838     104.52      3.81265     284.52      
1 1 1 6  22 41 o 40.3851 3.94329 11.4155      2.48764  10.0536      2.28751  39.5434     87.2322     15.7743     87.2322     
1 1 1 6  22 42 o 15.3994 4.80493 1.22255      2.1123   0.321582     2.39503  7.27128     233.778     0.470931    53.7783     
1 1 1 6  22 43 o 18.4282 4.947   3.6726       1.99832  0.902816     2.20097  4.62634     125.913     17.2439     305.913     
1 1 1 6  22 44 o 16.6775 4.86759 2.43717      2.05466  1.19056      2.05084  6.18254     199.941     2.10766     199.941     
1 1 1 6  22 45 o 18.9002 5.10999 1.30646      2.09438  4.28928      2.26398  9.72266     135.153     4.06678     315.153     
1 1 1 6  22 46 o 18.041  5.04783 1.26223      2.1581   3.58495      2.16917  6.45133     125.516     3.87353     305.516     
1 1 1 6  22 47 o 15.0191 4.76761 0.952477     2.18202  0.973055     2.40513  1.72531     78.324      1.3627      258.324     
1 1 1 6  22 48 o 20.0531 5.40064 5.7643       2.49656  1.9627       2.51815  12.8948     238.638     1.95544     238.638     
1 1 1 6  22 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  23 0  o 31.1302 4.06673 5.85213      1.75361  5.85213      1.75361  12.7695     180         5.95373     180         
1 1 1 6  23 1  o 54.342  2.65734 15.9179      2.16818  16.8225      2.25204  33.3926     27.3549     20.7349     207.355     
1 1 1 6  23 2  o 97.573  2.21758 56.4258      3.42262  48.4678      3.22995  76.6596     251.124     8.91878     71.1236     
1 1 1 6  23 3  o 53.6906 2.6114  14.3021      2.07929  17.7344      2.2046   43.9433     31.1672     2.67917     31.1672     
1 1 1 6  23 4  o 54.8049 2.67708 14.3672      2.21949  19.1133      2.23569  39.6713     116.309     8.70685     296.309     
1 1 1 6  23 5  o 34.4118 3.2419  8.17248      1.64284  5.35265      1.63831  2.3899      230.322     49.1539     50.3224     
1 1 1 6  23 6  o 108.71  2.75555 63.5124      4.59096  67.3482      4.61741  102.624     39.3616     24.2345     39.3616     
1 1 1 6  23 7  o 41.5821 3.88503 6.35441      2.14007  14.1152      2.54283  35.3265     112.404     7.67462     112.404     
1 1 1 6  23 8  o 20.2053 4.82837 2.38677      1.74012  2.02996      1.8376   2.31819     322.998     19.3327     142.998     
1 1 1 6  23 9  o 39.2947 5.18838 8.10759      2.15781  10.2433      3.83028  33.6787     274.119     9.10278     274.119     
1 1 1 6  23 10 o 25.7077 4.96804 4.2455       1.85685  3.56305      2.2222   9.58148     295.624     16.3644     115.624     
1 1 1 6  23 11 f 23.223  4.76683 3.44936      1.81687  2.89111      1.80043  7.819       111.598     0           0           
1 1 1 6  23 12 o 84.5501 2.61865 40.4242      3.39661  38.8863      3.40451  78.4831     192.008     17.3652     192.008     
1 1 1 6  23 13 o 114.076 2.46356 72.1167      4.32045  71.9145      4.32458  95.4557     7.62105     0.78421     7.62103     
1 1 1 6  23 14 o 95.932  2.54168 49.9105      3.74654  52.1817      3.74812  91.2328     193.174     23.6178     193.174     
1 1 1 6  23 15 o 71.8136 3.08891 26.5773      3.37884  31.3711      3.40316  74.8078     111.201     32.824      111.201     
1 1 1 6  23 16 o 35.5701 4.56357 6.74046      2.39884  8.28263      2.4069   26.6092     182.734     19.1106     182.734     
1 1 1 6  23 17 o 28.0653 4.61596 7.64194      2.19449  2.07961      2.00877  4.24409     296.705     34.284      116.705     
1 1 1 6  23 18 o 17.2348 4.69582 -0.268087    1.8047   2.32004      1.93312  2.76435     166.891     26.9048     166.891     
1 1 1 6  23 19 o 23.306  5.1937  0.94288      2.57769  4.75436      2.09722  3.79197     199.616     42.3938     199.616     
1 1 1 6  23 20 o 52.4905 3.74764 16.6619      3.35896  15.0842      2.58967  53.0116     330.53      22.8805     330.53      
1 1 1 6  23 21 o 117.856 2.62158 76.7441      4.95139  78.3991      4.53709  108.958     45.1288     22.6566     45.1288     
1 1 1 6  23 22 o 70.3529 3.11791 28.0743      3.36268  28.0266      3.35896  61.0424     178.668     6.75398     178.668     
1 1 1 6  23 23 o 47.0696 3.66894 12.5199      2.69794  13.1873      2.51975  42.1107     285.418     8.57444     285.418     
1 1 1 6  23 24 o 29.9694 4.81756 2.16047      2.52781  9.07567      2.25911  26.8699     169.94      10.1412     169.94      
1 1 1 6  23 25 o 79.2819 3.15261 33.2981      3.81025  38.6889      3.84037  72.5099     181.703     15.1593     181.703     
1 1 1 6  23 26 o 25.9556 5.1786  4.04175      2.12109  4.58367      2.20104  11.4307     341.149     15.6572     161.149     
1 1 1 6  23 27 o 22.0272 5.26246 2.50372      2.11389  3.49363      2.15336  2.46155     9.01953     27.1966     189.02      
1 1 1 6  23 28 o 42.7237 3.90344 11.0834      2.47796  10.7434      2.53563  35.0773     263.294     3.19772     263.294     
1 1 1 6  23 29 o 12.5225 4.12039 -0.726388    1.89302  -2.1272      2.00807  0.116273    236.325     1.9775      236.325     
1 1 1 6  23 30 o 19.9251 5.16137 1.59848      2.09428  2.99418      2.11184  9.08683     26.0064     2.89929     206.006     
1 1 1 6  23 31 o 18.3497 5.10731 1.1818       2.13542  2.22878      2.13887  7.03113     272.147     2.00455     92.1467     
1 1 1 6  23 32 o 29.4134 5.4019  5.61558      2.34426  6.35334      2.59348  19.47       293.857     4.87133     113.857     
1 1 1 6  23 33 o 29.7551 5.46225 5.67183      2.60908  6.82288      2.46865  17.8328     342.244     9.59196     162.244     
1 1 1 6  23 34 o 50.491  3.71909 14.4963      2.80306  17.0542      2.88279  42.24       264.856     3.81293     264.856     
1 1 1 6  23 35 o 28.5225 5.90316 6.916        2.73774  5.46238      2.83137  16.0791     197.261     11.2226     17.2606     
1 1 1 6  23 36 o 29.5263 5.80705 7.8175       2.81173  5.52064      2.72955  26.783      129.359     18.885      129.359     
1 1 1 6  23 37 o 19.1828 5.27793 1.5157       2.23034  3.35292      2.33574  10.1412     168.3       3.96979     348.3       
1 1 1 6  23 38 o 18.9797 5.59481 3.1781       2.76009  1.41827      2.74313  11.4906     204.213     1.14092     24.2132     
1 1 1 6  23 39 o 20.377  5.2748  -0.00853566  2.42766  5.55286      2.54984  15.2885     222.614     8.49057     222.614     
1 1 1 6  23 40 o 18.4998 5.30476 4.23717      2.6338   0.224978     2.35684  11.9695     131.469     1.90888     131.469     
1 1 1 6  23 41 o 18.7854 5.65461 3.54276      2.71643  1.20663      3.30968  10.0384     123.837     4.02821     123.837     
1 1 1 6  23 42 o 12.9386 4.21852 -0.83834     2.14552  0.16864      1.81181  3.31263     303.307     3.02202     123.307     
1 1 1 6  23 43 f 21.7336 5.13254 2.19022      2.28086  5.44537      2.1363   9.72488     232.399     0           0           
1 1 1 6  23 44 o 17.5142 4.82446 0.0803797    2.08046  3.84527      2.07949  5.5813      328.561     1.04645     148.561     
1 1 1 6  23 45 o 14.8946 4.71863 1.18432      2.08135  0.41116      2.43811  1.92491     110.303     3.06972     290.303     
1 1 1 6  23 46 o 14.4151 4.65321 0.410524     2.09404  1.22401      2.47821  3.39779     276.43      3.22757     96.4304     
1 1 1 6  23 47 o 16.6383 5.07427 2.70794      2.27427  1.79395      2.52374  9.12102     90.1178     0.082863    90.1178     
1 1 1 6  23 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  24 0  o 24.1477 4.59909 3.85274      1.47776  3.85274      1.47776  8.81459     180         2.44368     180         
1 1 1 6  24 1  o 42.8468 2.9288  12.7036      1.87327  8.14223      1.85986  24.0171     180.953     19.8217     0.953295    
1 1 1 6  24 2  o 73.3173 2.35271 30.8591      2.64299  28.6313      2.65226  56.2293     127.837     7.59911     307.837     
1 1 1 6  24 3  o 36.8893 3.32109 6.67915      1.82454  8.85133      1.82684  1.49069     40.7592     61.8967     40.7592     
1 1 1 6  24 4  o 43.546  3.52207 7.98922      2.2374   13.9608      2.22093  32.7201     1.49017     2.56588     181.49      
1 1 1 6  24 5  o 72.2266 2.89395 29.4038      2.77599  28.8169      3.56976  72.2331     115.489     27.3852     115.489     
1 1 1 6  24 6  o 17.9899 5.48506 1.96337      3.28035  -2.02199     2.35386  0.711314    108.969     21.2387     108.969     
1 1 1 6  24 7  o 38.3413 3.96519 8.54898      2.14406  8.44391      2.38891  28.2153     285.739     1.96129     105.739     
1 1 1 6  24 8  f 33.0228 4.13131 6.80035      2.0268   5.96635      2.01754  18.3441     199.801     0           0           
1 1 1 6  24 9  o 55.9775 3.05495 14.968       2.57801  20.4604      2.59527  49.7904     136.968     10.1644     136.968     
1 1 1 6  24 10 o 76.4265 2.68764 32.3411      3.14946  32.7689      3.15669  71.1725     271.5       17.7677     271.5       
1 1 1 6  24 11 f 60.6054 2.97181 23.0132      2.74168  18.3692      2.74096  54.4681     86.4134     0           0           
1 1 1 6  24 12 o 18.5795 4.54246 -1.62116     1.77934  3.91075      2.0892   0.806373    11.1596     25.1299     11.1596     
1 1 1 6  24 13 o 30.8138 4.84864 7.96229      2.28957  3.71197      2.29123  23.9595     245.127     6.8476      245.127     
1 1 1 6  24 14 o 83.1721 3.1291  38.8026      3.78937  39.1474      4.18726  69.0356     96.2315     1.90464     96.2315     
1 1 1 6  24 15 o 68.1377 3.97643 30.548       3.12015  23.1403      4.63306  53.6214     294.508     3.45763     114.508     
1 1 1 6  24 16 o 71.0806 3.45864 25.711       3.06036  32.0473      4.44471  68.2215     332.968     21.203      332.968     
1 1 1 6  24 17 o 28.2571 5.08197 5.24778      2.21987  4.60859      2.21773  16.6741     4.88598     8.14161     184.886     
1 1 1 6  24 18 o 21.7555 5.2358  2.83166      2.23264  2.67694      1.96583  9.75751     90.0789     10.0822     270.079     
1 1 1 6  24 19 o 44.7704 3.93165 9.83918      2.68697  13.7568      2.48746  27.0733     125.478     17.8311     305.478     
1 1 1 6  24 20 o 32.251  4.59389 7.06046      2.2273   5.66572      2.17797  27.6194     293.756     6.49032     293.756     
1 1 1 6  24 21 o 66.8365 3.22012 21.7147      3.22138  29.7535      3.31109  51.083      304.858     6.54975     124.858     
1 1 1 6  24 22 o 83.6382 2.85717 39.4932      3.81246  39.8846      3.51655  87.2033     276.552     38.54       276.552     
1 1 1 6  24 23 o 63.2397 3.26351 25.7891      3.35807  20.5212      2.95624  47.7244     294.359     6.70401     114.359     
1 1 1 6  24 24 o 46.7187 4.54015 13.5247      2.94861  13.2214      3.37784  41.926      228.99      10.8182     228.99      
1 1 1 6  24 25 o 74.9698 2.89234 32.6236      3.31928  31.61        3.33258  73.9401     72.5716     27.1273     72.5716     
1 1 1 6  24 26 o 45.2329 4.01293 13.3355      2.92147  11.3192      2.55012  39.4544     100.4       8.51184     100.4       
1 1 1 6  24 27 o 15.3133 4.75812 -0.503509    2.34964  0.469146     2.02279  1.07865     41.8823     13.2037     221.882     
1 1 1 6  24 28 o 50.3327 3.58317 17.1793      2.72654  13.1442      2.70412  44.7399     130.996     10.2311     130.996     
1 1 1 6  24 29 o 25.4005 5.43371 5.34069      2.39014  3.56348      2.28105  19.0295     333.546     6.37824     333.546     
1 1 1 6  24 30 o 20.4983 5.33259 1.69104      2.30636  3.56479      2.2472   11.917      35.9764     1.20309     35.9764     
1 1 1 6  24 31 o 48.3869 4.04358 13.5668      3.00508  15.834       2.85981  38.6297     21.739      0.652418    21.7392     
1 1 1 6  24 32 o 51.1173 3.74209 16.0573      2.8763   16.3384      2.92979  52.8524     76.5186     25.1099     76.5186     
1 1 1 6  24 33 o 16.0954 4.90443 1.14778      2.22704  0.508606     2.19523  1.08872     236.806     24.7032     236.806     
1 1 1 6  24 34 o 40.2827 5.13715 12.6758      3.03431  10.0801      3.07662  30.1711     18.6013     2.05959     198.601     
1 1 1 6  24 35 o 37.4877 4.86577 8.68209      2.70469  10.8906      2.68757  31.4765     237.226     5.59688     237.226     
1 1 1 6  24 36 o 16.2511 5.00346 0.0267843    2.25347  1.95099      2.4821   7.61621     195.221     4.50505     15.2205     
1 1 1 6  24 37 o 17.7391 5.2324  4.0911       2.69313  -1.67411     2.63801  9.19301     96.2387     4.37705     96.2387     
1 1 1 6  24 38 o 14.5921 4.72801 -0.362359    2.39435  0.417958     2.41466  4.17652     92.6431     9.89943     272.643     
1 1 1 6  24 39 o 16.3618 5.01909 3.50031      2.67847  -1.73805     2.34428  6.2946      113.253     8.20586     293.253     
1 1 1 6  24 40 o 20.3854 5.97843 1.50337      2.86004  6.05701      3.4452   13.5751     92.2675     2.46168     92.2675     
1 1 1 6  24 41 o 17.2185 5.11871 -0.294573    2.53976  3.60845      2.44089  7.8567      259.216     5.18643     79.216      
1 1 1 6  24 42 o 16.792  5.1169  2.33916      2.38778  1.24935      2.45656  5.30416     263.53      5.96702     83.5295     
1 1 1 6  24 43 o 17.3495 5.22179 1.73334      2.45178  2.67577      2.46098  4.16768     41.9199     1.9024      221.92      
1 1 1 6  24 44 o 14.0896 4.61785 0.43243      2.37071  0.248747     2.3997   1.99798     173.397     2.4633      353.397     
1 1 1 6  24 45 o 11.032  3.80927 -2.80287     1.60448  -0.0028776   2.31223  0.885904    294.446     6.44519     114.446     
1 1 1 6  24 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  25 0  o 187.592 2.26327 193.334      6.53364  193.334      6.53364  201.388     180         92.5884     180         
1 1 1 6  25 1  o 108.4   2.33032 66.358       4.13947  63.9531      3.62157  102.384     346.484     27.405      346.484     
1 1 1 6  25 2  o 51.9626 2.69616 15.027       2.17356  15.2118      2.11007  49.4824     210.186     17.5918     210.186     
1 1 1 6  25 3  o 15.533  4.20757 1.04         1.3968   1.00293      1.41884  0.296459    227.306     9.38962     47.3064     
1 1 1 6  25 4  o 41.7535 2.95966 9.86723      1.88262  9.83337      1.87198  32.8147     215.033     1.22653     215.033     
1 1 1 6  25 5  o 42.689  3.37797 9.33997      2.08198  11.5265      2.27981  28.4046     327.679     9.94364     147.679     
1 1 1 6  25 6  o 39.5634 4.07832 8.29588      2.2296   10.0346      2.59833  25.4037     15.9938     10.4037     195.994     
1 1 1 6  25 7  o 24.6169 4.3652  6.15246      1.88238  0.972593     1.88711  13.447      115.394     4.2563      295.394     
1 1 1 6  25 8  o 76.5687 2.77142 34.7986      3.25694  30.9233      3.24795  72.1676     355.514     20.5536     355.514     
1 1 1 6  25 9  o 92.0808 2.71613 48.81        3.69376  46.047       3.97458  88.8067     60.6308     27.8001     60.6308     
1 1 1 6  25 10 o 52.8508 3.27575 16.0732      2.54954  15.7073      2.72204  56.5345     306.641     30.8132     306.641     
1 1 1 6  25 11 o 91.5117 2.93036 46.5679      3.68498  47.6391      4.51393  99.1408     28.0577     49.8143     28.0577     
1 1 1 6  25 12 o 100.542 2.94484 59.2832      4.72935  54.6048      4.37133  98.56       245.944     33.195      245.944     
1 1 1 6  25 13 o 30.7491 5.04782 6.03418      2.342    5.66125      2.34717  21.7273     9.04436     2.41723     189.044     
1 1 1 6  25 14 o 68.5592 3.04899 26.3396      3.30771  26.9481      3.08976  66.8343     122.85      22.9804     122.85      
1 1 1 6  25 15 o 19.7308 5.00722 2.71755      1.92948  1.4342       2.01391  10.4235     22.9016     4.15256     202.902     
1 1 1 6  25 16 o 24.1663 5.23664 2.96962      2.13168  4.30504      2.17722  15.8117     306.925     1.81306     126.925     
1 1 1 6  25 17 o 57.378  3.37363 15.9619      2.98444  22.2433      2.80699  49.7467     127.844     7.66763     127.844     
1 1 1 6  25 18 o 55.9677 3.25504 16.8945      2.76717  19.2292      2.78435  48.5146     280.181     7.8133      280.181     
1 1 1 6  25 19 o 16.7756 4.68978 -0.364083    1.87081  2.22927      1.9346   4.19542     298.194     4.31371     118.194     
1 1 1 6  25 20 f 21.2678 5.30043 3.12394      2.15341  2.28161      2.19195  16.5733     322.908     0           0           
1 1 1 6  25 21 o 58.2304 3.50862 19.8071      3.10297  19.862       3.12936  46.514      4.26564     0.377365    4.26576     
1 1 1 6  25 22 o 23.4412 5.76877 4.28029      2.45291  2.51122      2.80708  7.53341     20.7119     17.8248     200.712     
1 1 1 6  25 23 o 53.0498 4.16087 17.4664      3.13882  16.5665      3.50948  54.8818     294.611     27.6882     294.611     
1 1 1 6  25 24 o 41.6408 4.44612 10.9489      2.54418  10.5749      2.94566  34.6972     30.879      5.62339     30.879      
1 1 1 6  25 25 o 49.6585 3.65269 15.755       2.73847  13.805       2.75177  43.4083     22.0768     9.19743     22.0768     
1 1 1 6  25 26 f 14.2856 4.50707 -0.0950778   1.98     -0.231105    2.05174  14.9532     64.5208     0           0           
1 1 1 6  25 27 o 19.8485 5.18337 1.12987      2.17997  3.56443      2.19825  8.43019     291.346     9.09632     111.346     
1 1 1 6  25 28 o 14.2846 4.43281 -2.65318     2.05886  1.52657      2.04182  3.30365     53.8978     3.28163     233.898     
1 1 1 6  25 29 o 26.9107 5.47127 5.2515       2.36577  5.24217      2.41052  19.4584     3.61717     0.423638    183.617     
1 1 1 6  25 30 o 28.2479 5.44221 6.64968      2.42402  4.95504      2.49704  26.2602     275.993     14.1163     275.993     
1 1 1 6  25 31 o 16.9465 4.94884 -0.196957    2.17513  2.55674      2.22127  4.72024     40.2445     0.757634    40.2445     
1 1 1 6  25 32 f 30.1568 5.31818 8.75032      2.52712  4.74753      2.58762  17.2621     194.235     0           0           
1 1 1 6  25 33 o 35.0721 5.5985  8.32062      2.94275  10.2328      2.97456  32.0703     10.1557     11.9883     10.1557     
1 1 1 6  25 34 o 19.4115 5.63152 3.54854      2.74341  1.68969      2.72374  11.3127     288.161     3.48457     108.161     
1 1 1 6  25 35 o 18.9509 5.51864 3.77895      2.75802  1.20307      2.54444  12.7252     330.116     3.95384     330.116     
1 1 1 6  25 36 o 16.5576 5.34292 0.677457     3.34257  0.965119     2.73238  8.02226     217.467     3.15358     37.4674     
1 1 1 6  25 37 o 24.2657 5.79858 3.48479      2.69476  6.84139      2.72181  19.4312     233.535     6.68733     233.535     
1 1 1 6  25 38 o 14.8073 4.69355 -4.57281     2.90485  2.43613      2.32587  5.02981     188.987     6.86747     8.98741     
1 1 1 6  25 39 o 16.4862 5.18967 -2.25278     3.00287  3.4588       2.8215   7.02783     161.81      3.6253      341.81      
1 1 1 6  25 40 o 18.0364 5.30506 3.96718      2.57919  0.680282     2.52509  3.96277     280.046     0.21635     280.046     
1 1 1 6  25 41 o 16.6572 5.15492 2.04057      2.54856  1.51425      2.48786  3.94168     29.3146     5.34062     209.315     
1 1 1 6  25 42 o 13.1052 4.4166  -2.13848     2.6436   0.20599      2.39365  1.09983     37.044      3.46278     217.044     
1 1 1 6  25 43 o 17.3017 5.25205 2.43928      2.52528  2.98355      2.5079   8.17123     140.392     4.00959     320.392     
1 1 1 6  25 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  26 0  o 14.2669 5.22559 1.71317      1.48175  1.71317      1.48175  2.22116     0.000113064 5.49245     180         
1 1 1 6  26 1  o 74.0847 2.40791 30.8972      2.73583  30.3434      2.74322  51.8825     263.295     15.9436     83.2945     
1 1 1 6  26 2  o 17.2049 4.28058 2.43925      1.48412  0.351833     1.54119  0.459102    58.9997     22.18       239         
1 1 1 6  26 3  f 12.8578 3.73611 -2.21555     1.37206  1.40905      1.407    12.8503     47.1001     0           0           
1 1 1 6  26 4  o 41.4007 3.2452  9.38529      2.13258  10.2733      1.90918  35.3641     199.944     6.31239     199.944     
1 1 1 6  26 5  o 29.8078 4.41757 6.66625      2.10599  4.20945      1.83691  18.1049     349.093     8.82807     169.093     
1 1 1 6  26 6  o 74.8226 3.09008 33.575       3.88885  30.0227      3.19467  64.0352     29.6694     7.38912     29.6695     
1 1 1 6  26 7  o 28.8784 5.06684 4.45466      2.46426  5.91624      2.07357  22.3821     33.5073     2.55758     33.5073     
1 1 1 6  26 8  o 17.3803 4.76091 1.26065      1.82017  1.44265      1.81476  5.84761     159.135     9.59241     339.135     
1 1 1 6  26 9  o 14.7099 4.38972 -0.244075    1.72974  0.847137     1.7228   2.73667     154.039     8.77054     334.039     
1 1 1 6  26 10 o 46.7959 4.30753 12.7123      3.40185  13.4461      2.51346  40.4148     43.7839     7.51601     43.7839     
1 1 1 6  26 11 o 19.8235 5.22412 2.38763      2.1499   1.80228      2.13347  9.47314     231.039     4.12364     51.0385     
1 1 1 6  26 12 o 17.637  4.99652 1.76794      2.07526  0.645792     2.09443  2.81542     299.167     16.7526     119.167     
1 1 1 6  26 13 o 35.8199 4.31057 6.80215      2.28061  8.82583      2.28052  32.1071     135.562     11.3374     135.562     
1 1 1 6  26 14 o 19.2117 4.90643 3.09974      1.92329  0.58802      2.05298  2.77912     98.2432     20.0143     278.243     
1 1 1 6  26 15 o 47.0225 3.83672 12.9819      2.71836  13.2621      2.73604  44.3848     54.3157     16.4477     54.3157     
1 1 1 6  26 16 o 21.4324 5.24564 3.53463      2.13799  1.97817      2.16568  5.18476     60.3126     18.9601     240.313     
1 1 1 6  26 17 o 45.8738 3.91113 14.1259      2.55307  11.0651      2.76987  32.7054     75.4503     6.01146     255.45      
1 1 1 6  26 18 o 17.0061 4.95909 0.683924     1.95947  1.35156      2.24178  3.87825     179.18      6.65416     359.18      
1 1 1 6  26 19 o 76.0925 3.27371 34.5415      3.40228  32.6904      4.15578  70.3467     155.769     19.8154     155.769     
1 1 1 6  26 20 o 17.8107 5.10661 1.34807      2.12951  1.38731      2.23431  2.85675     278.328     0.938289    98.3284     
1 1 1 6  26 21 o 12.0233 4.03947 -2.96514     2.23337  -1.27297     1.89204  0.521214    55.2216     5.17929     55.2217     
1 1 1 6  26 22 o 53.1092 4.04486 16.4708      3.24788  18.1445      3.25553  49.2319     291.73      15.8937     291.73      
1 1 1 6  26 23 o 40.4405 4.69199 11.1775      2.57941  9.93185      2.99869  36.0773     287.127     11.0642     287.127     
1 1 1 6  26 24 o 14.7294 4.59338 -1.40135     2.19922  1.04556      2.0395   1.14669     19.0682     14.8268     199.068     
1 1 1 6  26 25 o 23.0419 5.44706 4.33975      2.25317  3.13146      2.34935  12.8508     74.4327     6.59505     254.433     
1 1 1 6  26 26 o 23.0506 5.37411 2.39349      2.28011  5.12632      2.34038  12.9741     79.8722     7.01437     259.872     
1 1 1 6  26 27 o 16.1177 4.87595 1.37585      2.12011  0.294053     2.22923  5.01517     172.705     10.0769     352.705     
1 1 1 6  26 28 o 16.765  4.89029 2.66612      2.19613  -0.691996    2.19288  4.92275     230.891     0.539843    230.891     
1 1 1 6  26 29 o 22.0532 5.72039 3.61091      2.53298  3.73091      2.55366  9.86559     2.14085     10.6138     182.141     
1 1 1 6  26 30 o 17.5763 5.36943 -0.317535    2.25203  3.31798      3.08725  7.18134     24.5545     7.25249     204.555     
1 1 1 6  26 31 o 51.8966 5.76934 23.3511      3.55105  16.9901      4.7338   45.177      82.2627     9.9261      82.2627     
1 1 1 6  26 32 o 55.6952 6.63174 23.3232      3.95992  28.4139      6.5463   51.8161     39.0634     17.3725     39.0634     
1 1 1 6  26 33 o 17.5836 5.32158 1.99123      2.26737  1.65538      2.92443  9.6712      90.7421     2.09405     270.742     
1 1 1 6  26 34 o 25.7832 5.95236 6.9231       2.74691  4.84182      2.81174  18.1183     99.587      0.277496    279.587     
1 1 1 6  26 35 o 28.1519 6.14159 8.25331      3.05232  6.15731      2.84378  21.4878     64.2582     2.82475     64.2582     
1 1 1 6  26 36 o 19.2046 5.59091 2.43211      2.61427  3.74787      2.74027  11.686      228.449     0.878047    228.449     
1 1 1 6  26 37 o 21.1077 5.63417 1.92765      2.94481  5.63895      2.58339  11.6444     198.701     3.94531     18.7007     
1 1 1 6  26 38 o 21.3071 6.00586 3.53169      2.92899  5.30573      3.04766  10.8965     151.212     0.375921    151.212     
1 1 1 6  26 39 o 16.3476 5.12506 0.612981     2.48388  2.44779      2.67504  3.06977     257.043     2.91332     77.0431     
1 1 1 6  26 40 o 23.4191 5.8401  6.47507      2.63015  4.64058      2.74616  15.0521     165.206     0.672906    165.206     
1 1 1 6  26 41 o 16.0338 5.0409  1.24127      2.41912  2.57615      2.58768  4.0469      83.0085     0.721185    83.0085     
1 1 1 6  26 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  27 0  o 16.4991 5.56842 2.32885      1.62     2.32885      1.62     4.96106     180         5.25561     7.69306e-05 
1 1 1 6  27 1  o 31.3063 4.26248 5.44256      1.80755  6.53883      2.15652  23.5075     284.379     17.2924     284.379     
1 1 1 6  27 2  o 43.2417 3.52242 10.3914      2.4115   11.492       2.15867  36.8623     254.499     7.53568     254.499     
1 1 1 6  27 3  o 52.4395 2.89296 16.0722      2.39404  15.3323      2.24117  46.0626     306.072     10.3628     306.072     
1 1 1 6  27 4  o 18.3276 4.66835 1.83953      1.79836  1.86851      1.57318  5.24261     86.8592     10.624      266.859     
1 1 1 6  27 5  o 23.4099 5.30519 3.71077      1.64175  2.80861      2.98038  13.3553     359.066     2.23266     179.066     
1 1 1 6  27 6  f 33.1002 4.79464 7.61876      2.50936  6.15975      2.21896  26.7085     40.7593     0           0           
1 1 1 6  27 7  o 21.6695 5.05762 3.45507      1.9888   2.32293      1.97231  11.0458     263.147     0.199895    263.147     
1 1 1 6  27 8  o 83.6284 2.78264 39.7806      3.57934  39.7624      3.56744  76.1435     353.901     19.3399     353.901     
1 1 1 6  27 9  o 40.1859 4.67327 8.34801      2.75832  11.7984      2.76489  36.5822     108.415     13.6372     108.415     
1 1 1 6  27 10 o 31.2136 5.3752  5.92919      2.55357  6.7919       2.57104  24.5165     259.205     5.6999      259.205     
1 1 1 6  27 11 o 55.0135 3.36966 15.5384      2.78773  19.8488      2.83076  43.2928     118.33      0.629996    118.33      
1 1 1 6  27 12 o 24.1433 5.62709 4.44805      2.37985  3.04227      2.554    12.5181     317.384     6.50822     137.384     
1 1 1 6  27 13 o 29.1209 5.41231 4.7558       2.63313  6.40716      2.35402  14.1452     197.172     13.9643     17.1723     
1 1 1 6  27 14 o 68.246  3.14455 29.3507      3.40592  24.6819      3.16479  59.8446     185.893     12.3925     185.893     
1 1 1 6  27 15 o 61.3457 3.17324 19.6025      2.94223  24.2908      2.98534  49.6232     53.4616     3.08711     53.4617     
1 1 1 6  27 16 o 12.3528 4.04187 -2.69145     1.89582  -0.117839    1.85884  3.79345     214.572     19.229      214.572     
1 1 1 6  27 17 o 20.0844 5.20978 2.33402      2.08235  2.58496      2.13752  8.65837     10.9908     6.30842     190.991     
1 1 1 6  27 18 o 45.4973 3.88179 13.0647      2.66073  12.2467      2.66512  47.7328     67.6946     27.5857     67.6946     
1 1 1 6  27 19 o 32.277  5.2154  5.75079      2.54497  8.49125      2.56665  23.3779     39.2541     0.542853    219.254     
1 1 1 6  27 20 o 38.109  4.49228 7.10923      2.47369  11.8211      2.51091  39.8277     106.399     24.9882     106.399     
1 1 1 6  27 21 o 37.143  5.31144 5.53428      2.95597  14.2686      3.0178   20.156      5.28565     16.5686     185.286     
1 1 1 6  27 22 o 17.2845 5.19235 1.64212      2.14275  0.550532     2.78581  7.48213     115.532     1.02934     115.532     
1 1 1 6  27 23 o 29.8153 5.42853 5.90112      2.40393  6.92162      2.61432  23.5405     205.589     3.6124      205.589     
1 1 1 6  27 24 o 20.1097 5.36542 1.68733      2.20673  3.71058      2.41343  12.1226     292.71      0.010442    292.715     
1 1 1 6  27 25 o 16.4199 5.02989 1.02403      2.18378  0.799758     2.51748  5.98485     157.96      5.06299     337.961     
1 1 1 6  27 26 o 24.2501 5.85632 5.339        2.59494  3.88848      2.74457  17.6057     247.116     5.54569     247.116     
1 1 1 6  27 27 o 17.3812 5.21002 1.27887      2.25746  1.85453      2.57121  7.52264     72.3373     0.792638    72.3373     
1 1 1 6  27 28 o 38.5113 4.81206 12.2242      2.72985  8.68903      2.72023  34.4036     141.75      10.7862     141.75      
1 1 1 6  27 29 o 24.0105 5.26145 6.96483      2.43008  1.78608      2.50676  16.9352     185.228     0.326243    5.22749     
1 1 1 6  27 30 o 12.7974 4.33837 -0.864697    2.43853  -2.88814     2.52019  1.35823     358.088     0.476138    178.088     
1 1 1 6  27 31 o 18.61   5.5164  1.01446      2.71253  3.72966      2.76527  10.2112     177.89      2.61148     357.89      
1 1 1 6  27 32 o 15.5372 4.92425 0.82764      2.33338  0.769647     2.53919  5.65258     179.174     0.171937    359.174     
1 1 1 6  27 33 o 16.1724 5.0863  0.845624     2.53704  1.63432      2.56523  7.25137     295.348     1.61497     115.348     
1 1 1 6  27 34 o 13.1786 4.43143 -1.40219     2.43224  -0.630974    2.47906  2.85672     34.6805     3.3283      214.681     
1 1 1 6  27 35 o 21.2157 5.70521 5.72061      2.70407  2.32878      2.77431  11.4353     205.051     3.3178      205.051     
1 1 1 6  27 36 o 21.2424 5.7018  6.63884      2.94057  1.52617      2.60477  9.77208     185.346     3.92587     5.34635     
1 1 1 6  27 37 o 19.3616 5.51078 -1.15944     2.88854  6.47274      3.0019   8.03162     259.386     1.00305     79.3855     
1 1 1 6  27 38 o 24.5938 5.99841 7.39148      2.67772  5.47071      3.15142  17.9102     286.622     6.55234     286.622     
1 1 1 6  27 39 o 17.0377 5.22722 3.37713      2.51544  1.54886      2.69051  8.26913     230.612     1.24225     230.612     
1 1 1 6  27 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  28 0  o 25.1168 5.44837 4.50861      1.8419   4.50861      1.8419   19.4689     180         8.18741     180         
1 1 1 6  28 1  o 43.2304 3.64981 8.59769      2.37663  13.8213      2.17167  36.2984     347.304     7.61626     347.304     
1 1 1 6  28 2  o 16.6583 4.52884 2.25405      1.73921  0.0431117    1.72174  1.36891     317.803     15.6801     137.803     
1 1 1 6  28 3  o 52.0929 3.17153 13.2627      2.57394  18.4301      2.34414  40.9226     40.5979     1.55557     40.5978     
1 1 1 6  28 4  o 26.4941 4.8469  5.33652      2.02837  3.73176      1.99492  17.6313     224.625     0.781556    224.625     
1 1 1 6  28 5  o 17.7845 5.06971 1.44899      1.91987  1.30258      2.36693  3.67186     201.717     2.07295     21.7166     
1 1 1 6  28 6  o 66.6474 3.13538 26.582       3.20706  24.9766      3.1898   55.365      59.3243     6.69741     59.3243     
1 1 1 6  28 7  o 19.1345 4.93311 3.33072      2.02663  0.482549     2.02178  6.34843     27.7509     9.05424     207.751     
1 1 1 6  28 8  o 46.3263 4.47163 10.4584      3.00947  16.5146      3.03779  35.0122     62.4263     0.659361    242.426     
1 1 1 6  28 9  o 40.0896 4.80638 8.37421      2.81327  12.3081      2.84533  33.8667     171.832     8.28471     171.832     
1 1 1 6  28 10 o 45.9797 3.9254  15.4806      2.66689  10.4406      2.66124  39.7725     8.61982     9.84126     8.61982     
1 1 1 6  28 11 o 19.8766 5.18251 1.82162      2.08104  2.94446      2.14069  8.86351     298.256     0.850966    118.256     
1 1 1 6  28 12 o 17.3006 4.98532 1.73768      2.10356  0.890592     2.10488  1.35523     321.73      19.0999     141.73      
1 1 1 6  28 13 f 14.0163 4.46221 -0.422443    1.97579  -0.204691    2.07211  11.423      187.906     0           0           
1 1 1 6  28 14 o 42.8501 4.03981 10.4646      2.57619  12.442       2.6027   26.7639     101.88      12.1556     281.88      
1 1 1 6  28 15 o 66.1468 3.20434 23.6815      3.21665  28.3478      3.25047  64.725      254.553     26.7089     254.553     
1 1 1 6  28 16 o 17.5839 4.89134 2.96502      2.09555  -0.259391    2.1071   7.85299     322.613     3.56905     142.613     
1 1 1 6  28 17 o 46.9677 4.01911 14.6135      2.92582  13.1862      2.76972  47.3203     124.599     23.3457     124.599     
1 1 1 6  28 18 o 17.5211 5.12554 0.911104     2.24556  2.03888      2.29622  8.09628     262.946     5.39621     82.946      
1 1 1 6  28 19 o 14.4716 4.60826 -3.01212     2.66257  1.04682      2.07458  4.28039     44.6929     4.93115     224.693     
1 1 1 6  28 20 o 46.932  5.28342 15.3338      4.25637  15.2381      2.85488  40.5375     122.723     9.7135      122.723     
1 1 1 6  28 21 o 16.4845 5.08096 0.750834     2.26094  1.0221       2.58169  5.80418     5.45329     2.04398     185.453     
1 1 1 6  28 22 o 12.4443 4.14841 -1.98545     2.03836  -0.716543    2.10318  0.536009    106.285     7.59943     286.285     
1 1 1 6  28 23 o 37.6684 5.2473  8.49318      3.10551  11.9926      2.71065  30.3264     247.091     4.64906     247.091     
1 1 1 6  28 24 f 13.1113 4.29839 0.434898     2.11891  -2.55846     2.16253  9.37037     25.7896     0           0           
1 1 1 6  28 25 o 55.0157 3.71481 21.2334      3.04524  17.5304      3.12444  50.2596     170.077     15.9252     170.077     
1 1 1 6  28 26 o 26.3017 5.57902 6.91728      2.49344  4.2558       2.56395  19.3788     172.442     1.25479     172.442     
1 1 1 6  28 27 o 18.946  5.25287 4.11795      2.38291  0.673116     2.42177  10.9594     0.592902    2.14477     180.593     
1 1 1 6  28 28 o 14.5499 4.67733 0.972001     2.274    -0.765815    2.38078  4.72694     96.428      6.14517     276.428     
1 1 1 6  28 29 o 19.2999 5.65594 1.26835      3.01152  4.20842      2.76949  9.31551     253.988     6.34537     73.9878     
1 1 1 6  28 30 o 21.7901 5.77177 3.29237      2.49467  5.3035       2.77625  13.3337     343.205     2.08256     163.205     
1 1 1 6  28 31 o 16.4155 5.0518  2.62048      2.39618  -0.0161454   2.58863  6.64978     344.351     0.724497    344.351     
1 1 1 6  28 32 o 23.1573 6.01489 5.51231      2.78574  4.89545      2.86054  13.623      79.1294     2.37179     259.129     
1 1 1 6  28 33 o 13.9331 4.58574 -1.09562     2.37157  0.637864     2.43888  0.777135    58.4512     3.8506      238.451     
1 1 1 6  28 34 o 39.6101 5.8744  15.2869      3.19026  11.7531      3.74758  34.7377     291.265     13.6845     291.265     
1 1 1 6  28 35 o 11.5739 4.0472  -3.06789     2.62265  -3.23188     2.69361  0.423856    111.026     6.67265     111.026     
1 1 1 6  28 36 o 17.2417 5.51202 3.21177      2.88299  1.98678      3.54541  4.43099     91.5719     0.91765     91.5719     
1 1 1 6  28 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  28 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  29 0  o 30.8047 5.48254 6.52095      2.24919  6.52095      2.24919  20.5813     360         7.30396     180         
1 1 1 6  29 1  o 21.4177 4.91096 3.76219      1.88517  2.28436      1.89573  9.4991      77.5354     9.25027     257.535     
1 1 1 6  29 2  o 32.067  4.56728 5.90999      2.18305  7.5009       2.16914  17.962      25.9305     11.4115     205.931     
1 1 1 6  29 3  o 46.0581 3.50029 11.6934      2.52251  13.9408      2.30688  40.2947     57.0183     10.9851     57.0184     
1 1 1 6  29 4  o 16.835  4.77372 0.410593     1.96329  2.09881      1.91641  3.83086     45.479      12.3991     225.479     
1 1 1 6  29 5  o 50.8721 3.68813 15.8762      2.8507   15.7119      2.84589  51.6219     142.946     26.5021     142.946     
1 1 1 6  29 6  o 26.3432 5.4889  3.52083      2.68128  6.23928      2.33334  19.0452     107.017     2.65021     107.017     
1 1 1 6  29 7  o 41.5157 4.85767 10.483       2.98714  12.365       2.98969  36.2573     55.6175     10.5592     55.6175     
1 1 1 6  29 8  o 18.5872 5.33039 2.71673      2.16419  0.132528     2.97508  6.09075     307.668     11.7382     127.668     
1 1 1 6  29 9  o 60.2086 3.48696 20.3689      3.10691  23.6528      3.29954  58.1218     34.8448     23.7312     34.8448     
1 1 1 6  29 10 o 21.9101 5.43406 3.66698      2.23227  3.06664      2.32148  13.7444     28.3302     0.989692    208.33      
1 1 1 6  29 11 o 20.8039 5.36965 2.14187      2.26531  3.7095       2.2856   8.57648     282.214     4.94494     282.214     
1 1 1 6  29 12 o 47.1874 4.10323 12.628       2.9541   15.7158      2.80789  35.013      84.2144     2.16939     264.214     
1 1 1 6  29 13 o 14.5958 4.52272 -1.44585     2.03262  1.39958      2.04521  4.38902     311.918     3.5146      131.918     
1 1 1 6  29 14 o 40.2425 4.37628 10.038       2.61412  11.1071      2.63033  34.108      39.0079     8.06203     39.0079     
1 1 1 6  29 15 o 18.5906 5.18851 2.36208      2.18884  1.86879      2.20301  9.31493     178.606     1.45767     358.606     
1 1 1 6  29 16 o 17.0414 5.00623 1.73757      2.13515  1.10924      2.20995  6.5653      290.023     4.47332     110.023     
1 1 1 6  29 17 o 15.523  4.83968 0.656543     2.24516  0.420075     2.2694   2.0238      200.359     0.828506    20.3592     
1 1 1 6  29 18 o 26.972  5.70145 6.37628      2.56402  4.94971      2.58357  15.7975     269.534     6.50885     89.5342     
1 1 1 6  29 19 o 26.0382 5.71971 3.59563      2.85688  7.05318      2.58768  18.3808     20.9575     0.945662    20.9575     
1 1 1 6  29 20 o 25.7395 6.39838 6.05196      2.91526  5.66996      3.45685  18.0647     217.343     0.714999    217.343     
1 1 1 6  29 21 o 21.5484 5.55096 3.10117      2.37146  4.2142       2.4353   12.5876     341.161     4.44176     161.161     
1 1 1 6  29 22 o 12.536  4.18026 -2.77481     2.14078  -0.00776416  2.14692  1.96608     114.597     0.825049    294.597     
1 1 1 6  29 23 o 24.1165 5.36533 6.9539       2.46998  2.25287      2.51445  17.0851     288.245     1.02254     288.245     
1 1 1 6  29 24 o 24.6237 5.36665 7.40201      2.51626  2.39749      2.50941  4.2356      272.121     27.4857     92.1213     
1 1 1 6  29 25 o 14.2131 4.71624 0.327908     2.70221  -1.4992      2.53514  3.14751     2.07865     9.59875     182.079     
1 1 1 6  29 26 o 19.8476 5.3378  0.83966      2.46481  5.05425      2.49017  12.5279     46.7804     2.99421     46.7804     
1 1 1 6  29 27 o 16.8021 5.32807 -0.304348    2.69357  3.1274       3.08248  5.75448     56.8379     9.15753     236.838     
1 1 1 6  29 28 o 24.8772 6.03438 9.06927      3.21441  2.83476      2.97328  14.3767     88.9511     5.44231     268.951     
1 1 1 6  29 29 o 19.146  5.32965 0.397421     2.58868  5.00971      2.54283  8.78835     107.446     3.22087     287.446     
1 1 1 6  29 30 o 16.3092 5.10884 0.166028     2.53656  2.51963      2.63453  2.09153     244.915     1.90212     64.9149     
1 1 1 6  29 31 o 13.5978 4.53124 -3.08927     2.58602  1.04915      2.51754  0.357635    280.075     4.43499     100.075     
1 1 1 6  29 32 o 19.1299 5.64157 4.12006      2.91166  2.91859      2.61157  6.08718     136.978     0.834976    136.978     
1 1 1 6  29 33 o 23.8535 6.08195 5.08218      2.87645  7.6173       2.96419  16.706      15.2612     7.13958     15.2612     
1 1 1 6  29 34 o 14.9319 4.82399 1.86413      2.48411  0.228506     2.51641  5.80271     235.689     2.73207     55.6891     
1 1 1 6  29 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  30 0  o 27.349  5.67182 5.47753      2.07498  5.47753      2.07498  26.5379     1.58841e-07 11.4911     1.58841e-07 
1 1 1 6  30 1  o 17.5825 4.76858 2.90424      1.92164  0.396437     1.92286  7.31373     244.453     6.15744     64.4528     
1 1 1 6  30 2  o 32.9677 4.69509 5.70515      2.2968   9.10276      2.30354  30.7694     158.646     15.5157     158.646     
1 1 1 6  30 3  o 15.0035 4.59615 0.424343     2.06582  0.68253      1.85851  0.310797    276.549     18.0084     96.5486     
1 1 1 6  30 4  o 17.2817 5.08734 1.23621      2.02392  1.73771      2.44991  7.27133     300.663     3.3832      120.663     
1 1 1 6  30 5  o 22.5001 6.10563 4.34427      2.74643  3.14135      3.34585  14.6143     310.819     3.63083     310.819     
1 1 1 6  30 6  o 21.7138 5.37436 -0.452679    2.65384  6.07864      2.66028  8.58451     37.7256     12.2855     217.726     
1 1 1 6  30 7  o 33.6597 4.89372 3.61343      2.57143  12.9507      2.63504  22.8804     299.47      3.29503     119.47      
1 1 1 6  30 8  o 15.0067 4.71936 0.689588     2.17001  -0.218721    2.23859  3.34229     44.9417     7.72388     224.942     
1 1 1 6  30 9  o 17.6206 5.15907 1.49888      2.26496  1.84507      2.31037  4.66543     129.135     12.1026     309.135     
1 1 1 6  30 10 o 31.1954 5.7139  7.75596      2.6519   7.04343      2.90508  26.8761     172.468     11.7547     172.468     
1 1 1 6  30 11 o 16.9865 4.96767 -0.179697    2.23286  2.69429      2.22975  5.01639     234.747     10.085      54.7471     
1 1 1 6  30 12 f 54.2735 3.70643 18.6064      3.06528  18.5923      3.05302  31.0716     131.156     0           0           
1 1 1 6  30 13 o 16.2829 4.95297 0.92623      2.22084  1.27852      2.26653  6.25172     29.5005     0.686492    209.501     
1 1 1 6  30 14 o 19.6946 5.25896 4.16729      2.31597  1.06015      2.33748  8.75394     69.6323     8.66713     249.632     
1 1 1 6  30 15 o 17.5449 4.90513 3.81696      2.25277  -1.17128     2.25855  3.51811     32.8971     1.74514     32.897      
1 1 1 6  30 16 o 16.4026 5.02066 0.763484     2.27743  1.65037      2.39748  8.27528     352.741     1.83939     352.741     
1 1 1 6  30 17 o 18.0027 5.15552 -0.458469    2.39619  3.93208      2.46915  6.54027     57.2849     10.9618     237.285     
1 1 1 6  30 18 o 41.7593 4.99349 12.1088      3.2805   13.1908      2.85035  32.8565     92.3696     3.55245     92.3696     
1 1 1 6  30 19 o 20.9582 5.25792 6.8998       2.75024  -1.97698     2.78607  10.2286     89.0099     7.9403      269.01      
1 1 1 6  30 20 o 19.0236 5.54454 1.96903      2.46841  3.59726      2.79483  9.89408     140.002     3.53509     320.002     
1 1 1 6  30 21 o 17.0442 4.85535 4.00312      2.29662  -1.93323     2.34194  4.29629     135.122     1.47613     135.122     
1 1 1 6  30 22 o 13.6423 4.49019 -0.644879    2.30313  -0.11358     2.28537  3.08572     48.5655     7.46283     228.566     
1 1 1 6  30 23 o 26.0261 5.92234 7.2454       2.63386  5.13164      3.00378  20.3325     8.90948     6.53914     8.90948     
1 1 1 6  30 24 o 19.521  5.51112 3.47943      2.4882   2.98244      2.52073  11.2673     62.7901     0.0366976   62.7904     
1 1 1 6  30 25 o 19.0495 5.34948 4.4341       2.46703  1.24692      2.5061   7.54196     41.9404     7.88878     221.94      
1 1 1 6  30 26 o 16.0289 5.12961 1.86638      2.72125  0.21876      2.76502  1.33206     275.576     0.943304    95.5758     
1 1 1 6  30 27 o 18.2897 5.56852 3.8663       2.80325  0.97599      3.16341  4.87851     259.704     5.07673     79.7039     
1 1 1 6  30 28 o 16.5999 5.151   0.692236     2.46387  2.76681      2.64307  3.54343     110.483     3.77289     290.483     
1 1 1 6  30 29 o 18.4088 5.52085 2.90351      2.643    3.43076      2.78917  7.34901     9.05051     2.5693      189.051     
1 1 1 6  30 30 f 17.1708 5.27446 1.47781      2.6803   3.55802      2.61848  6.04333     273.5       0           0           
1 1 1 6  30 31 o 16.3225 5.22248 1.26798      3.16503  2.54303      2.6087   7.48417     157.875     0.350407    337.875     
1 1 1 6  30 32 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  31 0  o 10.5368 4.90751 0.151426     2.03292  0.151426     2.03292  0.882934    360         13.1417     360         
1 1 1 6  31 1  o 18.4443 5.12402 3.0025       2.07714  1.32559      2.33632  8.97431     226.056     5.10172     46.056      
1 1 1 6  31 2  o 45.4355 3.93391 12.4846      2.68412  14.3821      2.6883   38.5806     62.5808     9.5643      62.5808     
1 1 1 6  31 3  o 22.0425 5.69559 4.07349      2.58859  3.71326      2.44622  10.487      336.563     9.1684      156.563     
1 1 1 6  31 4  o 29.268  6.41917 9.55273      3.18687  5.60312      3.75208  18.8781     79.4827     3.83206     259.483     
1 1 1 6  31 5  o 26.4275 6.24716 7.0886       3.04856  5.11559      3.00469  17.2464     292.41      2.325       112.41      
1 1 1 6  31 6  o 37.7307 5.61704 13.0767      2.87361  8.86434      3.46005  30.1113     98.1045     4.96548     98.1044     
1 1 1 6  31 7  o 20.2098 5.3316  5.50015      2.62392  -0.163359    2.47522  12.101      215.231     2.3068      35.231      
1 1 1 6  31 8  o 33.2238 5.58771 8.01142      2.79193  9.1401       2.84829  30.3468     324.913     13.661      324.913     
1 1 1 6  31 9  o 15.8827 4.79373 -2.7205      2.30935  3.15936      2.39416  3.03726     192.64      1.06224     192.64      
1 1 1 6  31 10 o 20.411  5.52179 3.76571      2.43057  2.76144      2.44878  13.3914     290.385     6.28376     290.385     
1 1 1 6  31 11 o 23.0966 5.61524 3.02734      2.49761  5.75675      2.52818  9.76692     167.343     12.7311     347.343     
1 1 1 6  31 12 o 18.687  5.49029 2.41017      2.77964  2.5665       2.44484  9.49064     147.699     4.05807     327.699     
1 1 1 6  31 13 o 28.508  5.70827 7.09962      2.60527  6.3193       2.64735  24.2094     318.321     10.1609     318.321     
1 1 1 6  31 14 o 16.9628 5.12421 1.40739      2.36779  1.99597      2.38078  7.92251     38.9094     1.18655     218.909     
1 1 1 6  31 15 o 22.9866 5.7174  4.12485      2.50758  5.02957      2.53427  15.9037     62.1566     8.72986     62.1566     
1 1 1 6  31 16 o 13.0598 4.36665 -0.22345     2.32035  -1.92575     2.3565   0.832661    265.402     0.615023    85.4016     
1 1 1 6  31 17 o 14.4114 4.65392 0.172713     2.31431  0.298113     2.28606  4.2795      194.295     5.06123     14.295      
1 1 1 6  31 18 o 25.9129 6.04452 7.2327       2.98954  5.33117      2.6213   15.6084     203.984     4.28346     23.9844     
1 1 1 6  31 19 o 33.3382 6.14225 7.76175      2.93369  12.3632      3.50462  28.6073     217.005     10.987      217.005     
1 1 1 6  31 20 o 18.4793 5.32358 3.81206      2.45563  1.40523      2.47997  8.65569     217.497     0.160008    217.497     
1 1 1 6  31 21 o 24.0099 5.87275 5.09396      2.69318  5.66937      2.61119  13.9015     29.0834     2.27077     209.083     
1 1 1 6  31 22 o 19.7647 5.51458 4.37284      2.53643  2.30757      2.53428  7.52137     104.351     0.732153    284.351     
1 1 1 6  31 23 o 12.7972 4.30825 -0.0437178   2.34702  -2.39495     2.38128  0.811823    354.646     7.25029     354.646     
1 1 1 6  31 24 o 17.1183 5.27002 1.87283      2.47348  2.31846      2.72548  3.46938     276.262     10.1685     96.2623     
1 1 1 6  31 25 o 13.9857 4.64167 -4.22692     2.70407  2.16179      2.69226  0.636836    292.51      11.2474     112.51      
1 1 1 6  31 26 f 19.8582 5.50475 2.20928      2.54824  5.57949      2.61776  13.5101     324.65      0           0           
1 1 1 6  31 27 o 15.9201 5.17126 0.297374     3.37996  2.5106       2.67912  6.01436     84.8226     3.72897     264.823     
1 1 1 6  31 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  31 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  32 0  o 40.8802 4.37898 10.7797      2.56957  10.7797      2.56957  43.946      360         26.1407     360         
1 1 1 6  32 1  o 16.6627 4.95945 2.04204      2.1739   1.25665      2.17575  6.62421     263.446     0.489987    263.446     
1 1 1 6  32 2  o 16.6118 5.10255 1.43048      2.61614  1.53199      2.25146  7.12416     89.6334     2.27835     269.633     
1 1 1 6  32 3  o 16.3399 5.14626 1.4661       2.58109  0.830401     2.66458  6.67953     275.582     2.67306     95.5818     
1 1 1 6  32 4  o 23.3584 6.13223 6.11828      2.73619  3.75997      3.72022  14.0664     103.346     2.27421     283.346     
1 1 1 6  32 5  o 12.8124 4.30939 -0.2372      2.31117  -2.73187     2.42276  1.38896     231.551     1.5389      51.5506     
1 1 1 6  32 6  o 13.051  4.35667 0.507649     2.34998  -3.41083     2.39933  1.60315     322.746     1.48792     142.746     
1 1 1 6  32 7  o 12.7785 4.3092  -2.78316     2.38792  -0.25926     2.38111  1.89354     216.023     2.63036     36.0228     
1 1 1 6  32 8  o 19.0637 5.46548 4.18406      2.6247   1.34007      2.55993  9.83734     60.8937     3.09005     60.8937     
1 1 1 6  32 9  o 45.8755 5.37876 17.3741      4.08661  15.3793      3.18803  36.2324     258.822     5.56226     258.822     
1 1 1 6  32 10 o 16.2547 5.07512 1.85775      2.5159   0.815367     2.48363  6.09533     312.861     5.54076     132.861     
1 1 1 6  32 11 o 18.9493 5.45239 3.73702      2.51709  2.01237      2.57558  9.89396     124.35      2.14098     304.35      
1 1 1 6  32 12 o 15.3955 4.88071 1.91107      2.41905  -0.545603    2.50528  3.24296     227.399     0.00999083  227.4       
1 1 1 6  32 13 o 26.8673 5.87704 7.57148      2.72703  5.48445      2.72654  13.7417     178.572     9.57093     358.572     
1 1 1 6  32 14 o 14.1614 4.61907 1.08205      2.36234  -1.3426      2.43185  2.32533     169.157     7.92484     349.157     
1 1 1 6  32 15 o 25.458  6.05057 7.49989      2.88386  4.93106      2.8757   16.9279     17.6063     3.02267     17.6063     
1 1 1 6  32 16 o 11.7272 4.0448  -3.1882      2.39349  -1.6619      2.37605  0.29891     78.4595     2.96203     78.4595     
1 1 1 6  32 17 o 12.2947 4.20842 -2.96562     2.64469  -1.14319     2.31734  0.948888    116.213     7.25248     116.213     
1 1 1 6  32 18 o 19.6868 5.62984 4.35448      2.56176  2.33246      2.97006  6.55575     308.172     3.48111     128.172     
1 1 1 6  32 19 o 16.8688 5.16806 1.09076      2.48038  2.72356      2.52627  3.68167     89.6089     6.14052     269.609     
1 1 1 6  32 20 o 15.872  4.90726 3.22139      2.43644  -1.1883      2.493    3.21726     60.1874     4.32435     240.187     
1 1 1 6  32 21 f 15.8746 4.80248 4.21664      2.45702  -3.07367     2.47417  10.0067     322.219     0           0           
1 1 1 6  32 22 f 17.8147 5.25564 4.5431       2.54392  0.895145     2.56972  8.11028     323.541     0           0           
1 1 1 6  32 23 o 17.1835 5.53963 1.65551      3.83946  3.35554      2.94116  7.68883     83.2184     2.70642     263.218     
1 1 1 6  32 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  32 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  33 0  o 17.6442 6.55522 3.47038      2.35591  3.47038      2.35591  5.70451     360         0.175152    360         
1 1 1 6  33 1  o 30.4999 5.6478  9.56231      2.87701  6.4094       2.54416  22.984      268.673     5.9745      268.673     
1 1 1 6  33 2  o 16.2206 5.26782 2.50407      2.91991  -1.78547     3.49116  4.01862     306.349     4.11449     126.349     
1 1 1 6  33 3  o 22.1006 6.07403 6.7852       3.10977  2.63849      3.26726  11.612      114.134     2.81053     114.134     
1 1 1 6  33 4  o 25.9257 5.94638 9.36842      2.93105  2.83312      4.10269  17.7071     34.928      7.04267     34.928      
1 1 1 6  33 5  o 13.9561 4.63992 -0.457281    2.51693  -0.331263    2.5852   0.760474    125.802     8.96715     305.802     
1 1 1 6  33 6  o 23.3455 6.00599 6.29438      2.86862  4.24578      2.81584  12.9077     243.468     3.07068     243.468     
1 1 1 6  33 7  o 19.1302 5.58586 3.9821       2.71988  2.18104      2.69878  6.28734     14.6444     6.93492     194.644     
1 1 1 6  33 8  o 14.6502 4.69321 -4.06813     2.51174  2.74076      2.5481   0.795308    122.057     3.12589     302.057     
1 1 1 6  33 9  o 20.2934 5.49732 0.725365     2.66556  5.95435      2.71861  7.42645     147.195     5.0173      327.195     
1 1 1 6  33 10 o 21.1727 5.75085 5.26815      2.70531  3.063        2.69349  7.5085      334.888     0.222557    154.888     
1 1 1 6  33 11 o 22.1455 5.73261 6.59766      2.77329  2.51102      2.71018  9.97854     131.762     3.74803     311.762     
1 1 1 6  33 12 o 13.3976 4.49312 -1.83851     2.50454  0.191471     2.51547  1.01951     357.282     12.1923     357.282     
1 1 1 6  33 13 f 23.4818 5.96357 6.57598      2.79964  4.43358      2.81752  13.8227     331.93      0           0           
1 1 1 6  33 14 o 16.7318 5.10702 -0.647356    2.5955   3.92399      2.59238  0.222386    256.486     0.0560423   76.4865     
1 1 1 6  33 15 o 15.0425 4.92341 0.803136     2.70585  0.969333     2.68847  1.62112     155.191     1.33621     335.191     
1 1 1 6  33 16 o 36.9519 6.64949 17.459       4.43641  11.5736      3.16157  30.2573     50.99       10.2403     50.99       
1 1 1 6  33 17 o 15.6955 5.14709 1.48859      2.89726  1.44206      3.04324  4.34319     245.699     0.786462    65.6993     
1 1 1 6  33 18 o 36.035  6.31114 16.7137      3.69871  10.1302      3.52377  29.0705     264.799     8.31225     264.799     
1 1 1 6  33 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  33 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  34 0  o 9.57708 4.87763 -3.59308     3.57674  -3.59308     3.57674  0.24231     180         1.02942     180         
1 1 1 6  34 1  o 18.5506 5.82814 1.65682      3.35588  5.30788      3.46241  6.87721     153.736     1.17311     333.736     
1 1 1 6  34 2  o 14.7183 4.96715 0.148798     2.57584  0.269768     3.72556  2.2235      17.6991     3.23356     197.699     
1 1 1 6  34 3  o 13.8844 4.70612 -0.0763541   3.06171  -0.726507    2.68899  1.32477     80.5056     2.61211     260.506     
1 1 1 6  34 4  o 18.7449 5.704   4.50421      2.90353  2.69845      3.20648  7.08258     204.181     6.297       24.1813     
1 1 1 6  34 5  o 16.1572 5.31768 1.40544      3.43127  1.93048      3.03503  4.58348     325.344     5.36918     145.344     
1 1 1 6  34 6  o 14.6462 4.8443  -0.0351699   2.69553  1.26198      2.75744  3.12751     109.942     3.94954     289.942     
1 1 1 6  34 7  o 14.0331 4.6372  2.42687      2.62524  -3.45844     2.67122  1.76479     0.720626    1.47178     180.721     
1 1 1 6  34 8  o 17.0328 5.2921  0.724005     2.77883  4.01891      2.77411  1.68305     36.9701     0.403093    36.9701     
1 1 1 6  34 9  o 19.0689 5.59693 1.90367      2.81723  5.50659      2.84952  7.98593     232.517     7.06444     52.5171     
1 1 1 6  34 10 o 17.1321 5.34491 2.06289      2.7625   3.15961      2.77277  7.20305     274.766     1.39266     274.766     
1 1 1 6  34 11 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  34 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 6  34 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  0  1  o 279.732 1.85866 426.209      8.00472  426.209      8.00472  224.963     270         85.8484     90          
1 1 1 7  0  2  o 54.9802 2.1247  16.6079      1.78648  16.6079      1.78648  14.6889     2.98365e-05 57.0543     2.98365e-05 
1 1 1 7  0  3  o 91.4649 1.94223 45.6777      2.72997  45.6777      2.72997  33.9001     89.9999     14.4959     270         
1 1 1 7  0  4  o 558.433 1.9098  1698.2       16.422   1698.2       16.422   581.648     180         94.1967     180         
1 1 1 7  0  5  o 462.514 2.17805 1165.04      15.511   1165.04      15.511   290.579     90          304.071     270         
1 1 1 7  0  6  f 210.517 2.15195 241.474      6.97275  241.474      6.97275  143.992     180         0           0           
1 1 1 7  0  7  o 148.417 1.89277 120.058      4.32268  120.058      4.32268  140.987     270         2.23428     270         
1 1 1 7  0  8  o 934.619 2.06065 4756.5       29.6564  4756.5       29.6564  907.207     1.86021e-06 27.6653     1.8602e-06  
1 1 1 7  0  9  o 15.2516 4.52653 1.78871      1.06787  1.78871      1.06787  8.71856     90.0001     17.9482     90.0001     
1 1 1 7  0  10 o 102.552 1.9659  57.3905      3.09937  57.3905      3.09937  30.7751     360         128.422     180         
1 1 1 7  0  11 o 52.7724 2.33373 15.3416      1.87928  15.3416      1.87928  4.70085     90          20.2854     90          
1 1 1 7  0  12 o 15.4242 5.10502 1.89583      1.35566  1.89583      1.35566  44.4667     180         91.8427     180         
1 1 1 7  0  13 o 304.814 2.16209 506.067      10.1461  506.067      10.1461  268.172     90          44.5712     270         
1 1 1 7  0  14 o 535.497 2.21465 1561.6       18.2607  1561.6       18.2607  655.703     180         291.673     180         
1 1 1 7  0  15 o 465.911 2.19792 1182.17      15.7675  1182.17      15.7675  498.056     270         109.651     270         
1 1 1 7  0  16 f 567.243 3.15263 1752.75      27.5341  1752.75      27.5341  545.649     180         0           0           
1 1 1 7  0  17 o 99.9697 3.00068 54.723       4.60034  54.723       4.60034  11.957      90          207.978     90          
1 1 1 7  0  18 o 229.204 2.42196 286.279      8.54397  286.279      8.54397  307.526     180         183.398     180         
1 1 1 7  0  19 o 142.515 1.9936  110.729      4.37125  110.729      4.37125  120.747     270         68.0035     270         
1 1 1 7  0  20 o 198.891 2.25793 215.597      6.91137  215.597      6.91137  163.014     1.57663e-05 140.034     1.57663e-05 
1 1 1 7  0  21 o 7.04329 3.48774 -1.48        1.41797  -1.48        1.41797  60.2066     270         121.23      270         
1 1 1 7  0  22 o 197.295 1.93387 212.107      5.87279  212.107      5.87279  264.062     2.66927e-06 155.94      2.66927e-06 
1 1 1 7  0  23 o 175.449 1.94413 167.771      5.2496   167.771      5.2496   152.479     270         25.8634     90          
1 1 1 7  0  24 o 144.77  1.92963 114.271      4.29829  114.271      4.29829  142.249     7.51733e-08 11.946      7.51735e-08 
1 1 1 7  0  25 o 35.0476 3.08327 6.99891      1.59464  6.99891      1.59464  23.5921     90          82.797      90          
1 1 1 7  0  26 o 390.351 1.91437 830.096      11.506   830.096      11.506   417.704     1.65559e-08 102.573     1.65559e-08 
1 1 1 7  0  27 o 206.866 1.91609 233.228      6.10138  233.228      6.10138  262.426     90          137.095     90          
1 1 1 7  0  28 o 213.481 1.92009 248.388      6.30976  248.388      6.30976  185.71      180         28.0838     8.68756e-06 
1 1 1 7  0  29 o 71.4226 2.22043 27.957       2.43132  27.957       2.43132  56.3119     90          12.0264     270         
1 1 1 7  0  30 o 111.901 2.04843 68.3628      3.52441  68.3628      3.52441  85.1424     180         38.4005     8.6762e-06  
1 1 1 7  0  31 o 35.3066 3.36538 7.16109      1.73624  7.16109      1.73624  2.24454     270         17.1815     90          
1 1 1 7  0  32 o 90.1813 2.16653 44.4728      3.00077  44.4728      3.00077  80.562      360         6.38284     180         
1 1 1 7  0  33 o 105.93  2.07344 61.2901      3.37634  61.2901      3.37634  122.917     90          49.4538     90          
1 1 1 7  0  34 o 58.6699 2.59552 18.9905      2.32364  18.9905      2.32364  32.9732     180         19.2778     180         
1 1 1 7  0  35 o 134.574 2.05128 98.8503      4.24638  98.8503      4.24638  157.284     270         65.9991     270         
1 1 1 7  0  36 o 46.696  3.24698 12.252       2.2793   12.252       2.2793   33.1971     0           17.4837     180         
1 1 1 7  0  37 o 19.9998 5.88832 3.09469      1.81008  3.09469      1.81008  2.15        90.0003     8.79169     90.0003     
1 1 1 7  0  38 o 128.351 2.07759 90.018       4.10143  90.018       4.10143  137.035     360         38.5286     360         
1 1 1 7  0  39 o 49.1289 3.32712 13.5797      2.46067  13.5797      2.46067  32.9161     90          23.5944     270         
1 1 1 7  0  40 o 64.0546 3.68749 22.9843      3.57996  22.9843      3.57996  52.1051     360         12.7909     180         
1 1 1 7  0  41 o 103.222 2.1262  58.3782      3.37312  58.3782      3.37312  99.5892     90          11.0784     90          
1 1 1 7  0  42 o 80.0545 2.43726 35.2961      2.99183  35.2961      2.99183  80.4798     3.3744e-06  15.4361     3.3744e-06  
1 1 1 7  0  43 o 53.9061 3.21874 16.3473      2.62636  16.3473      2.62636  51.5407     270         5.3373      270         
1 1 1 7  0  44 o 9.06472 4.20164 -0.167174    1.46319  -0.167174    1.46319  3.11953     2.23088e-05 8.54295     2.23088e-05 
1 1 1 7  0  45 o 14.4389 5.37175 1.7313       1.58372  1.7313       1.58372  0.290691    270         2.1178      90.0004     
1 1 1 7  0  46 o 50.9613 2.82602 14.5862      2.18546  14.5862      2.18546  43.1602     180         5.35575     8.65146e-06 
1 1 1 7  0  47 f 9.45413 4.364   -0.0831398   1.55466  -0.0831398   1.55466  4.84674     270         0           0           
1 1 1 7  0  48 o 6.65269 3.34341 -1.92061     1.46838  -1.92061     1.46838  4.58729     8.64064e-06 12.3348     8.64063e-06 
1 1 1 7  0  49 o 49.0834 2.94189 13.6773      2.1854   13.6773      2.1854   63.4324     270         39.3135     270         
1 1 1 7  0  50 o 8.47556 4.12298 -1.09771     1.76463  -1.09771     1.76463  0.554086    180         1.73081     180         
1 1 1 7  0  51 o 9.26068 4.35448 -0.310299    1.66339  -0.310299    1.66339  2.08886     270         7.55271     270         
1 1 1 7  0  52 o 18.4574 5.93529 2.97111      1.82588  2.97111      1.82588  11.7488     360         1.74259     360         
1 1 1 7  0  53 o 15.5076 5.92673 2.22804      1.97338  2.22804      1.97338  7.43909     270         8.6145      90          
1 1 1 7  0  54 o 7.82027 3.88071 -1.59671     1.78317  -1.59671     1.78317  0.280126    180         1.52109     180         
1 1 1 7  0  55 o 28.0587 5.40235 5.6114       2.01751  5.6114       2.01751  35.2859     90          24.5508     90          
1 1 1 7  0  56 o 21.1783 6.83592 4.31929      2.42275  4.31929      2.42275  16.4061     360         3.62109     180         
1 1 1 7  0  57 o 9.2325  4.48623 -0.860614    2.07582  -0.860614    2.07582  1.06        270         3.60967     90.0001     
1 1 1 7  0  58 o 9.6408  4.56651 -0.152981    1.88846  -0.152981    1.88846  0.782256    360         6.5239      180         
1 1 1 7  0  59 o 12.3313 5.55775 1.12043      2.33111  1.12043      2.33111  4.73107     270         5.46334     90          
1 1 1 7  0  60 o 16.4999 6.12565 2.91887      2.05612  2.91887      2.05612  7.36551     360         2.05144     360         
1 1 1 7  0  61 o 10.3811 4.89404 0.144868     2.12457  0.144868     2.12457  1.17352     90.0001     6.86876     90.0001     
1 1 1 7  0  62 o 26.5027 6.26558 6.07485      2.27949  6.07485      2.27949  29.0718     180         13.925      180         
1 1 1 7  0  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  1  0  o 230.075 1.85943 288.357      6.58583  288.357      6.58583  145.868     270         148.843     90          
1 1 1 7  1  1  o 319.692 2.00285 565.447      10.5507  547.924      9.1386   285.858     270.626     27.0554     90.6264     
1 1 1 7  1  2  o 154.006 2.03166 128.055      5.14258  130.312      4.46347  129.752     143.201     1.37543     323.201     
1 1 1 7  1  3  o 148.833 1.88203 130.25       4.31715  111.397      4.29181  69.2111     335.113     123.957     155.113     
1 1 1 7  1  4  o 162.973 1.87186 151.943      4.70078  137.531      4.68644  126.942     168.401     29.9897     348.401     
1 1 1 7  1  5  o 233.404 1.86532 296.123      6.70458  297.234      6.70395  216.497     148.441     6.49775     148.441     
1 1 1 7  1  6  o 141.749 1.8932  106.742      4.12607  112.135      4.13718  95.1089     141.553     51.2951     321.553     
1 1 1 7  1  7  o 182.188 1.8777  187.807      5.26933  173.838      5.26083  175.458     45.7053     31.6063     45.7053     
1 1 1 7  1  8  o 182.499 1.95585 175.922      5.67442  186.906      5.29682  200.485     317.235     89.7754     317.235     
1 1 1 7  1  9  o 333.979 2.00977 598.076      10.3521  616.841      10.3176  333.603     131.421     42.4146     131.421     
1 1 1 7  1  10 o 142.259 2.16612 110.79       4.21025  109.632      5.22067  139.204     241.76      62.8627     241.76      
1 1 1 7  1  11 o 141.385 2.15865 104.496      4.17828  113.315      5.20109  84.7359     58.823      76.8773     238.823     
1 1 1 7  1  12 o 226.561 2.27041 277.559      7.54713  281.534      8.28268  204.018     176.29      7.10213     356.29      
1 1 1 7  1  13 o 388.08  2.17085 834.418      12.9746  806.084      12.9687  338.648     250.747     53.502      70.7473     
1 1 1 7  1  14 o 507.608 2.31075 1401.32      17.2051  1405.29      18.8827  525.725     234.164     93.2128     234.164     
1 1 1 7  1  15 o 346.527 2.03893 653.177      10.8794  654.716      10.8806  296.568     287.521     55.0343     107.521     
1 1 1 7  1  16 o 258.43  2.4014  368.605      9.56226  358.945      9.54956  306.282     122.13      148.626     122.13      
1 1 1 7  1  17 o 497.205 2.42765 1357.57      18.5888  1335.55      18.5844  591.7       234.248     252.771     234.248     
1 1 1 7  1  18 o 142.677 2.30994 104.906      5.05903  117.02       5.08096  111.301     197.254     2.76955     197.255     
1 1 1 7  1  19 o 273.601 2.4752  395.799      11.3455  419.981      9.34931  210.082     131.599     82.1347     311.599     
1 1 1 7  1  20 o 165.795 2.17243 147.193      5.73161  152.305      5.34662  170.806     238.243     70.9826     238.243     
1 1 1 7  1  21 o 210.742 2.0601  232.911      6.67747  251.13       6.68657  190.584     74.325      0.341911    74.3238     
1 1 1 7  1  22 o 124.253 2.13076 87.6131      4.08276  80.7375      4.06325  43.6746     347.933     132.162     167.933     
1 1 1 7  1  23 f 191.49  1.99083 206.254      6.0893   193.412      5.65295  148.652     309.888     0           0           
1 1 1 7  1  24 o 258.008 1.90821 367.804      7.58582  357.632      7.57594  197.175     56.6794     84.7074     236.679     
1 1 1 7  1  25 o 52.207  2.53742 16.8806      1.96893  13.1042      2.04807  11.3935     223.368     24.2245     43.3683     
1 1 1 7  1  26 o 353.444 1.98315 681.346      10.4107  680.327      11.1627  375.124     99.8731     91.8234     99.8731     
1 1 1 7  1  27 f 168.586 1.93911 158.663      5.04074  151.193      5.02541  150.582     16.3082     0           0           
1 1 1 7  1  28 o 127.482 1.99062 89.1376      3.90441  88.0492      3.91093  116.778     244.238     8.44084     244.238     
1 1 1 7  1  29 o 158.462 1.96554 143.151      4.80339  130.774      4.78252  145.439     347.379     4.56455     347.379     
1 1 1 7  1  30 o 52.1528 2.56837 16.3165      2.04971  13.5786      2.0369   18.4648     121.768     35.2803     301.768     
1 1 1 7  1  31 o 189.988 1.95468 203.303      5.72681  190.428      5.70653  228.702     201.783     111.753     201.783     
1 1 1 7  1  32 o 121.245 2.0369  82.1486      3.80572  78.217       3.79868  105.196     93.2323     7.18165     273.232     
1 1 1 7  1  33 o 86.8961 2.21314 41.686       2.95517  40.8218      2.95772  67.3357     353.673     15.9944     173.673     
1 1 1 7  1  34 o 54.3549 2.66268 15.3035      2.20966  17.1612      2.21446  32.6378     298.477     16.8775     118.477     
1 1 1 7  1  35 o 154.647 2.0069  130.55       4.78482  130.449      4.77359  128.507     54.133      24.2949     234.133     
1 1 1 7  1  36 o 77.2152 2.46611 34.6936      2.92387  30.6854      2.91733  56.8278     169.704     22.2248     349.704     
1 1 1 7  1  37 o 63.9836 2.75249 22.4033      2.69356  22.6086      2.7047   38.2474     73.3609     34.1735     253.361     
1 1 1 7  1  38 o 99.8519 2.31382 54.0755      3.77354  55.174       3.31172  106.414     190.88      36.8907     190.88      
1 1 1 7  1  39 o 162.456 2.44328 142.325      6.37437  147.08       5.82705  177.261     52.8034     60.8812     52.8034     
1 1 1 7  1  40 o 49.7865 3.25173 14.5405      2.48074  13.0908      2.44477  50.069      132.394     31.0406     132.394     
1 1 1 7  1  41 o 46.2816 3.2214  13.0664      2.39961  10.9356      2.13484  36.0243     80.5963     5.41989     260.596     
1 1 1 7  1  42 o 65.9254 2.60831 23.3957      2.63972  24.7464      2.63307  63.5445     65.7616     10.9042     65.7616     
1 1 1 7  1  43 o 39.8779 3.37689 7.24929      1.91553  10.963       2.10799  34.6925     177.29      2.53064     177.29      
1 1 1 7  1  44 o 67.1254 2.74237 23.6482      2.6722   26.6341      2.97538  58.0637     173.958     2.65258     353.958     
1 1 1 7  1  45 o 50.0622 2.8099  12.772       2.1289   15.4206      2.15374  54.6249     128.145     23.814      128.145     
1 1 1 7  1  46 o 48.5989 2.84146 12.934       2.11379  13.6653      2.09921  47.5769     120.851     11.4526     120.851     
1 1 1 7  1  47 o 33.771  3.70702 6.21916      1.87414  7.12519      1.84707  23.6424     342.585     10.141      162.585     
1 1 1 7  1  48 o 45.7015 3.04158 11.5199      2.1053   12.3593      2.12366  49.1674     255.204     19.6419     255.204     
1 1 1 7  1  49 o 19.1517 4.59438 1.07913      1.70024  3.01825      1.68657  2.52249     98.4751     24.5802     278.475     
1 1 1 7  1  50 o 22.5991 4.7435  2.42792      1.77814  3.98876      1.82764  15.2823     91.8334     1.5106      271.833     
1 1 1 7  1  51 o 16.0721 4.5357  -0.379139    1.70381  2.10985      1.86909  0.733742    269.185     0.246876    89.1848     
1 1 1 7  1  52 o 26.9161 4.65794 4.32768      1.91664  5.115        1.92019  18.16       186.113     6.85846     6.11289     
1 1 1 7  1  53 o 19.8309 4.99044 2.638        1.90433  2.44371      1.93276  12.5415     73.0385     3.503       253.038     
1 1 1 7  1  54 o 34.3309 4.30933 9.07764      2.16845  6.32686      2.18144  34.3498     309.875     11.5441     309.875     
1 1 1 7  1  55 o 12.9242 4.14542 0.511833     1.78634  -1.8563      1.93917  2.72678     155.889     8.74627     335.889     
1 1 1 7  1  56 o 18.796  5.40079 2.5969       2.62312  2.03612      2.26652  9.57191     235.131     4.9399      235.131     
1 1 1 7  1  57 o 17.6038 5.06544 0.524868     2.15055  3.17985      2.31806  9.66693     73.7282     7.29546     253.728     
1 1 1 7  1  58 o 20.3846 5.36275 1.78746      2.31078  4.73324      2.40877  16.7258     219.569     5.55415     219.569     
1 1 1 7  1  59 o 25.7249 5.30534 6.88045      2.15895  3.98031      2.75051  20.2469     32.0468     0.259787    212.047     
1 1 1 7  1  60 o 17.7122 5.14636 1.52633      2.37767  3.04898      2.23158  10.1308     95.5598     0.0653403   275.56      
1 1 1 7  1  61 o 12.0511 4.08057 -1.86951     1.91607  -0.540798    2.32986  0.0731544   3.77484     6.21185     183.775     
1 1 1 7  1  62 f 23.7833 5.34823 6.00925      2.23157  4.42365      2.2526   19.3239     53.2629     0           0           
1 1 1 7  1  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  2  0  o 218.344 1.86119 259.71       6.25575  259.71       6.25575  305.947     90          197.723     90          
1 1 1 7  2  1  o 197.668 1.8621  220.168      5.6693   205.541      5.66187  112.73      152.844     135.584     332.844     
1 1 1 7  2  2  o 234.769 2.00861 295.906      6.7162   304.49       7.78175  264.66      36.783      107.627     36.783      
1 1 1 7  2  3  o 340.286 2.02036 637.781      9.78817  623.555      11.3121  384.479     18.6479     134.847     18.6479     
1 1 1 7  2  4  o 220.435 1.86062 254.502      6.30108  274.942      6.32431  197.206     311.13      6.45042     131.13      
1 1 1 7  2  5  o 117.348 1.89608 79.9666      3.43122  70.1783      3.41165  84.0626     87.6212     12.444      87.6211     
1 1 1 7  2  6  o 379.131 1.93944 769.818      10.9472  795.849      11.6962  375.28      65.1802     37.7772     65.1802     
1 1 1 7  2  7  o 207.922 2.02388 235.438      6.01931  235.423      6.90996  99.9981     192.029     183.174     12.0291     
1 1 1 7  2  8  o 205.831 1.953   234.118      5.98536  227.329      6.38177  86.0479     59.8531     207.713     239.853     
1 1 1 7  2  9  o 559.567 1.92222 1717.94      16.5754  1692.25      16.5506  514.232     38.9108     32.8896     218.911     
1 1 1 7  2  10 o 29.1693 2.97391 4.28887      1.28509  5.19357      1.30072  31.1596     166.057     70.5606     166.057     
1 1 1 7  2  11 o 269.357 1.95572 391.485      8.37582  398.715      7.83349  260.416     302.649     22.3718     302.649     
1 1 1 7  2  12 o 275.647 2.15986 413.897      9.16842  413.669      9.16735  249.871     334.822     12.2073     154.822     
1 1 1 7  2  13 o 332.94  2.37784 620.166      12.1966  587.482      12.1791  285.183     68.3871     53.6711     248.387     
1 1 1 7  2  14 o 231.758 2.44316 303.014      7.84208  282.247      9.45585  208.347     184.275     7.03086     4.27526     
1 1 1 7  2  15 o 78.2867 2.48477 35.6994      2.87326  31.2719      3.07501  40.5436     203.469     202.165     203.469     
1 1 1 7  2  16 o 509.259 2.05198 1405.5       16.0927  1419.32      16.0903  492.683     144.01      27.4039     144.01      
1 1 1 7  2  17 o 341.265 2.55093 634.789      14.1633  633.991      12.6029  314.001     99.131      4.89479     279.131     
1 1 1 7  2  18 o 206.947 2.35631 231.674      7.87291  234.894      7.12068  185.622     173.612     7.99096     173.612     
1 1 1 7  2  19 f 285.678 2.31831 452.36       10.7017  436.855      9.68535  238.201     310.817     0           0           
1 1 1 7  2  20 o 20.4657 4.43345 1.76347      1.52529  2.77957      1.56771  83.6371     339.277     176.193     339.277     
1 1 1 7  2  21 o 242.565 1.90395 322.361      7.11254  318.643      7.11074  239.508     351.688     36.3095     351.688     
1 1 1 7  2  22 o 150.411 2.19141 122.16       4.8601   124.378      5.28579  130.132     109.376     5.15196     289.376     
1 1 1 7  2  23 o 130.361 2.2156  92.536       4.62237  92.7369      4.26121  108.169     203.378     11.1798     23.378      
1 1 1 7  2  24 o 306.296 2.16772 516.104      11.3422  506.525      8.99177  294.52      0.0494739   19.4249     0.0494739   
1 1 1 7  2  25 o 122.253 1.99621 85.5174      3.76164  77.4815      3.74811  134.116     80.2516     60.8126     80.2516     
1 1 1 7  2  26 o 91.5554 2.08074 45.1528      2.92418  46.3256      2.93503  89.8641     27.0575     40.1063     27.0575     
1 1 1 7  2  27 o 92.7939 2.13043 47.9572      3.12407  46.0376      2.95645  90.964      355.894     38.015      355.894     
1 1 1 7  2  28 o 246.761 1.91892 322.933      7.27821  341.013      7.30157  201.641     118.196     52.5099     298.196     
1 1 1 7  2  29 o 157.824 1.9597  139.73       4.7731   131.915      4.74996  186.143     344.751     91.8682     344.751     
1 1 1 7  2  30 o 80.5219 2.19245 36.7869      2.72585  34.0704      2.69896  52.03       234.516     32.2854     54.5158     
1 1 1 7  2  31 o 110.293 2.04845 67.5217      3.49026  65.2562      3.46151  118.98      212.218     45.2268     212.218     
1 1 1 7  2  32 o 140.775 2.01555 107.229      4.37871  108.924      4.35942  88.7017     179.755     78.8418     359.755     
1 1 1 7  2  33 o 92.0285 2.18855 47.3876      3.10462  45.1488      3.08849  66.1444     43.5545     29.1659     223.555     
1 1 1 7  2  34 o 110.582 2.09111 66.2083      3.56086  67.3357      3.55414  75.8825     359.289     46.2325     179.289     
1 1 1 7  2  35 o 64.9035 2.62004 25.989       2.60386  20.3794      2.58344  64.0592     306.679     27.3992     306.679     
1 1 1 7  2  36 o 70.4179 2.52085 27.0802      2.72088  27.2871      2.72834  58.8706     17.6665     3.9901      197.666     
1 1 1 7  2  37 o 160.171 2.13422 139.509      5.26602  140.89       5.26175  161.37      241.22      32.223      241.22      
1 1 1 7  2  38 o 90.0971 2.75349 45.1899      3.82088  44.0361      3.80119  87.993      348.638     18.0762     348.638     
1 1 1 7  2  39 o 44.5894 3.49209 10.2027      2.35894  12.0566      2.33794  31.8543     170.099     4.97772     350.099     
1 1 1 7  2  40 o 112.535 2.25464 70.6178      3.91039  68.4062      3.89541  98.9809     3.25226     4.11767     183.252     
1 1 1 7  2  41 o 27.3149 5.28446 4.81197      2.5868   4.01032      1.99146  5.76437     354.126     55.251      354.126     
1 1 1 7  2  42 o 78.0498 2.56608 31.8099      2.94557  35.6376      3.20766  65.7082     269.801     7.8929      89.8011     
1 1 1 7  2  43 o 36.3972 3.38989 8.17486      1.85076  6.91248      1.84441  28.4039     121.058     3.68454     301.058     
1 1 1 7  2  44 f 17.8636 4.69124 1.35728      1.74462  1.65475      1.70004  24.3679     177.986     0           0           
1 1 1 7  2  45 o 50.0689 3.02386 14.2729      2.28456  14.006       2.33262  52.3618     28.3498     18.9396     28.3498     
1 1 1 7  2  46 o 37.857  3.39175 9.19872      1.92137  7.30376      1.91832  34.7274     342.492     6.1463      342.492     
1 1 1 7  2  47 o 16.2828 4.26597 2.3794       1.56096  -0.874772    1.70652  6.5658      346.069     2.37757     166.069     
1 1 1 7  2  48 o 13.3557 4.03353 1.01893      1.55635  -1.59928     1.61174  0.573481    61.1531     15.6035     241.153     
1 1 1 7  2  49 o 57.5944 2.69758 19.3868      2.37571  18.2545      2.38021  54.4143     205.013     8.4594      205.013     
1 1 1 7  2  50 o 36.9468 3.84771 7.47602      2.19853  8.88786      2.00458  37.8997     59.9243     15.3681     59.9243     
1 1 1 7  2  51 o 25.0417 4.74701 3.50784      1.86103  4.56545      1.8946   18.5005     40.9859     0.667176    220.986     
1 1 1 7  2  52 o 69.8201 2.63392 26.8942      2.74171  29.0724      2.90229  81.2904     39.5974     41.5861     39.5974     
1 1 1 7  2  53 o 15.3543 4.49711 1.85119      1.85925  -0.528983    1.79253  3.38934     193.971     0.303395    193.971     
1 1 1 7  2  54 o 16.2697 4.68716 1.53651      1.82748  0.961528     1.88715  8.07368     247.563     6.72155     67.5633     
1 1 1 7  2  55 o 27.857  5.08968 2.28568      2.5493   9.01308      2.51378  25.0035     121.592     6.18198     121.592     
1 1 1 7  2  56 o 19.7549 4.88391 1.38078      1.9195   3.96406      1.96278  14.6793     158.383     0.84219     158.383     
1 1 1 7  2  57 o 24.6528 5.55666 6.23165      2.45408  3.59578      2.49158  25.115      84.8657     14.1745     84.8657     
1 1 1 7  2  58 o 29.0246 5.40073 7.81621      2.28117  5.68105      2.80618  28.8269     353.021     11.9084     353.021     
1 1 1 7  2  59 o 18.2968 4.9271  1.28278      1.98245  3.63856      2.03915  13.376      330.93      3.71272     330.93      
1 1 1 7  2  60 o 15.8449 4.77731 0.741099     1.99854  2.161        2.14208  5.76612     166.842     0.197311    346.842     
1 1 1 7  2  61 o 14.6587 4.53457 2.41119      2.13144  -1.33826     2.02428  1.85383     76.8449     1.68693     256.845     
1 1 1 7  2  62 o 13.2928 4.37482 0.981743     2.31828  -0.752149    2.01432  1.37723     193.266     0.559218    13.2658     
1 1 1 7  2  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  3  0  o 236.786 1.86083 305.407      6.78314  305.407      6.78314  217.648     90          17.3119     270         
1 1 1 7  3  1  o 112.491 1.9144  67.0242      3.31044  70.831       3.32034  71.7948     144.587     15.0372     324.587     
1 1 1 7  3  2  o 337.037 1.92867 609.957      9.67354  627.354      10.3427  360.883     203.45      93.0726     203.45      
1 1 1 7  3  3  o 499.869 2.04648 1360.26      14.5945  1361.36      16.832   537.32      333.465     129.42      333.465     
1 1 1 7  3  4  o 372.348 1.93563 751.928      10.721   758.131      11.4663  344.73      120.355     10.5223     300.355     
1 1 1 7  3  5  o 424.355 1.88126 991.501      12.299   969.835      12.2865  448.112     40.0332     97.0718     40.0332     
1 1 1 7  3  6  o 282.991 1.93165 424.548      8.12363  447.828      8.71259  216.363     16.2022     94.9185     196.202     
1 1 1 7  3  7  o 119.273 2.09979 80.5029      3.54828  74.558       4.11361  46.1378     81.3497     108.756     261.35      
1 1 1 7  3  8  o 201.876 1.95087 230.948      5.85145  213.089      6.248    177.059     82.6117     10.4058     262.612     
1 1 1 7  3  9  o 312.584 1.87706 540.912      9.0382   523.296      9.03031  359.191     41.7542     139.241     41.7542     
1 1 1 7  3  10 o 475.695 1.90132 1219.32      13.9257  1245.22      13.9282  400.551     184.367     98.2972     4.36698     
1 1 1 7  3  11 o 274.426 2.02154 417.582      8.55031  402.709      8.53338  259.32      38.2057     10.0682     38.2057     
1 1 1 7  3  12 o 252.569 2.36566 348.585      9.20172  346.256      9.19965  262.704     243.745     61.711      243.745     
1 1 1 7  3  13 o 313.621 2.38423 536.131      11.5108  535.25       11.518   333.723     95.4049     85.3044     95.4049     
1 1 1 7  3  14 o 321.063 2.09855 555.691      9.95071  567.089      10.7906  333.948     352.133     72.5117     352.133     
1 1 1 7  3  15 o 389.111 2.10851 830.856      12.1618  818.318      13.0817  396.386     319.052     66.5362     319.052     
1 1 1 7  3  16 o 311.936 2.19661 539.417      10.5594  520.575      10.5411  312.325     328.488     50.0739     328.488     
1 1 1 7  3  17 o 389.626 2.55388 846.826      14.4924  807.317      16.0683  336.31      12.706      53.4567     192.706     
1 1 1 7  3  18 o 163.559 2.59107 139.519      6.23443  152.094      6.82046  25.8815     252.505     239.195     72.5051     
1 1 1 7  3  19 o 397.054 1.97233 858.092      11.6612  859.277      12.445   427.087     51.4838     116.775     51.4838     
1 1 1 7  3  20 o 37.9178 3.2835  8.88417      1.87564  7.07985      1.85782  59.5152     171.496     148.827     171.496     
1 1 1 7  3  21 o 270.667 2.04199 401.811      8.51223  396.409      8.50942  305.714     56.7131     115.8       56.7131     
1 1 1 7  3  22 o 119.061 1.98777 77.576       3.64346  76.8824      3.64525  75.5167     140.371     55.508      320.371     
1 1 1 7  3  23 o 226.051 1.99107 283.018      6.67804  273.862      7.1655   211.616     56.0335     7.65412     56.0335     
1 1 1 7  3  24 o 261.682 2.03912 369.455      8.21524  376.908      8.21791  287.247     18.9861     91.6025     18.9861     
1 1 1 7  3  25 o 58.5279 2.47946 20.3045      2.32617  17.2493      2.12337  20.5606     162.717     2.12707     342.717     
1 1 1 7  3  26 o 95.6474 2.06457 49.3566      3.0446   50.4721      3.02948  59.0304     112.238     47.3471     292.238     
1 1 1 7  3  27 o 41.6739 2.86674 9.43704      1.85668  9.70026      1.77344  0.0825179   106.111     28.0782     286.111     
1 1 1 7  3  28 o 82.7705 2.29237 36.6328      3.08646  38.2186      2.72547  72.5947     65.454      31.073      65.454      
1 1 1 7  3  29 o 69.7742 2.30309 27.575       2.52751  25.6688      2.40836  4.06682     251.59      110.548     71.5898     
1 1 1 7  3  30 o 94.9164 2.0969  49.2641      3.07019  49.0935      3.05198  78.1347     47.7725     7.85197     227.773     
1 1 1 7  3  31 o 248.654 1.93323 338.562      7.40087  335.696      7.40374  233.185     213.941     8.21096     213.941     
1 1 1 7  3  32 o 114.523 2.07091 72.9191      3.64874  70.2558      3.64855  103.32      84.2525     2.85201     84.2525     
1 1 1 7  3  33 o 24.6797 4.34746 4.27449      1.65023  2.67835      1.68552  8.27793     259.936     28.5714     259.936     
1 1 1 7  3  34 o 138.782 2.02721 104.389      4.32425  105.783      4.34035  111.068     66.7419     28.8511     246.742     
1 1 1 7  3  35 o 69.1718 2.55077 25.5604      2.71048  26.893       2.70317  45.7322     311.636     27.7029     131.636     
1 1 1 7  3  36 o 180.355 2.11337 176.698      5.86629  178.63       5.87244  175.671     219.121     22.7625     219.121     
1 1 1 7  3  37 o 86.1703 2.41013 42.3695      3.20637  39.0475      3.17429  76.716      320.084     1.98359     320.084     
1 1 1 7  3  38 o 39.926  4.18135 6.58744      2.40182  11.8111      2.43003  23.6767     345.741     4.77309     165.741     
1 1 1 7  3  39 o 26.6804 4.21409 2.75935      1.68783  5.5723       1.74304  4.49104     254.32      17.0158     74.3201     
1 1 1 7  3  40 o 51.6627 3.04787 15.8486      2.50172  13.8488      2.30455  40.8175     302.109     5.19978     122.109     
1 1 1 7  3  41 o 22.3832 4.85956 2.79314      1.7628   2.9375       1.90862  5.57        338.32      6.80052     158.32      
1 1 1 7  3  42 o 44.1697 3.19088 10.4727      2.13094  11.4641      2.14535  31.4056     308.734     13.3588     128.734     
1 1 1 7  3  43 o 54.839  2.82783 17.2413      2.37427  16.3323      2.36759  43.7748     132.874     8.53293     312.874     
1 1 1 7  3  44 o 15.1463 4.22795 1.55785      1.52678  -0.391193    1.55412  5.89738     47.4829     31.6497     47.4829     
1 1 1 7  3  45 o 53.0812 2.96175 15.105       2.39758  16.6399      2.4002   46.023      229.9       0.385586    49.9003     
1 1 1 7  3  46 o 14.1081 4.21941 -0.0930791   1.62178  0.52633      1.55657  0.126561    303.641     15.1971     303.641     
1 1 1 7  3  47 f 97.3441 2.20463 48.9483      3.28269  56.477       3.30663  75.2578     326.145     0           0           
1 1 1 7  3  48 o 24.3693 4.61462 3.67654      1.76022  3.68559      1.77218  21.5513     270.272     9.49452     270.272     
1 1 1 7  3  49 o 71.2442 2.49204 31.329       2.70732  26.0068      2.72241  64.4312     236.72      3.7674      236.72      
1 1 1 7  3  50 o 22.6234 4.7648  2.71094      1.78575  3.74307      1.81128  16.2076     179.707     3.35537     179.707     
1 1 1 7  3  51 o 44.7186 3.25644 13.9128      2.17338  9.69703      2.17307  50.091      95.9471     25.4199     95.9471     
1 1 1 7  3  52 o 26.8636 4.88907 4.66808      2.12027  4.9345       1.95445  19.0952     134.983     4.62485     314.983     
1 1 1 7  3  53 o 22.4653 5.03338 3.48369      2.00978  3.44549      1.89704  19.3821     357.02      8.00822     357.02      
1 1 1 7  3  54 o 26.2741 5.42811 4.44944      2.11749  5.64514      2.55163  26.607      42.5793     14.7976     42.5793     
1 1 1 7  3  55 o 12.9476 4.26715 -2.81583     2.18437  0.142912     2.11584  0.678616    116.105     0.579169    296.105     
1 1 1 7  3  56 o 23.3717 5.30996 3.41206      2.14845  4.92882      2.23698  19.7303     30.7476     3.66405     30.7476     
1 1 1 7  3  57 o 12.8619 4.27887 -2.20471     2.22875  -0.120638    2.18742  5.46928     354.88      2.3999      174.88      
1 1 1 7  3  58 o 17.4178 4.98456 1.46862      1.96865  2.67596      2.19584  11.756      113.895     2.18033     113.895     
1 1 1 7  3  59 o 29.517  5.45476 7.37119      2.39535  6.94493      2.63741  30.6094     54.5983     15.4309     54.5983     
1 1 1 7  3  60 o 32.0589 5.10532 8.09975      2.57784  7.98282      2.34214  30.0786     93.9735     9.84334     93.9735     
1 1 1 7  3  61 o 20.0302 5.33747 4.60756      2.31895  2.28064      2.34561  11.573      258.462     2.03519     258.462     
1 1 1 7  3  62 o 15.7751 4.80516 0.570853     2.24039  2.74438      2.14618  7.88925     115.148     0.823677    295.148     
1 1 1 7  3  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  4  0  o 200.63  2.0006  219.308      6.17802  219.308      6.17802  203.598     90          24.443      90          
1 1 1 7  4  1  o 291.441 2.00971 468.982      9.66286  456.184      8.34442  250.416     303.063     41.5705     123.063     
1 1 1 7  4  2  o 291.95  1.92774 464.277      8.95536  464.049      8.36794  250.26      7.51719     42.9214     187.517     
1 1 1 7  4  3  o 380.238 1.87304 787.277      10.9681  787.38       10.9661  389.136     55.9192     65.0238     55.9192     
1 1 1 7  4  4  o 184.157 1.88169 174.643      5.32274  194.997      5.33819  107.428     91.6593     118.772     271.659     
1 1 1 7  4  5  o 201.738 1.87124 224.904      5.81554  218.367      5.80981  160.509     49.1733     44.4647     229.173     
1 1 1 7  4  6  o 435.252 1.88564 1048.31      12.6406  1015.06      12.6337  447.729     291.073     75.9185     291.073     
1 1 1 7  4  7  o 214.966 1.8746  248.396      6.2      254.896      6.21007  178.398     105.052     35.0691     285.052     
1 1 1 7  4  8  o 351.726 1.87756 689.232      10.1762  658.272      10.1586  323.044     315.572     12.987      135.572     
1 1 1 7  4  9  f 274.65  1.94848 400.566      8.50144  421.105      7.95328  241.389     356.436     0           0           
1 1 1 7  4  10 o 141.716 2.13803 106.547      4.4675   112.231      4.8635   86.7912     178.666     73.4528     358.666     
1 1 1 7  4  11 o 547.909 2.25741 1642.67      17.4101  1627.2       20.5384  501.747     303.973     32.114      123.973     
1 1 1 7  4  12 o 224.142 2.38363 280.259      8.23407  267.062      8.21712  213.909     1.06307     20.4015     1.06307     
1 1 1 7  4  13 o 127.286 2.25399 81.5754      4.38447  95.2248      4.43066  57.9536     208.676     100.408     28.6757     
1 1 1 7  4  14 o 341.28  2.01676 623.37       10.5858  645.319      10.6097  356.214     159.007     79.7524     159.007     
1 1 1 7  4  15 o 289.506 2.20397 465.562      9.81898  447.488      9.82885  270.487     272.379     9.09359     272.379     
1 1 1 7  4  16 o 304.381 2.19414 507.753      10.2869  501.467      10.2812  334.993     156.778     115.155     156.778     
1 1 1 7  4  17 o 468.53  2.12158 1178.49      15.8378  1212.91      14.7379  438.785     215.564     2.5497      215.564     
1 1 1 7  4  18 o 84.7366 2.29392 31.9813      2.93289  47.0919      2.96326  3.84147     254.922     124.409     254.922     
1 1 1 7  4  19 o 304.392 1.96815 511.334      8.90325  498.078      9.52742  264.032     205.502     33.966      25.502      
1 1 1 7  4  20 o 53.5981 2.42277 17.1837      1.97852  14.3166      1.98576  28.0903     344.128     113.844     344.128     
1 1 1 7  4  21 o 152.343 2.18346 124.838      4.9424   128.078      5.29977  117.881     219.964     34.7625     39.9641     
1 1 1 7  4  22 o 27.4756 4.23356 4.44338      1.6349   4.11695      1.84556  44.1667     2.22475     106.875     2.22475     
1 1 1 7  4  23 o 264.839 1.97225 371.668      7.76839  392.847      8.3194   222.491     245.842     45.6677     65.8417     
1 1 1 7  4  24 o 87.4245 2.19412 40.6526      2.83587  42.7855      3.06237  45.2297     98.8564     57.1111     278.856     
1 1 1 7  4  25 o 131.248 2.12227 94.5988      4.29083  93.198       4.28754  148.263     11.1806     69.1611     11.1806     
1 1 1 7  4  26 o 218.419 1.9907  266.356      6.94348  253.783      6.44747  220.244     202.36      39.7829     202.36      
1 1 1 7  4  27 o 203.419 1.9322  226.106      6.05932  225.002      6.04564  189.986     211.517     7.86558     211.517     
1 1 1 7  4  28 o 161.901 1.95705 143.45       4.87896  142.344      4.87925  145.761     197.755     0.930524    17.7554     
1 1 1 7  4  29 o 148.741 1.97499 115.77       4.50713  125.577      4.53558  139.192     123.904     10.6824     123.904     
1 1 1 7  4  30 o 95.4652 2.10925 50.9107      3.10879  48.6071      3.0843   70.4211     120.977     26.3727     300.977     
1 1 1 7  4  31 o 150.28  2.05705 123.024      4.91289  123.316      4.60226  151.173     214.489     30.7252     214.489     
1 1 1 7  4  32 o 84.9449 2.4213  34.0199      3.28226  45.2765      2.92746  68.5351     96.7235     8.86624     276.724     
1 1 1 7  4  33 o 107.107 2.17828 59.7624      3.67513  65.61        3.48522  91.0582     156.501     7.0858      336.501     
1 1 1 7  4  34 o 161.941 2.1302  147.408      5.3188   138.911      5.30239  148.131     190.676     2.38255     190.676     
1 1 1 7  4  35 o 198.639 2.18996 213.299      6.42188  217.676      6.96924  214.207     157.71      66.4983     157.71      
1 1 1 7  4  36 o 31.3064 4.21473 6.49256      1.96331  4.72634      1.94322  13.0831     5.66217     74.7349     5.66217     
1 1 1 7  4  37 o 102.513 2.48041 56.1453      3.90113  59.0802      3.91688  95.3168     158.335     8.54448     158.335     
1 1 1 7  4  38 o 61.1338 2.86663 19.0679      2.65561  22.2323      2.70177  42.6325     39.3076     18.6657     219.308     
1 1 1 7  4  39 o 22.2059 4.84711 2.90472      1.83619  2.64048      1.81186  0.664398    348.485     17.1292     348.485     
1 1 1 7  4  40 o 75.7511 2.3969  32.6578      2.68725  30.5356      2.8778   78.0777     289.783     23.8864     289.783     
1 1 1 7  4  41 o 51.3454 2.99524 16.436       2.39487  13.0511      2.28517  41.6057     183.378     5.15796     3.3782      
1 1 1 7  4  42 o 56.4332 2.86423 19.8334      2.26066  15.7742      2.5998   65.3564     312.18      34.0399     312.18      
1 1 1 7  4  43 o 49.8918 2.98096 15.9057      2.2496   12.1298      2.25069  17.1255     122.931     53.5882     302.931     
1 1 1 7  4  44 o 16.1038 4.44837 1.66033      1.65926  0.107827     1.63569  1.88134     43.7804     10.0316     223.78      
1 1 1 7  4  45 o 35.1028 3.58675 5.89747      1.85984  8.43812      1.8485   27.7558     22.6892     2.67539     202.689     
1 1 1 7  4  46 o 49.2017 3.10609 11.6128      2.27556  16.0315      2.33724  52.1988     306.043     19.8244     306.043     
1 1 1 7  4  47 o 29.5701 4.27605 3.0167       1.97289  7.809        1.82964  23.9414     1.48925     1.27504     181.489     
1 1 1 7  4  48 o 38.9293 3.40556 9.09519      1.98844  8.552        2.00479  21.4352     30.3272     24.3449     210.327     
1 1 1 7  4  49 o 32.2133 3.99311 5.75427      1.89761  6.80915      1.91356  19.7887     354.847     14.2672     174.847     
1 1 1 7  4  50 o 43.7202 3.24944 10.4227      2.13768  11.8661      2.16518  38.3252     293.645     2.28198     293.645     
1 1 1 7  4  51 o 17.4012 4.75546 1.88553      1.89303  1.20642      1.73355  7.38306     56.4842     2.57436     236.484     
1 1 1 7  4  52 o 15.1997 4.54591 1.12185      1.8039   0.0551559    1.91483  5.09873     174.474     6.17667     354.474     
1 1 1 7  4  53 o 16.716  4.91588 1.49955      2.07036  0.88959      2.12394  9.58487     279.536     0.835193    99.5358     
1 1 1 7  4  54 o 16.149  4.89749 0.492892     2.20761  1.24933      2.17271  6.25778     174.748     1.56635     174.748     
1 1 1 7  4  55 o 18.1941 4.97228 1.63833      1.97667  2.55659      2.00807  9.93538     355.589     5.35504     175.589     
1 1 1 7  4  56 o 12.0516 4.02648 -1.5872      1.97985  -0.906443    1.95749  3.40973     107.113     1.63494     287.113     
1 1 1 7  4  57 o 15.1318 4.68576 0.705942     2.29085  0.883331     1.88801  6.66838     190.488     2.16875     190.488     
1 1 1 7  4  58 o 23.3015 5.5602  4.87691      2.43784  4.30031      2.29503  16.5884     130.018     3.06253     310.018     
1 1 1 7  4  59 o 14.013  4.41349 -0.452328    1.95407  1.26863      1.96653  6.12445     72.6861     1.144       252.686     
1 1 1 7  4  60 o 15.4755 4.7533  1.16558      2.05772  1.32373      2.15323  4.81272     319.893     7.52559     139.893     
1 1 1 7  4  61 o 15.6156 4.74881 0.150706     2.00739  2.56903      2.21142  0.498926    130.694     0.0607008   310.694     
1 1 1 7  4  62 o 15.2114 4.84967 0.173068     2.21921  2.56931      2.59186  7.31142     48.2725     3.69318     228.273     
1 1 1 7  4  63 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  5  0  o 396.085 1.87641 854.33       11.4436  854.33       11.4436  267.284     270         219.799     90          
1 1 1 7  5  1  o 390.551 1.87538 846.592      11.2845  814.766      11.2699  348.107     184.572     37.6634     4.57204     
1 1 1 7  5  2  o 268.412 1.86668 386.371      7.71158  398.314      7.71811  282.274     200.368     71.7385     200.368     
1 1 1 7  5  3  o 316.649 1.8689  554.92       9.11922  537.145      9.10485  260.192     193.712     71.063      13.7123     
1 1 1 7  5  4  o 390.966 1.87794 851.506      11.3138  813.439      11.2943  344.027     315.19      46.6146     135.19      
1 1 1 7  5  5  f 214.15  2.02981 248.879      7.16354  250.597      6.18442  241.626     155.001     0           0           
1 1 1 7  5  6  o 371.268 2.0284  757.054      12.4202  744.228      10.7248  448.986     5.07334     206.742     5.07334     
1 1 1 7  5  7  o 190.723 1.96684 204.485      5.57476  191.786      5.95525  175.142     222.377     9.81219     222.377     
1 1 1 7  5  8  o 242.263 2.01523 326.373      7.52416  312.924      7.50965  276.429     22.5372     114.375     22.5372     
1 1 1 7  5  9  o 249.234 2.01369 329.398      7.72046  347.263      7.73256  216.31      68.8984     26.7091     248.898     
1 1 1 7  5  10 o 289.345 2.02012 449.832      9.00576  462.045      8.99456  266.867     78.3164     3.1655      258.316     
1 1 1 7  5  11 o 327.028 2.08747 585.889      10.1172  578.969      10.8882  326.402     119.021     45.0564     119.021     
1 1 1 7  5  12 o 150.38  2.23141 128.021      5.1652   118.396      5.16348  119.481     160.795     16.1161     340.795     
1 1 1 7  5  13 o 257.508 2.27836 373.958      9.4277   348.565      8.64338  205.957     173.258     60.4359     353.258     
1 1 1 7  5  14 o 268.852 2.18814 387.901      9.05236  399.477      9.06424  279.823     10.4969     72.1042     10.4969     
1 1 1 7  5  15 o 477.733 2.4794  1253.63      16.3175  1232.79      19.9492  475.498     90.7719     58.4271     90.7719     
1 1 1 7  5  16 o 327.855 2.19931 609.909      11.1186  561.517      11.0758  276.29      295.673     51.7897     115.673     
1 1 1 7  5  17 o 35.9813 3.32707 9.27194      1.73331  5.35586      1.74237  29.1155     315.682     68.2303     315.682     
1 1 1 7  5  18 o 208.735 2.04623 229.122      6.5671   245.686      6.58179  216.45      87.6937     65.7012     87.6937     
1 1 1 7  5  19 f 265.643 1.96919 386.998      7.80055  381.794      8.29847  272.333     214.893     0           0           
1 1 1 7  5  20 o 279.089 1.89928 432.674      8.16807  416.012      8.15477  295.507     257.472     77.8329     257.472     
1 1 1 7  5  21 o 196.727 1.91635 200.04       5.78958  221.932      5.81048  210.726     31.4904     67.0558     31.4904     
1 1 1 7  5  22 o 172.47  2.08548 171.666      5.54857  152.793      5.51656  100.316     298.308     114.064     118.308     
1 1 1 7  5  23 o 314.721 2.03411 534.834      9.85418  544.751      9.86134  287.972     36.7663     8.45489     216.766     
1 1 1 7  5  24 o 62.2273 2.4341  23.0032      2.21267  19.4294      2.40037  4.63047     274.875     90.8996     94.8749     
1 1 1 7  5  25 o 121.213 2.05548 80.0083      3.68963  80.1633      3.97844  117.14      182.261     23.1951     182.261     
1 1 1 7  5  26 o 123.346 2.2342  79.9435      4.0844   86.1432      4.39735  98.4845     347.852     21.1904     167.852     
1 1 1 7  5  27 o 202.786 2.26488 212.936      6.44273  235.895      7.69676  208.904     350.792     48.7563     350.792     
1 1 1 7  5  28 f 65.7721 2.4686  21.7205      2.29367  25.7022      2.69329  31.2946     203.524     0           0           
1 1 1 7  5  29 o 73.2849 2.27913 26.4745      2.55582  32.3819      2.55539  54.8755     313.782     8.16955     133.782     
1 1 1 7  5  30 o 74.2024 2.24829 28.3834      2.55526  31.8512      2.56472  25.1406     357.377     78.8396     177.377     
1 1 1 7  5  31 o 218.36  1.95105 262.089      6.56404  257.924      6.5565   215.403     27.1782     31.2126     27.1783     
1 1 1 7  5  32 o 147.282 2.01024 115.497      4.54884  121.172      4.56802  117.407     141.709     31.6255     321.709     
1 1 1 7  5  33 o 119.079 2.08876 75.8957      3.81967  78.9123      3.83667  120.777     127.962     30.7036     127.962     
1 1 1 7  5  34 o 75.9187 2.4752  31.2258      2.86951  31.8897      2.90226  47.7817     258.218     36.5442     78.2177     
1 1 1 7  5  35 o 148.928 2.43407 125.449      5.84624  117.116      5.31866  141.996     75.8935     14.268      75.8935     
1 1 1 7  5  36 o 115.88  2.3222  76.7548      4.29833  70.2965      3.98276  122.925     164.457     39.401      164.457     
1 1 1 7  5  37 o 105.069 2.48546 59.4561      4.28465  61.6254      3.71402  81.4014     187.782     24.6148     7.78222     
1 1 1 7  5  38 o 174.089 2.29852 167.202      6.1694   164.868      6.15408  158.706     261.705     2.49056     261.705     
1 1 1 7  5  39 o 79.5098 2.59139 34.606       3.1571   35.0266      3.17141  81.877      287.766     25.2752     287.766     
1 1 1 7  5  40 o 40.7217 3.1999  6.85066      1.88694  12.1029      1.91926  24.1166     291.239     19.1314     111.239     
1 1 1 7  5  41 o 87.1529 2.49567 44.0649      3.20111  39.8828      3.45829  62.03       263.699     31.8285     83.6993     
1 1 1 7  5  42 o 98.0123 2.32606 48.7286      3.48583  57.5283      3.50861  76.9677     243.271     21.5632     63.2715     
1 1 1 7  5  43 o 35.3857 3.55536 5.5227       1.82562  9.03348      1.84595  35.6506     160.404     16.976      160.404     
1 1 1 7  5  44 o 40.3882 3.5094  8.70445      2.07551  10.0046      2.1962   34.6693     145.379     1.35774     145.379     
1 1 1 7  5  45 o 86.0738 2.42804 43.5003      3.21779  38.9702      3.19906  85.3971     246.053     18.4035     246.053     
1 1 1 7  5  46 o 56.313  2.90558 17.1182      2.27435  18.709       2.72441  49.9988     172         1.41312     172         
1 1 1 7  5  47 o 16.6112 4.54998 -0.279771    1.7561   2.18142      1.78562  4.05405     237.22      16.2302     57.2204     
1 1 1 7  5  48 o 19.7908 4.70445 1.18363      1.86017  3.18544      1.71431  11.9339     240.385     0.866986    60.3849     
1 1 1 7  5  49 o 17.4995 4.59346 0.382259     1.63915  2.60185      1.81773  5.76722     274.587     11.3811     94.5871     
1 1 1 7  5  50 o 25.3701 4.80418 4.2111       1.82194  4.03285      2.01301  18.6654     20.7184     0.663805    200.718     
1 1 1 7  5  51 o 44.171  3.38599 11.1376      2.24462  12.023       2.28638  41.0523     86.598      7.19832     86.598      
1 1 1 7  5  52 o 26.3126 4.71303 3.71692      1.91874  5.54007      1.95135  18.9371     236.651     4.17749     56.6514     
1 1 1 7  5  53 o 18.7585 5.04837 3.56351      2.17085  0.150062     2.23361  12.5029     29.5648     5.79773     29.5648     
1 1 1 7  5  54 o 12.4855 4.09855 -0.29493     1.88589  -1.68111     1.93561  2.6928      239.454     6.80953     59.4542     
1 1 1 7  5  55 o 25.6977 5.57616 5.51391      2.64448  4.687        2.19397  20.0363     326.804     0.171487    146.804     
1 1 1 7  5  56 o 19.4645 5.17542 2.8132       2.00136  2.70261      2.22237  16.4417     347.483     8.41685     347.483     
1 1 1 7  5  57 f 14.715  4.49839 -0.114737    1.89698  1.5404       1.91825  16.768      249.935     0           0           
1 1 1 7  5  58 o 16.0069 4.85399 1.93073      2.16487  0.728486     2.15919  7.36875     244.829     7.65298     64.829      
1 1 1 7  5  59 o 20.1848 5.18506 4.28283      2.06681  2.25689      2.33338  15.1495     123.017     7.24737     123.017     
1 1 1 7  5  60 o 21.109  5.36091 4.59687      2.24296  3.04452      2.28379  12.9343     145.567     3.30877     145.567     
1 1 1 7  5  61 o 13.107  4.32771 -0.126574    2.14809  -0.240736    2.1643   2.13148     5.27523     3.49635     185.275     
1 1 1 7  5  62 o 13.4576 4.38846 0.443234     2.05498  0.278664     2.17649  5.79151     208.524     2.35635     28.5243     
1 1 1 7  6  0  o 221.917 1.87769 268.26       6.41451  268.26       6.41451  296.165     270         171.308     270         
1 1 1 7  6  1  o 566.833 1.91611 1739.34      16.7221  1759.96      16.7274  557.22      163.305     44.6563     163.304     
1 1 1 7  6  2  o 307.748 1.87036 529.205      8.87054  502.433      8.85268  262.309     356.817     48.283      176.817     
1 1 1 7  6  3  o 806.384 1.99853 3577.32      24.8273  3504.93      24.8041  920.672     166.812     315.678     166.812     
1 1 1 7  6  4  o 168.537 1.89617 159.938      4.92581  149.507      4.91265  147.189     41.492      0.669227    221.492     
1 1 1 7  6  5  o 380.048 1.88058 789.622      11.0055  783.439      11.0058  330.088     171.865     52.1205     351.865     
1 1 1 7  6  6  o 555.064 2.05175 1646.61      17.5246  1709.29      17.5454  552.654     198.417     58.8935     198.417     
1 1 1 7  6  7  o 499.678 2.03671 1350.05      15.6716  1369.34      15.6707  467.855     101.822     5.04744     281.822     
1 1 1 7  6  8  o 332.404 2.01546 591.282      10.3155  612.234      10.3151  362.922     221.057     108.903     221.057     
1 1 1 7  6  9  o 279.835 2.09017 441.519      9.3762   411.649      8.63993  226.574     169.621     64.8882     349.621     
1 1 1 7  6  10 o 554.486 2.07423 1692.91      18.9819  1655.93      16.3705  508.721     50.4475     25.8172     230.448     
1 1 1 7  6  11 o 94.8461 2.37781 48.6451      3.46811  49.4705      3.4664   10.6363     154.814     124.864     334.814     
1 1 1 7  6  12 o 164.336 2.43304 153.515      6.15274  140.812      6.15268  148.398     117.975     21.6728     117.975     
1 1 1 7  6  13 o 538.715 2.21405 1600.3       18.3748  1561.08      18.3571  437.269     209.08      135.975     29.0801     
1 1 1 7  6  14 o 334.743 2.37984 613.629      12.266   607.075      12.2683  314.711     317.316     13.0852     317.316     
1 1 1 7  6  15 o 358.688 2.02404 712.912      11.185   688.635      11.1719  267.117     185.025     130.139     5.02478     
1 1 1 7  6  16 o 162.187 2.01969 140.001      5.18315  146.585      4.89235  126.042     153.678     22.252      333.678     
1 1 1 7  6  17 o 131.569 2.09982 94.4898      4.25836  94.0992      4.25019  46.5105     18.4816     132.275     198.482     
1 1 1 7  6  18 o 126.987 2.20178 87.6989      4.12904  88.0635      4.47193  38.4167     182.907     143.529     2.90735     
1 1 1 7  6  19 o 144.201 2.22541 108.531      4.34344  118.167      5.51331  120.087     336.481     9.64219     156.481     
1 1 1 7  6  20 o 130.949 2.05138 95.8055      3.98888  91.0788      4.2703   21.8247     3.1043      191.708     183.104     
1 1 1 7  6  21 o 50.7358 2.46534 14.1623      1.91796  14.0332      1.91083  33.6346     222.99      141.149     222.99      
1 1 1 7  6  22 o 228.835 1.90924 288.326      6.73065  282.356      6.72441  172.797     66.097      75.9934     246.097     
1 1 1 7  6  23 o 114.309 2.09896 69.7895      3.82586  72.7141      3.54725  52.7396     239.247     98.2792     59.2467     
1 1 1 7  6  24 o 182.851 2.0701  186.4        5.83103  178.133      5.82441  174.584     44.5409     16.6815     44.5409     
1 1 1 7  6  25 o 224.55  2.05457 278.152      7.10687  271.602      7.10113  187.909     175.666     36.6457     355.666     
1 1 1 7  6  26 f 109.493 2.03491 73.9587      3.43172  57.3399      3.38949  143.926     101.163     0           0           
1 1 1 7  6  27 o 77.3189 2.37548 31.9568      2.80829  33.3977      2.83429  44.307      62.7428     37.8489     242.743     
1 1 1 7  6  28 o 120.313 2.17307 74.0147      4.01202  84.0954      4.0244   90.122      182.226     33.8166     2.22584     
1 1 1 7  6  29 o 145.004 2.07298 114.542      4.78371  114.793      4.46806  93.0468     125.498     77.105      305.498     
1 1 1 7  6  30 o 151.732 2.42595 125.65       5.43762  125.643      5.88973  159.572     43.5863     46.0427     43.5863     
1 1 1 7  6  31 o 151.192 2.14443 123.99       4.64706  125.418      5.31914  165.878     25.0961     60.7006     25.0961     
1 1 1 7  6  32 o 170.139 2.05328 157.253      5.19909  158.599      5.55541  201.291     1.1376      97.123      1.1376      
1 1 1 7  6  33 o 152.68  2.13808 123.512      5.01759  130.998      5.03324  144.061     328.751     12.5532     328.751     
1 1 1 7  6  34 o 66.4858 2.84141 22.2522      2.87344  26.3903      2.90318  42.882      351.736     28.3801     171.736     
1 1 1 7  6  35 o 62.7063 2.74502 19.8383      2.62668  23.458       2.63423  29.1652     238.371     50.23       58.3711     
1 1 1 7  6  36 o 70.9767 2.5851  28.7157      2.82221  26.6328      2.807    71.769      160.782     24.7893     160.782     
1 1 1 7  6  37 o 66.6061 3.03656 25.7045      3.25099  23.3119      2.9466   66.0924     283.639     21.9668     283.639     
1 1 1 7  6  38 o 68.1475 2.60842 24.1252      2.71573  27.0691      2.73214  77.3472     134.179     42.4491     134.179     
1 1 1 7  6  39 o 50.2105 3.11878 11.7502      2.37831  16.5188      2.32289  25.2551     348.624     35.3661     168.624     
1 1 1 7  6  40 o 57.3523 2.68227 17.5528      2.45141  18.91        2.24332  55.6967     82.4895     13.1026     82.4895     
1 1 1 7  6  41 o 83.7393 2.403   39.6876      3.29336  37.7826      2.88569  87.3285     198.065     26.0686     198.065     
1 1 1 7  6  42 o 44.1851 3.18194 10.5692      2.11862  11.4479      2.14911  42.036      241.602     9.62389     241.602     
1 1 1 7  6  43 o 24.4289 4.48319 4.16817      1.64421  2.93114      1.80045  14.6055     253.174     5.23879     73.1744     
1 1 1 7  6  44 o 13.6617 4.06177 1.00463      1.535    -1.03622     1.52155  14.6615     195.167     48.83       195.167     
1 1 1 7  6  45 o 90.5252 2.61819 51.2175      3.64097  40.6095      3.60767  96.6462     205.958     33.2404     205.958     
1 1 1 7  6  46 o 54.6778 2.99274 17.6646      2.57678  16.2495      2.42443  40.0756     60.5619     15.7702     240.562     
1 1 1 7  6  47 o 42.0337 3.65293 11.7525      2.06052  8.98569      2.43309  30.7868     320.653     10.9076     140.653     
1 1 1 7  6  48 f 22.1339 4.78819 1.47906      1.907    4.43867      1.91978  16.1658     110.902     0           0           
1 1 1 7  6  49 o 15.3679 4.40706 1.46372      1.6793   0.00516286   1.65659  3.1696      273.122     3.35958     93.1219     
1 1 1 7  6  50 o 15.3219 4.45412 1.33064      1.70123  0.0610838    1.74522  3.71246     122.58      4.76345     302.58      
1 1 1 7  6  51 o 12.2353 3.97489 -0.635105    1.70935  -0.97208     1.71681  0.0346574   356.42      11.5474     356.419     
1 1 1 7  6  52 o 14.4498 4.47475 -1.17013     2.05069  1.06411      1.90616  2.64242     307.307     14.2457     127.307     
1 1 1 7  6  53 o 27.6447 5.06997 7.18033      2.32707  3.69627      2.17506  18.6269     14.6782     8.1306      194.678     
1 1 1 7  6  54 o 13.6677 4.34717 -0.153491    1.88802  -0.0525784   1.94441  3.97774     147.041     3.98325     327.041     
1 1 1 7  6  55 o 26.664  5.39573 5.00277      2.16792  5.8054       2.4887   20.863      280.535     0.856714    100.535     
1 1 1 7  6  56 o 20.3372 5.10904 2.51772      2.06182  3.67281      2.0142   14.3827     139.67      2.44876     319.67      
1 1 1 7  6  57 o 14.2635 4.322   -1.91877     1.89251  2.18478      1.89018  5.42509     99.6274     8.30411     279.627     
1 1 1 7  6  58 o 16.3349 4.8609  2.51267      2.21149  0.686432     2.00076  9.81552     330.704     0.359432    150.705     
1 1 1 7  6  59 o 27.9451 5.37767 6.47605      2.32878  6.4399       2.42419  23.0581     124.25      2.72244     124.25      
1 1 1 7  6  60 o 29.5041 5.29199 7.20747      2.49555  7.00506      2.32146  25.1191     82.9649     6.03712     82.9649     
1 1 1 7  6  61 f 26.9805 5.24429 8.68369      2.41425  4.41581      2.39869  19.7037     13.4735     0           0           
1 1 1 7  6  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  7  0  o 247.516 1.88029 333.695      7.16485  333.695      7.16485  147.212     270         174.432     90          
1 1 1 7  7  1  o 307.663 1.87572 499.828      8.87408  531.317      8.89338  310.462     75.2554     51.4188     75.2554     
1 1 1 7  7  2  o 245.259 1.87912 326.268      7.09583  328.854      7.09793  306.032     66.6717     173.943     66.6717     
1 1 1 7  7  3  o 362.53  1.9459  715.244      11.2267  716.168      10.4864  354.045     30.6586     32.066      30.6586     
1 1 1 7  7  4  o 145.976 2.07827 103.633      4.63615  129.158      4.66836  141.45      1.75985     43.5182     1.75985     
1 1 1 7  7  5  o 355.608 2.00766 687.76       10.9947  689.541      10.993   308.932     357.597     45.5442     177.597     
1 1 1 7  7  6  f 670.095 2.08889 2420.39      21.5509  2470.43      21.5569  571.69      343.477     0           0           
1 1 1 7  7  7  o 521.156 2.0421  1496.95      16.4049  1461.37      16.3704  538.475     23.7007     99.6054     23.7007     
1 1 1 7  7  8  o 83.8306 2.13624 36.7873      2.75108  39.888       2.75182  23.0984     18.5967     34.5314     198.597     
1 1 1 7  7  9  o 466.764 1.90208 1215.95      13.6952  1157.32      13.6427  443.213     266.195     13.7938     266.195     
1 1 1 7  7  10 o 140.597 2.37845 115.203      4.91946  100.454      5.32054  60.861      131.338     119.049     311.338     
1 1 1 7  7  11 o 116.489 2.53381 75.6629      4.54381  72.3249      4.53416  70.6617     253.543     20.6113     73.5429     
1 1 1 7  7  12 o 194.658 2.40914 217.364      7.23127  195.709      7.19839  197.714     148.534     65.8581     148.534     
1 1 1 7  7  13 o 232.824 2.09108 305.795      7.80662  284.864      7.18953  278.801     273.058     164.417     273.058     
1 1 1 7  7  14 o 37.9972 3.85605 6.9189       2.37737  9.22647      1.84718  20.7478     149.919     49.2397     149.919     
1 1 1 7  7  15 o 194.647 2.14077 203.448      6.66472  209.328      6.14989  226.442     16.5379     138.791     16.5379     
1 1 1 7  7  16 o 378.658 1.96285 765.732      11.7819  796.418      11.0807  341.402     323.513     18.8702     143.513     
1 1 1 7  7  17 o 260.551 2.01747 358.974      8.07852  380.809      8.10595  265.322     266.527     56.3384     266.527     
1 1 1 7  7  18 o 20.3989 4.07765 2.78969      1.34617  1.84831      1.361    96.693      84.697      208.212     84.697      
1 1 1 7  7  19 o 195.314 1.98569 213.987      5.78374  201.772      6.1409   170.568     346.327     12.911      166.327     
1 1 1 7  7  20 o 76.9357 2.13248 32.8977      2.5212   31.7178      2.52118  44.5933     172.332     17.9178     352.332     
1 1 1 7  7  21 o 246.081 1.90894 338.109      7.24149  321.917      7.22309  201.707     39.8826     49.8026     219.883     
1 1 1 7  7  22 o 92.4197 2.16944 45.9489      2.96747  47.2731      3.19738  31.901      33.3035     96.7857     213.304     
1 1 1 7  7  23 o 54.6627 2.59884 14.6947      2.00112  18.138       2.35333  9.28371     165.377     59.2019     345.377     
1 1 1 7  7  24 o 46.1116 2.73435 10.99        1.85555  12.3973      1.99237  4.79582     244.755     33.7572     64.7547     
1 1 1 7  7  25 o 90.4562 2.25221 43.3297      3.12231  46.042       3.14054  66.2962     331.294     17.7362     151.294     
1 1 1 7  7  26 o 154.513 2.11422 126.375      5.02092  134.045      5.03712  131.231     119.179     15.0256     299.18      
1 1 1 7  7  27 o 147.855 1.96651 124.097      4.48576  114.381      4.46427  116.358     292.506     33.5036     112.506     
1 1 1 7  7  28 o 16.7291 4.46828 0.900157     1.53277  1.30868      1.61979  29.3188     315.292     67.5419     315.292     
1 1 1 7  7  29 o 157.986 2.15181 130.974      5.22105  141.419      5.24389  164.229     258.535     43.6888     258.535     
1 1 1 7  7  30 o 125.409 2.038   83.4735      3.9261   88.1119      3.94356  114.618     317.885     5.81345     317.885     
1 1 1 7  7  31 o 250.588 1.94564 348.249      7.50792  336.77       7.50611  259.74      72.2465     62.3893     72.2465     
1 1 1 7  7  32 o 43.6397 3.09327 11.5529      2.02783  9.54237      2.05329  6.70519     290.593     0.856692    290.593     
1 1 1 7  7  33 o 58.9251 2.97296 19.1905      2.69062  19.0086      2.66915  47.6555     306.858     1.1105      306.858     
1 1 1 7  7  34 o 78.827  2.5676  30.814       2.99822  37.4659      3.21309  40.6553     93.6963     57.979      273.696     
1 1 1 7  7  35 o 48.4374 3.1437  13.3237      2.24933  12.6512      2.38053  39.6474     131.067     10.7517     131.067     
1 1 1 7  7  36 o 41.6353 3.82731 7.34279      2.3163   12.4519      2.32474  17.484      40.9257     28.8369     220.926     
1 1 1 7  7  37 o 77.7341 2.51334 32.6855      3.00908  33.7475      2.99109  63.4246     166.538     8.54102     346.538     
1 1 1 7  7  38 o 68.9672 2.38451 24.3469      2.5221   28.0512      2.5169   81.9963     247.47      50.1543     247.47      
1 1 1 7  7  39 o 132.866 2.17215 94.0019      4.42715  99.8271      4.45912  138.221     135.844     38.5246     135.844     
1 1 1 7  7  40 o 83.7384 2.36977 35.6116      3.03911  41.8669      3.04486  77.2288     178.686     5.85744     178.686     
1 1 1 7  7  41 f 110.063 2.12    67.1866      3.59639  66.2372      3.58301  95.925      49.6507     0           0           
1 1 1 7  7  42 o 76.9657 2.48081 31.5329      2.93429  34.2028      2.92646  53.7147     305.965     29.0431     125.964     
1 1 1 7  7  43 o 32.4359 4.21192 4.82751      1.93687  7.72654      2.10126  28.0412     190.264     5.27357     190.264     
1 1 1 7  7  44 o 30.2943 4.21213 4.94289      1.83706  5.97787      1.95412  3.61786     21.0891     43.8189     201.089     
1 1 1 7  7  45 o 30.7755 4.24841 3.31887      1.87436  8.42051      2.01574  26.3527     18.1056     2.96774     18.1056     
1 1 1 7  7  46 o 21.8298 4.83918 2.77298      1.79672  2.99697      1.82343  8.35786     189.375     5.36112     189.375     
1 1 1 7  7  47 o 35.4369 3.79389 7.19368      1.92923  7.7078       2.08236  22.5067     37.7063     15.0619     217.706     
1 1 1 7  7  48 o 21.5963 4.86959 3.45424      1.77119  2.25997      1.95855  12.2796     79.5999     6.42283     259.6       
1 1 1 7  7  49 o 45.3076 3.45816 12.8087      2.37258  11.3284      2.36732  33.2967     64.1833     10.7746     244.183     
1 1 1 7  7  50 o 32.4219 4.67815 8.32129      2.50095  5.30299      2.03181  27.154      45.2874     1.78269     45.2874     
1 1 1 7  7  51 o 18.6861 4.97137 1.93093      1.98739  2.20089      1.90664  7.65418     155.8       11.7907     335.8       
1 1 1 7  7  52 o 15.2448 4.57644 -0.716136    1.92721  1.69307      1.97438  7.31622     34.3673     2.89408     214.367     
1 1 1 7  7  53 o 58.0062 3.19337 19.7176      3.03489  20.7281      2.57901  55.2082     39.3725     10.8753     39.3725     
1 1 1 7  7  54 o 16.5904 4.88289 0.493674     1.95333  2.16174      2.2156   6.48034     81.531      9.81254     261.531     
1 1 1 7  7  55 o 17.7648 4.85748 2.51316      1.90753  1.61075      1.90153  10.111      272.821     6.12919     92.8207     
1 1 1 7  7  56 o 16.6536 4.81355 2.62445      2.05556  0.470541     1.99478  10.7661     189.608     0.916683    9.6083      
1 1 1 7  7  57 o 16.6668 4.87261 1.48347      2.05993  1.98021      2.02284  9.79937     237.255     2.78311     237.255     
1 1 1 7  7  58 o 19.5547 5.21213 2.57582      2.23334  3.62168      2.10855  12.0218     213.186     4.92585     33.186      
1 1 1 7  7  59 o 15.1426 4.75773 1.10728      2.19612  0.778939     2.25296  4.39318     30.1407     2.94713     210.141     
1 1 1 7  7  60 o 18.7603 5.06449 4.02354      2.13599  1.62925      2.11944  9.97351     187.968     2.3979      7.96833     
1 1 1 7  7  61 o 17.1382 4.94774 3.66618      2.09671  0.850606     2.38324  9.97596     124.025     2.28443     124.025     
1 1 1 7  7  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  8  0  o 422.015 2.18277 969.925      14.1831  969.925      14.1831  371.858     270         52.9726     90          
1 1 1 7  8  1  o 540.742 2.04542 1587.66      17.0336  1597.1       17.03    453.472     205.059     107.22      25.0593     
1 1 1 7  8  2  o 221.526 2.02946 265.17       6.92655  269.336      6.91913  206.453     266.006     14.7627     266.007     
1 1 1 7  8  3  o 282.494 2.01682 441.123      8.78197  428.109      8.76355  237.239     138.868     45.0649     318.868     
1 1 1 7  8  4  o 283.924 2.01803 446.005      8.82718  432.062      8.81742  341.149     178.526     169.624     178.526     
1 1 1 7  8  5  o 213.362 2.0361  258.346      6.6948   237.701      6.67662  229.643     168.147     85.3734     168.147     
1 1 1 7  8  6  o 110.251 2.11383 68.8974      3.72161  63.6497      3.45067  62.6233     223.793     31.2752     43.7934     
1 1 1 7  8  7  o 229.6   1.90025 284.828      6.71951  289.343      6.71718  191.03      8.26656     31.3516     188.267     
1 1 1 7  8  8  o 89.5488 2.46188 40.1403      3.36389  47.5034      3.39711  11.7271     356.713     96.8607     176.713     
1 1 1 7  8  9  o 261.926 2.18555 373.519      8.80911  373.783      8.82112  206.406     325.181     63.3349     145.181     
1 1 1 7  8  10 o 218.67  2.37793 246.333      7.98576  274.966      8.01178  201.403     329.14      17.9182     329.14      
1 1 1 7  8  11 o 88.3103 2.52628 43.1122      3.59576  41.9969      3.25643  14.7044     84.573      153.269     84.573      
1 1 1 7  8  12 o 137.887 2.09495 107.859      4.4541   99.3431      4.43737  108.918     45.4301     28.1435     45.4301     
1 1 1 7  8  13 o 83.1249 2.37384 37.1041      3.13008  38.3077      2.92721  6.53473     140.536     126.803     140.536     
1 1 1 7  8  14 o 241.13  2.01845 314.9        7.49708  318.53       7.49227  237.257     266.09      41.8395     266.09      
1 1 1 7  8  15 o 131.231 2.03717 88.3525      3.98215  99.4366      4.25209  115.824     44.6254     27.9592     44.6254     
1 1 1 7  8  16 o 68.5032 2.30701 25.7557      2.42734  25.4983      2.42585  26.0455     24.8982     155.702     24.8982     
1 1 1 7  8  17 o 86.9033 2.40658 37.5491      3.40828  45.0621      2.93845  15.6499     52.8106     112.086     232.811     
1 1 1 7  8  18 o 187.764 2.25831 184.606      7.02536  199.796      5.93749  151.675     217.722     36.4513     37.7221     
1 1 1 7  8  19 o 165.803 2.05674 149.886      5.27904  149.718      5.22328  102.233     321.159     95.5633     141.159     
1 1 1 7  8  20 o 142.47  1.96224 114.133      4.31196  107.136      4.29513  122.761     50.4484     7.11806     230.449     
1 1 1 7  8  21 f 42.6735 2.66771 8.87893      1.72581  11.2093      1.72332  134.07      65.4827     0           0           
1 1 1 7  8  22 o 69.1245 2.29169 27.5338      2.49763  24.7219      2.36746  7.78586     180.734     99.0015     0.734048    
1 1 1 7  8  23 o 12.1951 3.54018 0.885431     1.16239  -0.969312    1.13694  44.7707     240.172     93.9216     240.172     
1 1 1 7  8  24 o 138.196 1.97948 102.032      4.21361  106.208      4.21     103.306     58.4941     39.8182     238.494     
1 1 1 7  8  25 o 92.5719 2.11682 47.0028      3.00487  46.5516      3.02211  76.4589     86.7876     0.369615    86.7877     
1 1 1 7  8  26 o 58.2399 2.81823 18.0858      2.31215  19.1341      2.7059   29.4996     146.534     2.618       146.534     
1 1 1 7  8  27 o 160.022 2.32705 135.08       5.21407  144.412      6.23782  150.016     248.067     11.6239     248.067     
1 1 1 7  8  28 o 152.183 2.05295 123.836      4.6357   128.802      4.98539  114.435     300.265     46.5011     120.265     
1 1 1 7  8  29 f 181.285 2.12003 173.277      5.8968   185.353      5.93591  138.104     316.108     0           0           
1 1 1 7  8  30 o 23.9157 4.55777 1.61129      1.84031  4.75349      1.8159   6.35764     248.931     20.7375     248.931     
1 1 1 7  8  31 o 25.4499 4.35824 3.4019       1.67636  4.00693      1.70715  11.3964     292.994     42.6278     292.994     
1 1 1 7  8  32 o 120.813 2.39876 75.9832      4.44693  83.6929      4.46229  134.662     296.371     56.1787     296.371     
1 1 1 7  8  33 f 200.877 2.26806 226.353      7.02452  214.643      7.00383  173.172     248.915     0           0           
1 1 1 7  8  34 o 202.272 2.03555 220.248      6.51345  226.758      6.15567  200.496     247.05      34.9512     247.05      
1 1 1 7  8  35 o 71.8641 2.78149 27.8999      3.07259  28.9216      3.059    49.3428     317.642     25.3136     137.642     
1 1 1 7  8  36 o 71.4583 2.7122  29.7053      2.84981  26.5622      3.0721   62.9112     300.19      3.82971     300.19      
1 1 1 7  8  37 o 108.387 2.11796 63.8616      3.52508  64.9227      3.53796  96.018      218.538     0.60528     38.5375     
1 1 1 7  8  38 o 55.2074 2.68441 16.5507      2.22221  17.1778      2.31439  29.4495     337.88      36.4022     157.88      
1 1 1 7  8  39 o 25.8706 4.40294 4.36485      1.69371  3.48206      1.78407  13.3835     250.655     3.2199      70.6548     
1 1 1 7  8  40 f 48.1731 3.07249 13.8177      2.15369  12.2124      2.33062  50.6923     288.161     0           0           
1 1 1 7  8  41 o 17.7562 4.54867 1.7736       1.54836  1.30121      1.67156  1.1516      218.278     26.0676     218.278     
1 1 1 7  8  42 o 46.4189 3.11719 12.0522      2.17181  12.2769      2.23109  47.5487     74.4523     17.1149     74.4523     
1 1 1 7  8  43 o 23.3855 4.66386 4.07065      1.79202  2.47919      1.77574  8.12051     239.177     19.5314     59.1768     
1 1 1 7  8  44 o 45.0619 2.97154 11.2585      2.03002  11.7237      2.04594  40.4741     334.823     3.99177     334.823     
1 1 1 7  8  45 o 101.418 2.19536 55.3229      3.41571  58.9738      3.43106  102.893     201.575     26.617      201.575     
1 1 1 7  8  46 o 52.7452 2.81124 16.1859      2.27969  15.3894      2.25279  43.2266     242.288     5.17108     62.2878     
1 1 1 7  8  47 o 82.0296 2.79414 38.7318      3.82507  37.7147      3.18728  86.3738     233.538     29.5692     233.538     
1 1 1 7  8  48 o 28.7939 4.40469 3.3237       1.9586   7.17494      1.90435  16.1787     96.2388     14.4566     276.239     
1 1 1 7  8  49 o 17.4545 4.52508 3.05045      1.7799   -1.01209     1.97003  5.6345      212.125     11.5038     32.1249     
1 1 1 7  8  50 o 26.6555 5.1705  3.23639      2.46326  6.28692      2.16056  13.5137     355.083     15.8963     175.083     
1 1 1 7  8  51 o 17.6591 4.76021 1.1123       1.81881  2.36764      1.83566  8.24701     107.795     8.362       287.795     
1 1 1 7  8  52 o 27.7111 5.30315 5.32068      2.40272  5.65468      2.24184  21.742      94.4672     1.3409      274.467     
1 1 1 7  8  53 o 25.6779 5.18565 4.6225       2.17483  4.89998      2.13269  16.559      89.3002     7.77123     269.3       
1 1 1 7  8  54 o 23.3466 4.91676 2.35796      2.06069  5.49199      2.01594  18.7935     283.646     2.08162     283.646     
1 1 1 7  8  55 o 23.1917 5.27021 3.73204      2.24191  4.59053      2.07694  17.5952     157.517     1.35483     337.517     
1 1 1 7  8  56 o 35.405  4.3414  7.03009      2.24269  10.4121      2.26543  33.0756     302.66      7.79852     302.66      
1 1 1 7  8  57 o 14.3314 4.46189 1.55457      1.96737  -0.612818    1.98044  4.49539     271.592     0.615924    271.592     
1 1 1 7  8  58 o 21.9767 5.005   5.71294      2.11142  2.00698      2.15102  15.9463     97.2709     0.49535     277.271     
1 1 1 7  8  59 o 14.7786 4.69932 1.44456      2.23369  -0.269196    2.32063  0.817721    249.255     0.839502    69.255      
1 1 1 7  8  60 o 15.3388 4.7433  0.21292      2.04982  2.47035      2.27063  4.85632     41.5348     8.76593     221.535     
1 1 1 7  8  61 o 15.5549 4.71751 0.283091     2.07608  2.85692      2.12887  7.24071     96.7761     7.04307     276.776     
1 1 1 7  9  0  o 249.648 2.19551 339.533      8.43728  339.533      8.43728  293.501     90          117.584     90          
1 1 1 7  9  1  o 368.677 2.18176 739.97       12.383   740.582      12.3898  300.551     96.5817     80.8072     276.582     
1 1 1 7  9  2  o 246.124 2.19392 332.276      8.32006  327.576      8.30977  237.654     193.231     34.4087     193.231     
1 1 1 7  9  3  o 48.275  3.21659 13.6897      2.37361  11.961       2.34486  26.7155     36.2317     75.6589     36.2317     
1 1 1 7  9  4  f 572.55  2.06018 1801.16      18.1664  1769.55      18.1604  496.075     76.8182     0           0           
1 1 1 7  9  5  o 185.91  2.06134 184.057      5.90105  192.457      5.89914  159.602     86.4414     0.254611    266.441     
1 1 1 7  9  6  o 307.951 2.10887 536.263      9.60359  497.1        10.3447  366.224     66.615      179.49      66.615      
1 1 1 7  9  7  o 274.654 2.18473 428.286      9.24772  393.8        9.22128  262.877     76.4624     31.1057     76.4623     
1 1 1 7  9  8  o 401.865 2.18306 873.75       13.5067  885.498      13.5117  349.299     309.442     43.0227     129.442     
1 1 1 7  9  9  o 342.123 2.17106 620.564      11.423   654.746      11.4472  401.478     165.705     183.55      165.705     
1 1 1 7  9  10 o 208.361 2.38109 229.508      7.59451  243.602      7.68238  215.587     336.192     73.4819     336.192     
1 1 1 7  9  11 o 235.414 2.16221 295.112      7.82956  308.733      7.84429  193.772     281.196     35.278      101.196     
1 1 1 7  9  12 o 129.804 2.10611 89.6914      4.20507  93.8978      4.21298  107.856     143.035     48.8014     143.035     
1 1 1 7  9  13 o 296.934 2.00612 485.53       9.17372  475.073      9.17128  234.697     15.2158     75.502      195.216     
1 1 1 7  9  14 o 305.49  2.00409 503.361      9.42433  513.449      9.43036  339.186     101.376     120.386     101.376     
1 1 1 7  9  15 o 21.2662 3.86159 3.69382      1.34892  1.40952      1.31894  9.57501     175.183     21.0364     175.183     
1 1 1 7  9  16 o 40.4113 2.86235 6.88295      1.69407  11.3934      1.73086  12.7861     50.9505     47.5779     50.9505     
1 1 1 7  9  17 o 337.22  2.01855 613.91       10.4726  625.369      10.4907  358.128     3.66066     94.9894     3.66066     
1 1 1 7  9  18 o 122.467 2.10529 83.4147      3.97028  80.0753      3.96904  121.341     182.267     36.6365     182.267     
1 1 1 7  9  19 o 73.4159 2.21493 27.6311      2.43449  31.2919      2.56101  49.4727     327.623     3.61786     327.623     
1 1 1 7  9  20 o 145.786 1.96001 110.994      4.38782  120.767      4.40734  135.909     312.235     12.5223     312.235     
1 1 1 7  9  21 o 158.78  2.01241 140.838      5.09299  134.034      4.74804  164.055     285.401     45.5039     285.401     
1 1 1 7  9  22 o 224.016 2.07991 266.033      7.65439  281.227      6.62538  198.93      336.143     10.6478     156.143     
1 1 1 7  9  23 o 146.403 2.05299 113.773      4.786    119.978      4.45339  94.1872     96.9715     74.158      276.971     
1 1 1 7  9  24 o 200.372 1.93594 220.245      5.97969  217.504      5.96694  158.498     152.636     46.9485     332.636     
1 1 1 7  9  25 o 70.4503 2.26307 28.9391      2.45265  25.376       2.43753  43.8836     54.5066     23.5672     234.507     
1 1 1 7  9  26 o 195.094 1.95011 209.121      5.85615  205.94       5.86073  200.724     148.034     48.2697     148.034     
1 1 1 7  9  27 o 117.064 2.2158  76.8079      3.99254  72.8439      3.98697  106.77      14.5835     6.76943     14.5834     
1 1 1 7  9  28 o 47.3707 3.04471 12.069       2.19802  12.6644      2.19422  10.7609     171.331     49.5988     351.331     
1 1 1 7  9  29 o 140.678 2.02544 106.679      4.37837  109.227      4.39672  146.6       3.87522     43.4098     3.87522     
1 1 1 7  9  30 o 125.757 2.34084 87.8196      4.3333   84.9435      4.71247  124.456     335.173     26.6897     335.173     
1 1 1 7  9  31 o 186.178 2.56766 178.987      6.60933  200.157      8.10315  159.868     210.114     16.9268     30.1144     
1 1 1 7  9  32 o 56.2847 3.05127 19.6382      2.61004  15.4007      2.60667  28.3444     194.031     38.0921     14.0311     
1 1 1 7  9  33 o 59.1447 2.58125 18.9196      2.33886  19.5146      2.3396   56.3144     205.158     19.2813     205.158     
1 1 1 7  9  34 o 161.504 2.44399 136.108      6.28436  149.642      5.83119  170.116     279.999     50.9103     279.999     
1 1 1 7  9  35 o 72.3428 2.74595 29.0459      3.04974  28.5771      3.04568  76.7361     169.956     33.5092     169.956     
1 1 1 7  9  36 o 59.8802 2.64785 18.4191      2.5166   21.172       2.31239  40.001      93.6241     21.9296     273.624     
1 1 1 7  9  37 f 82.3051 2.24723 36.2722      2.83877  38.1868      2.84554  61.4626     162.371     0           0           
1 1 1 7  9  38 o 85.0463 2.29214 36.5383      2.86596  43.2399      3.12703  81.6077     354.234     13.4732     354.234     
1 1 1 7  9  39 o 51.1836 2.82867 15.1254      2.09712  14.0745      2.30925  51.8144     149.846     16.6104     149.846     
1 1 1 7  9  40 o 49.2835 2.88324 12.9266      2.1638   14.254       2.16902  49.7413     178.034     16.0842     178.034     
1 1 1 7  9  41 o 24.631  4.40992 3.02823      1.69072  4.20379      1.68182  9.15652     114.098     19.4987     294.098     
1 1 1 7  9  42 o 41.0039 3.40018 11.734       2.10342  7.67881      2.03254  25.5123     73.5762     18.7596     253.576     
1 1 1 7  9  43 o 25.3038 4.758   3.99567      1.8456   3.78115      1.92874  18.2698     40.1297     0.907336    40.1298     
1 1 1 7  9  44 o 18.2469 4.91646 1.06908      1.94766  1.98482      1.91903  3.11546     26.4426     20.9637     206.443     
1 1 1 7  9  45 o 24.1789 4.70355 2.61551      1.83972  4.6018       1.86039  14.429      75.6679     9.72158     255.668     
1 1 1 7  9  46 o 65.1497 2.56921 21.8816      2.55193  26.0865      2.56751  59.5008     157.246     5.78423     157.246     
1 1 1 7  9  47 o 14.5764 4.25127 -0.754982    1.59859  1.46967      1.66353  2.34951     146.057     9.27557     326.058     
1 1 1 7  9  48 o 61.5752 3.00968 22.1614      2.96377  21.4985      2.70509  55.9972     125.443     6.04271     125.443     
1 1 1 7  9  49 o 20.0303 5.11196 2.42327      2.00299  2.47812      2.03602  3.10673     311.485     1.31763     311.485     
1 1 1 7  9  50 o 13.9545 4.43065 -0.250299    1.8548   -0.22332     2.10277  3.36172     112.537     5.66391     292.537     
1 1 1 7  9  51 o 13.4665 4.38651 -0.669406    2.27403  -0.740491    1.91936  2.53961     145.417     0.662164    325.417     
1 1 1 7  9  52 o 18.4996 5.13321 1.27143      2.38711  2.64364      2.01601  11.3863     175.926     2.70852     355.926     
1 1 1 7  9  53 o 23.4939 5.11189 5.33971      2.21155  2.79021      1.95839  19.1935     223.064     4.1199      223.064     
1 1 1 7  9  54 o 15.0548 4.52775 -0.213569    1.86831  1.75129      1.91555  8.36578     48.0321     0.4057      48.0321     
1 1 1 7  9  55 o 24.0609 5.12629 5.02679      2.06476  3.90158      2.08425  18.6257     49.7614     0.543631    229.761     
1 1 1 7  9  56 o 15.5048 4.6655  1.39         1.94874  1.03643      1.95831  8.09124     199.387     3.43704     19.3868     
1 1 1 7  9  57 o 16.2898 4.92162 1.34295      2.06931  1.88156      2.30061  5.9753      53.8691     2.35364     53.8691     
1 1 1 7  9  58 o 23.9772 5.03122 6.5558       2.1708   2.84377      2.13707  18.231      205.619     1.94345     205.619     
1 1 1 7  9  59 o 16.3324 4.90526 2.68997      2.28677  0.777662     2.06365  4.70948     353.081     1.34078     173.081     
1 1 1 7  9  60 o 15.669  4.7791  2.73292      2.0876   0.234504     2.36351  6.94722     38.0171     0.18222     38.0171     
1 1 1 7  9  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  10 0  o 123.82  2.5608  83.7077      4.87318  83.7077      4.87318  90.4001     89.9999     10.7637     89.9999     
1 1 1 7  10 1  o 621.843 2.15979 2136.54      19.8632  2075.98      21.4436  603.458     80.3925     51.5389     80.3925     
1 1 1 7  10 2  o 444.234 2.02834 1082.9       13.8698  1066.75      13.8801  474.003     76.3671     130.894     76.3671     
1 1 1 7  10 3  o 374.193 2.01901 771.659      11.6367  753.612      11.6299  350.458     131.125     15.339      131.125     
1 1 1 7  10 4  o 60.742  2.79489 17.9881      2.60324  22.5151      2.5658   52.8933     333.591     170.066     333.591     
1 1 1 7  10 5  o 218.177 2.20069 262.311      7.40135  256.272      7.38532  258.612     120.228     160.251     120.228     
1 1 1 7  10 6  o 72.481  2.59101 30.6575      2.89186  26.7975      2.86477  0.333742    168.015     20.126      348.015     
1 1 1 7  10 7  f 361.602 2.17301 699.571      12.0952  725.045      12.1018  211.897     259.75      0           0           
1 1 1 7  10 8  o 117.742 2.23465 89.3325      4.22124  62.9258      3.84137  38.4092     181.794     115.115     1.79442     
1 1 1 7  10 9  o 360.25  2.16188 710.605      12.0031  703.365      11.9827  301.164     262.666     60.3265     82.6663     
1 1 1 7  10 10 o 361.321 2.15903 723.133      12.033   699.397      11.9906  397.577     199.134     133.492     199.134     
1 1 1 7  10 11 o 213.464 2.00812 249.943      6.60553  246.516      6.59614  197.444     244.458     13.4425     244.458     
1 1 1 7  10 12 o 241.356 2.0071  324.145      7.4803   310.618      7.43727  218.926     255.603     0.153658    255.605     
1 1 1 7  10 13 o 300.62  1.99235 492.542      9.22231  492.155      9.22371  347.926     70.8412     147.228     70.8412     
1 1 1 7  10 14 o 119.116 2.0334  74.272       3.60489  80.4021      3.85599  107.713     288.186     19.5549     288.186     
1 1 1 7  10 15 o 131.732 2.0134  89.8992      4.18416  99.3286      3.96265  93.5922     352.216     43.0224     172.216     
1 1 1 7  10 16 o 102.04  2.12754 54.9898      3.32683  58.6259      3.34997  77.1092     104.461     14.5653     284.461     
1 1 1 7  10 17 o 111.716 2.10098 72.4426      3.61432  63.7876      3.60025  55.2399     322.437     85.1087     142.437     
1 1 1 7  10 18 o 73.4644 2.29192 24.9742      2.5555   34.3607      2.56868  20.8205     66.0679     79.4283     246.068     
1 1 1 7  10 19 o 337.687 1.89215 617.049      9.83529  625.854      9.84275  348.321     264.008     76.2347     264.008     
1 1 1 7  10 20 o 52.3435 2.47848 15.4133      2.02512  14.6127      1.94757  4.10923     128.976     64.1908     308.976     
1 1 1 7  10 21 f 143.635 1.974   117.732      4.36483  107.311      4.36058  93.1789     10.7168     0           0           
1 1 1 7  10 22 o 132.393 1.9936  93.779       4.05935  97.3503      4.06851  99.7161     2.24009     34.1687     182.24      
1 1 1 7  10 23 f 84.2966 2.13957 36.3484      2.75588  41.3315      2.78266  29.0884     57.8818     0           0           
1 1 1 7  10 24 o 78.6908 2.21217 30.4643      2.65591  37.3671      2.67506  53.8076     60.5376     21.7607     240.538     
1 1 1 7  10 25 o 31.8132 3.7147  5.23398      1.75427  6.15226      1.75102  12.5587     46.7189     59.4759     46.7189     
1 1 1 7  10 26 o 71.2909 2.52092 28.5264      2.9743   27.1059      2.53501  67.5503     247.974     31.1887     247.974     
1 1 1 7  10 27 o 95.5094 2.22411 49.1483      3.3771   50.5008      3.14844  78.8931     139.709     7.12244     319.709     
1 1 1 7  10 28 o 21.0932 4.68233 1.48569      1.74121  3.23615      1.75268  20.0005     144.822     53.7821     144.822     
1 1 1 7  10 29 o 25.2086 4.62609 2.72347      1.81215  4.53864      1.86539  30.0421     72.7228     90.5477     72.7228     
1 1 1 7  10 30 o 113.761 2.25062 71.5387      3.95036  69.9016      3.92696  123.243     144.92      47.5839     144.92      
1 1 1 7  10 31 o 50.7618 3.41688 13.6803      2.46573  14.8585      2.81089  21.4722     333.91      40.9453     153.91      
1 1 1 7  10 32 o 22.286  4.91748 1.80449      1.98104  3.52978      1.87171  13.8288     233.469     52.2776     233.469     
1 1 1 7  10 33 o 77.3865 2.50603 34.5066      2.99177  31.2553      2.96087  69.6879     2.04683     7.221       2.04683     
1 1 1 7  10 34 o 16.7932 4.69202 0.459339     1.81958  1.2735       1.7969   5.84415     97.3541     16.9558     97.3541     
1 1 1 7  10 35 o 24.5077 4.68578 3.78582      1.64536  3.10327      2.00997  6.00761     78.614      43.054      78.614      
1 1 1 7  10 36 o 61.9753 2.75049 21.8811      2.36223  20.589       2.82155  59.6055     184.613     14.9535     184.613     
1 1 1 7  10 37 o 40.9209 3.1292  11.6098      1.89461  7.38457      1.89247  29.7911     121.526     6.76144     301.526     
1 1 1 7  10 38 o 32.816  3.66024 7.76702      1.76622  4.73203      1.74083  12.196      315.256     30.0266     135.256     
1 1 1 7  10 39 o 51.7513 2.71295 16.7886      2.15453  13.1581      2.11651  46.5456     167.947     4.43307     167.947     
1 1 1 7  10 40 o 16.5615 4.36704 1.88515      1.54219  0.423694     1.54629  1.15337     191.598     22.5079     191.598     
1 1 1 7  10 41 o 35.1639 3.79262 8.43635      2.10546  6.0057       1.86249  21.6814     199.537     14.996      19.5365     
1 1 1 7  10 42 o 19.6416 4.36879 0.312073     1.72261  3.59623      1.62413  6.81331     341.572     12.2295     161.572     
1 1 1 7  10 43 o 36.3227 3.86483 8.24492      2.03454  7.20856      2.13652  36.3081     152.02      13.3945     152.02      
1 1 1 7  10 44 o 18.1322 4.66164 1.81588      1.62461  1.627        1.74771  9.02268     37.7772     7.67888     217.777     
1 1 1 7  10 45 o 21.7711 4.68151 2.55844      1.71814  3.26044      1.71635  13.3893     253.888     5.20634     73.8882     
1 1 1 7  10 46 o 34.6026 3.88115 5.22134      1.921    9.39602      1.97004  27.8155     252.981     1.24892     72.9807     
1 1 1 7  10 47 o 16.2403 4.4485  -0.317334    1.67067  2.23178      1.73658  1.27773     276.603     0.471994    96.6028     
1 1 1 7  10 48 o 49.7298 3.95214 15.8575      3.02737  14.0915      2.91726  43.1793     172.666     2.03363     172.666     
1 1 1 7  10 49 o 32.3612 5.06473 5.63459      2.31554  8.48121      2.62475  27.44       72.9627     2.82091     72.9627     
1 1 1 7  10 50 o 16.7235 4.90363 0.788229     2.18893  1.5368       1.98763  8.7862      155.316     1.84688     335.316     
1 1 1 7  10 51 o 18.6449 5.49157 1.66528      2.60767  2.05616      2.62149  9.8263      332.631     4.61586     332.631     
1 1 1 7  10 52 o 15.3987 4.63224 1.23231      2.01683  0.485184     1.83173  6.45287     18.4745     3.65106     198.474     
1 1 1 7  10 53 o 20.8272 5.07513 3.11163      1.93188  3.21263      2.01407  17.0568     134.769     7.1862      134.769     
1 1 1 7  10 54 o 20.7676 5.25602 2.2698       1.99448  4.38952      2.32789  14.9302     121.754     1.7385      301.754     
1 1 1 7  10 55 o 36.352  4.55334 7.78954      2.50682  10.93        2.32317  35.5808     181.034     11.7204     181.034     
1 1 1 7  10 56 o 13.7753 4.3597  -0.925671    1.99521  1.2137       1.9309   3.71734     312.878     0.0785775   312.879     
1 1 1 7  10 57 o 23.8626 5.32177 5.63965      2.21751  3.96159      2.23828  20.7434     248.225     8.41314     248.225     
1 1 1 7  10 58 o 14.3781 4.55374 0.91578      2.08023  0.323768     2.08575  2.15555     322.345     7.81677     142.345     
1 1 1 7  10 59 o 12.7954 4.25049 0.112739     2.22731  -0.799239    2.02777  2.0978      302.868     5.53561     122.868     
1 1 1 7  10 60 o 16.31   4.99718 1.10885      2.29162  2.99966      2.4002   8.42287     65.6025     5.59721     245.602     
1 1 1 7  11 0  o 19.2474 5.30793 2.76571      1.50095  2.76571      1.50095  65.7823     270         137.46      270         
1 1 1 7  11 1  o 526.647 1.98042 1524.32      16.5898  1497.22      15.5226  464.353     95.2993     45.1498     275.299     
1 1 1 7  11 2  o 129.439 2.11699 102.471      4.21713  80.7649      4.17784  90.7776     31.6987     22.4743     211.699     
1 1 1 7  11 3  o 211.746 2.11162 242.331      7.14366  246.154      6.61208  191.511     7.17482     9.51906     7.17482     
1 1 1 7  11 4  o 116.409 2.31513 66.0701      4.11704  82.1381      4.14007  83.3447     187.06      1.92303     187.06      
1 1 1 7  11 5  o 110.276 2.32003 61.4923      3.92363  71.3145      3.9311   69.8544     283.419     23.29       283.419     
1 1 1 7  11 6  o 365.745 2.10417 715.41       12.2777  742.167      11.3878  371.661     182.049     73.4767     182.049     
1 1 1 7  11 7  o 208.355 2.12317 236.552      7.07847  236.45       6.53489  183.723     193.239     3.62738     13.2392     
1 1 1 7  11 8  o 95.6834 2.20246 46.8104      3.23177  53.1579      3.2404   44.5837     228.967     58.0464     48.9674     
1 1 1 7  11 9  o 198.839 2.18964 224.344      6.71351  206.672      6.68795  140.014     88.7644     77.8187     268.764     
1 1 1 7  11 10 o 108.073 2.27234 58.7235      3.74361  68.8794      3.79708  91.594      111.179     16.0232     111.179     
1 1 1 7  11 11 o 194.622 1.88067 204.496      5.63667  208.216      5.63559  143.347     198.317     64.2055     18.3166     
1 1 1 7  11 12 o 115.765 2.10925 73.517       3.75467  72.6333      3.75904  80.9244     31.8327     34.6461     211.833     
1 1 1 7  11 13 o 149.187 2.05505 115.076      4.71102  127.649      4.7222   158.019     232.042     59.1578     232.042     
1 1 1 7  11 14 o 180.215 1.94684 184.69       5.57049  169.416      5.2366   167.288     202.222     11.9977     202.222     
1 1 1 7  11 15 o 76.3497 2.39485 31.3044      3.00289  32.3868      2.59084  16.1678     337.878     93.7301     157.878     
1 1 1 7  11 16 f 79.789  2.23307 34.9804      2.73333  34.5386      2.74305  111.467     281.575     0           0           
1 1 1 7  11 17 o 125.016 2.08558 83.7681      4.01258  86.6271      4.0166   134.797     332.916     57.6942     332.916     
1 1 1 7  11 18 o 217.058 1.96848 264.005      6.37853  249.689      6.7605   261.309     260.159     133.092     260.159     
1 1 1 7  11 19 o 93.7995 2.13881 47.9935      3.19728  48.046       2.96884  61.005      231.977     35.6002     51.9771     
1 1 1 7  11 20 o 217.953 1.91654 259.729      6.43411  258.151      6.43055  260.001     106.849     129.56      106.849     
1 1 1 7  11 21 f 129.23  1.99942 92.1692      3.98613  89.9379      3.97125  115.316     264.754     0           0           
1 1 1 7  11 22 o 100.848 2.21752 57.0053      3.40359  54.0626      3.47145  72.2712     67.2905     28.7041     247.29      
1 1 1 7  11 23 o 137.885 2.05911 103.3        4.21471  104.058      4.525    85.4049     182.359     75.7843     2.35854     
1 1 1 7  11 24 o 109.201 2.03966 64.766       3.43176  65.3878      3.42181  71.6134     60.471      49.6612     240.471     
1 1 1 7  11 25 o 133.604 2.01712 99.5013      4.15565  95.2124      4.14295  95.5155     124.008     47.3966     304.008     
1 1 1 7  11 26 o 141.433 2.01528 106.238      4.37821  111.997      4.39821  124.433     80.7977     2.78834     260.798     
1 1 1 7  11 27 f 113.784 2.08816 67.9562      3.65062  73.4164      3.65961  111.12      34.7633     0           0           
1 1 1 7  11 28 o 158.893 2.07349 142.073      4.8985   133.521      5.22882  164.269     135.499     45.4298     135.499     
1 1 1 7  11 29 o 136.271 2.47316 106.716      5.0268   96.4218      5.31773  123.549     94.6049     4.52961     94.6049     
1 1 1 7  11 30 o 98.3145 2.79579 52.1315      4.21989  53.8555      4.22738  91.0874     313.112     9.8389      313.112     
1 1 1 7  11 31 o 87.2478 2.57776 39.7767      3.42615  43.7389      3.48153  91.5246     14.8887     33.7238     14.8887     
1 1 1 7  11 32 o 80.019  2.84507 38.0893      3.07445  32.4421      3.79598  84.2527     123.921     34.1122     123.921     
1 1 1 7  11 33 o 109.981 2.7315  65.6819      4.61154  67.2743      4.62583  91.924      139.09      10.0028     319.09      
1 1 1 7  11 34 o 69.7067 2.57548 28.265       2.78213  25.273       2.724    57.5553     109.034     3.87435     289.034     
1 1 1 7  11 35 o 78.1638 2.26811 33.6841      2.72867  33.4691      2.7197   49.2055     263.103     38.3876     83.1034     
1 1 1 7  11 36 o 80.0729 2.25233 34.8242      2.76284  35.7379      2.78032  60.4491     224.918     19.5712     44.9176     
1 1 1 7  11 37 o 84.3081 2.2551  37.4         2.90554  40.973       2.93586  86.6925     130.514     25.4432     130.514     
1 1 1 7  11 38 o 13.3376 4.1131  -0.100136    1.61019  -0.30259     1.57089  6.18433     5.7575      25.5962     5.7575      
1 1 1 7  11 39 o 53.3922 3.04635 14.4532      2.56114  17.6317      2.35481  37.4822     266.334     17.217      86.3343     
1 1 1 7  11 40 o 12.887  4.01908 -0.388816    1.51136  -0.244112    1.60181  0.839535    5.55491     5.97927     5.55491     
1 1 1 7  11 41 o 27.043  4.33277 4.99736      1.78205  3.78225      1.75286  14.3798     309.403     13.5765     129.403     
1 1 1 7  11 42 o 22.2482 4.5246  2.17631      1.66929  3.74298      1.66959  8.5285      315.783     17.1038     135.783     
1 1 1 7  11 43 o 23.9665 4.79356 3.45302      1.83117  3.60665      1.86483  18.7425     54.3252     1.10804     54.3252     
1 1 1 7  11 44 f 17.9217 4.53156 -0.369262    1.8427   3.00595      1.74733  6.8737      188.068     0           0           
1 1 1 7  11 45 o 34.4661 3.82303 6.38669      1.97083  7.83395      1.93192  25.855      206.479     5.07949     26.4788     
1 1 1 7  11 46 o 70.9068 2.5804  28.1451      2.87413  28.7932      2.73788  73.5261     307.91      25.1544     307.91      
1 1 1 7  11 47 o 37.9066 4.57336 7.1399       2.62332  10.9856      2.40356  37.224      16.5702     13.2475     16.5702     
1 1 1 7  11 48 o 29.1043 4.94592 4.83858      2.17647  6.41085      2.22278  26.2587     179.41      8.13638     179.41      
1 1 1 7  11 49 o 33.2466 4.28572 8.41276      2.16034  5.82894      2.05073  28.1581     213.167     1.97017     213.167     
1 1 1 7  11 50 o 33.1751 5.41736 7.12396      2.72448  8.54536      2.71049  29.5325     254.186     4.8312      254.186     
1 1 1 7  11 51 o 16.9708 4.85211 1.78723      1.80883  1.17472      2.16845  9.07093     287.785     3.03681     107.785     
1 1 1 7  11 52 o 16.9804 5.00334 1.82872      2.041    1.05213      2.35279  6.30177     220.03      11.5461     40.0298     
1 1 1 7  11 53 o 14.9791 4.65158 1.41342      2.04381  -0.549282    2.21804  5.84347     313.012     2.20601     313.012     
1 1 1 7  11 54 o 14.7859 4.55652 1.60021      1.96881  -0.497284    2.06959  7.8168      271.236     0.82421     91.2364     
1 1 1 7  11 55 o 21.0795 5.28356 2.83985      2.27928  4.3154       2.12941  11.0968     132.103     10.1577     312.103     
1 1 1 7  11 56 o 16.1027 4.76116 2.41488      2.02282  0.583468     2.03794  9.09822     96.1716     1.7639      276.172     
1 1 1 7  11 57 o 18.0556 4.92439 0.763535     2.03347  3.92496      2.12096  4.26777     81.0299     1.0907      81.0299     
1 1 1 7  11 58 o 16.0199 4.84092 1.60194      2.12111  1.70009      2.11221  3.72564     236.548     12.7149     56.5478     
1 1 1 7  11 59 o 14.5333 4.63796 1.77239      2.3044   0.254043     2.11329  6.05953     329.364     3.18993     149.364     
1 1 1 7  11 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  12 0  o 268.149 2.16625 391.767      8.94223  391.767      8.94223  234.387     90          28.3594     270         
1 1 1 7  12 1  o 228.823 2.18048 291.768      7.67059  278.865      7.69234  247.37      354.754     86.8944     354.754     
1 1 1 7  12 2  o 158.338 2.04755 144.949      5.00172  128.472      4.97125  162.932     292.006     57.5058     292.006     
1 1 1 7  12 3  o 163.597 2.05316 150.261      5.17831  141.428      5.16327  150.493     337.595     16.6783     337.595     
1 1 1 7  12 4  o 204.012 1.96674 224.015      6.37546  229.491      5.96958  243.531     221.826     130.255     221.826     
1 1 1 7  12 5  o 160.491 1.91992 142.896      4.7479   137.77       4.74079  103.768     233.493     77.0303     53.4932     
1 1 1 7  12 6  o 66.5609 2.18956 24.7566      2.2333   23.6359      2.2417   12.6015     119.965     63.4786     299.965     
1 1 1 7  12 7  o 69.4955 2.19868 30.4783      2.33941  22.5605      2.31694  26.9237     264.944     27.1219     84.9439     
1 1 1 7  12 8  o 190.529 1.9559  186.031      5.5498   209.898      5.92809  154.625     157.831     32.2655     337.831     
1 1 1 7  12 9  o 243.393 1.99368 327.852      7.47674  317.763      7.46663  202.657     33.2486     36.6784     213.249     
1 1 1 7  12 10 o 286.137 1.85072 446.933      8.15758  445.232      8.15164  335.038     240.405     151.214     240.405     
1 1 1 7  12 11 o 106.319 2.03933 63.5788      3.45577  59.741       3.21632  106.885     132.709     61.5653     132.709     
1 1 1 7  12 12 o 250.607 2.03085 333.509      8.08507  351.141      7.56321  260.388     164.584     66.4171     164.584     
1 1 1 7  12 13 o 37.7346 2.85045 8.29747      1.59147  7.42759      1.65974  1.03879     4.31279     7.05638     4.31279     
1 1 1 7  12 14 o 126.564 2.03367 91.0792      3.9653   83.6138      3.95665  100.154     321.113     21.0744     141.113     
1 1 1 7  12 15 o 216.736 1.97014 257.16       6.57666  254.893      6.57396  144.902     215.078     103.65      35.0784     
1 1 1 7  12 16 o 119.726 2.09231 84.8323      3.85965  71.7796      3.83341  123.124     290.532     44.8251     290.532     
1 1 1 7  12 17 o 121.461 2.07251 78.8005      3.87234  82.072       3.87925  66.3313     164.214     80.8052     344.214     
1 1 1 7  12 18 o 38.4657 2.85916 7.51058      1.64094  8.84893      1.68945  7.28795     325.339     44.0008     325.339     
1 1 1 7  12 19 o 257.781 1.8871  363.967      7.49348  360.506      7.48825  240.235     280.449     13.5559     280.449     
1 1 1 7  12 20 f 200.693 1.9275  226.504      5.97237  212.768      5.93795  236.909     246.951     0           0           
1 1 1 7  12 21 f 259.475 1.9057  368.477      7.61613  365.642      7.61277  260.989     295.795     0           0           
1 1 1 7  12 22 o 101.305 2.07798 60.8379      3.23988  51.3929      3.22057  102.356     2.48539     33.1798     2.48539     
1 1 1 7  12 23 o 220.578 1.93722 269.797      6.58774  260.844      6.57123  236.216     6.16373     75.1481     6.16373     
1 1 1 7  12 24 o 129.377 2.03891 92.4137      4.07031  90.1754      4.05353  126.404     298.504     25.5217     298.504     
1 1 1 7  12 25 o 121.805 2.06117 78.3152      3.86064  83.5933      3.86867  130.003     220.728     48.9334     220.728     
1 1 1 7  12 26 o 56.0841 2.58305 18.0464      2.22708  16.4804      2.20745  32.3626     184.903     20.1048     4.90258     
1 1 1 7  12 27 o 71.1088 2.38912 27.2303      2.59491  28.1263      2.62214  65.5465     200.01      17.2234     200.01      
1 1 1 7  12 28 o 39.952  3.68893 9.31784      2.09347  8.50839      2.31318  16.3487     193.38      22.5402     13.3796     
1 1 1 7  12 29 o 66.0481 2.72072 24.1874      2.47012  23.7255      3.00646  71.5368     28.3424     41.3835     28.3424     
1 1 1 7  12 30 o 114.678 2.22504 70.3753      3.91763  73.5365      3.93228  120.536     51.8737     40.2407     51.8737     
1 1 1 7  12 31 o 85.2674 2.78184 45.6768      3.79962  34.6322      3.47086  105.457     73.3379     74.3124     73.3379     
1 1 1 7  12 32 o 18.589  4.86168 0.857415     1.8121   2.13091      1.92816  12.182      226.775     38.8317     226.775     
1 1 1 7  12 33 o 57.988  3.08816 22.0797      2.73296  15.481       2.6792   28.9377     328.763     40.5523     148.763     
1 1 1 7  12 34 o 16.761  4.65667 0.444838     1.88258  1.3564       1.68343  3.37003     358.388     13.8665     358.388     
1 1 1 7  12 35 o 67.8887 2.8025  25.3294      3.27797  25.7383      2.48969  61.7788     353.148     6.69751     353.148     
1 1 1 7  12 36 o 36.6235 3.77111 6.28427      2.14121  9.16317      1.85013  25.634      222.752     8.51934     42.7522     
1 1 1 7  12 37 o 75.4025 2.31821 30.8805      2.67734  31.9526      2.69285  74.7256     196.573     18.118      196.573     
1 1 1 7  12 38 o 110.723 2.11866 67.2376      3.6104   67.9792      3.60757  99.5734     203.373     4.09274     203.373     
1 1 1 7  12 39 o 13.1908 4.00411 -1.03725     1.46332  0.712159     1.55816  3.65598     113.868     19.0934     113.868     
1 1 1 7  12 40 o 18.4957 4.59148 1.78563      1.60439  1.87535      1.63292  5.63884     324.099     9.54033     144.099     
1 1 1 7  12 41 o 31.2073 4.08151 7.05121      1.87161  4.58969      1.87963  14.7046     355.979     22.2445     175.979     
1 1 1 7  12 42 o 49.8029 2.97644 12.0382      2.16168  16.274       2.3424   33.0656     61.4249     19.8435     241.425     
1 1 1 7  12 43 o 18.8077 4.85892 1.45737      1.87654  2.29045      1.82184  9.74839     175.464     1.68995     175.464     
1 1 1 7  12 44 o 20.3862 4.98503 2.38427      1.81591  2.5579       1.99256  9.83179     145.972     8.71127     325.972     
1 1 1 7  12 45 o 22.6088 4.61575 4.73773      1.79385  1.42825      1.93558  15.6168     119.889     4.29763     119.889     
1 1 1 7  12 46 o 21.2454 4.98531 2.46094      1.91137  3.18625      1.91356  12.7706     294.48      2.00815     294.48      
1 1 1 7  12 47 o 16.8761 4.72442 2.41609      1.9446   -0.258721    1.93935  3.65672     352.274     15.6174     172.274     
1 1 1 7  12 48 o 13.8655 4.32076 0.434445     1.73458  -0.449832    1.89442  3.26307     339.588     7.55428     159.588     
1 1 1 7  12 49 o 63.8333 3.63483 25.5002      3.21028  24.4771      3.81263  69.7354     102.88      31.0105     102.88      
1 1 1 7  12 50 o 29.9569 4.6935  7.1843       2.16686  5.0748       2.06825  31.0192     346.295     16.0476     346.295     
1 1 1 7  12 51 o 22.4243 5.52332 3.9167       2.61035  3.69844      2.09651  14.0554     99.8446     5.43622     279.845     
1 1 1 7  12 52 o 15.7994 4.78812 1.1317       1.85977  0.982751     2.321    8.93628     108.818     2.46046     288.818     
1 1 1 7  12 53 o 23.4674 5.49272 4.48345      2.33645  4.43946      2.28471  19.0945     20.2589     2.49673     20.259      
1 1 1 7  12 54 o 15.4671 4.76221 1.34369      2.15997  0.747443     2.09418  7.95851     0.312559    2.83768     180.313     
1 1 1 7  12 55 o 25.8    5.13953 6.77164      2.15843  4.00739      2.31562  21.1976     103.894     2.62972     103.894     
1 1 1 7  12 56 o 21.1573 5.21491 4.78372      2.12657  2.66336      2.23206  12.5356     64.1336     4.99007     244.134     
1 1 1 7  12 57 o 12.5344 4.17884 -0.2253      1.98442  -1.41523     2.25631  0.43548     253.688     3.84536     73.6882     
1 1 1 7  12 58 o 20.2305 5.43354 4.11635      2.22659  3.86795      2.47488  13.893      330.592     2.45566     330.592     
1 1 1 7  12 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  13 0  o 46.6632 2.82862 12.1236      1.9968   12.1236      1.9968   20.7925     90          105.003     90          
1 1 1 7  13 1  o 232.288 2.16211 287.728      7.72834  300.439      7.73675  252.905     22.9201     89.4771     22.9201     
1 1 1 7  13 2  o 144.401 2.13506 113.149      4.91335  114.116      4.57417  126.999     38.7657     3.71476     38.7659     
1 1 1 7  13 3  o 100.206 2.13284 51.4807      3.27867  58.1622      3.28725  89.2426     143.488     29.6664     143.488     
1 1 1 7  13 4  o 225.706 2.00663 269.468      6.96609  285.84       6.97828  238.879     357.335     73.0547     357.335     
1 1 1 7  13 5  o 237.267 1.95011 316.354      7.3558   297.297      6.89592  234.843     310.357     41.9378     310.357     
1 1 1 7  13 6  o 182.915 1.96594 182.533      5.70051  182.104      5.36983  186.772     259.37      49.4753     259.37      
1 1 1 7  13 7  o 162.062 2.0499  144.509      5.44309  141.766      4.77228  111.106     275.239     66.6868     95.2389     
1 1 1 7  13 8  o 363.024 2.08783 732.324      12.1017  704.325      11.2384  426.312     178.369     191.371     178.369     
1 1 1 7  13 9  o 261.212 2.05012 373.819      8.53524  369.93       7.94991  263.901     103.533     54.5245     103.533     
1 1 1 7  13 10 o 68.7423 2.44527 25.6197      2.82704  26.0461      2.30048  36.7966     53.6187     27.8481     233.619     
1 1 1 7  13 11 o 53.4324 2.51954 15.0188      2.1004   16.2727      2.01475  15.0091     133.122     12.9627     313.122     
1 1 1 7  13 12 o 128.389 2.15558 92.3541      4.26423  87.4024      4.25693  105.193     49.4631     13.0673     229.463     
1 1 1 7  13 13 o 293.024 2.40651 476.461      10.8684  460.154      10.8471  259.083     260.545     14.1444     80.5451     
1 1 1 7  13 14 o 144.79  1.97524 109.909      4.3942   118.726      4.40947  108.277     110.979     39.0843     290.979     
1 1 1 7  13 15 o 164.458 1.96773 155.304      4.9927   139.773      4.9648   165.699     219.808     41.8382     219.808     
1 1 1 7  13 16 o 171.946 2.05223 152.114      5.19735  170.536      5.6738   189.952     119.765     78.1837     119.765     
1 1 1 7  13 17 o 203.743 1.92496 227.357      5.85673  225.241      6.21493  194.81      165.601     24.8868     165.6       
1 1 1 7  13 18 o 168.431 1.90642 157.491      4.94718  151.849      4.9409   165.269     355.915     31.8629     355.915     
1 1 1 7  13 19 o 107.392 2.06397 64.6178      3.31834  61.2804      3.49299  117.882     127.29      58.2414     127.29      
1 1 1 7  13 20 o 21.3067 4.25284 2.35763      1.50984  2.73946      1.41107  14.682      56.8677     39.1043     56.8677     
1 1 1 7  13 21 o 156.139 1.95872 129.743      4.70724  136.175      4.7097   115.607     53.8173     47.6495     233.817     
1 1 1 7  13 22 o 72.3985 2.28894 31.2466      2.54     26.1784      2.53568  68.1539     243.677     30.0277     243.677     
1 1 1 7  13 23 o 125.4   2.03732 89.43        3.93648  82.193       3.92689  114.409     194.515     9.3796      194.515     
1 1 1 7  13 24 o 187.638 1.95958 191.399      5.66649  192.694      5.65755  164.1       35.3116     6.94256     215.311     
1 1 1 7  13 25 o 107.409 2.29299 56.0465      3.43825  70.4478      4.14896  91.311      251.857     3.98747     71.8566     
1 1 1 7  13 26 o 148.338 2.46649 125.099      5.35501  115.524      5.86836  108.941     173.963     46.1746     353.963     
1 1 1 7  13 27 o 102.732 2.29261 58.0242      3.63455  57.4141      3.61001  79.7681     12.1234     20.7963     192.123     
1 1 1 7  13 28 o 94.6941 2.17859 48.2617      3.16378  49.8417      3.18096  94.9403     56.3213     26.5876     56.3213     
1 1 1 7  13 29 o 106.075 2.34133 58.1642      3.66443  65.1702      3.97717  89.0617     352.763     7.44966     172.763     
1 1 1 7  13 30 o 131.984 2.2826  92.4452      4.76458  98.3603      4.49341  118.675     28.5025     4.79817     28.5025     
1 1 1 7  13 31 o 126.306 2.1447  85.8119      4.31077  88.9135      4.01661  126.814     332.907     31.8439     332.907     
1 1 1 7  13 32 o 164.713 2.47533 144.187      6.57285  153.779      5.94187  152.478     324.936     12.9746     324.936     
1 1 1 7  13 33 o 13.3051 4.05435 -0.679762    1.54541  0.337412     1.51366  4.62187     246.347     13.2054     246.347     
1 1 1 7  13 34 o 36.6249 3.29909 7.67099      1.81934  7.46         1.81725  19.8747     145.167     19.2331     325.167     
1 1 1 7  13 35 f 24.3945 4.57938 2.20575      1.80973  4.78492      1.82394  28.0191     93.7314     0           0           
1 1 1 7  13 36 o 66.2848 2.55059 23.1082      2.68801  25.6666      2.47659  66.1674     277.756     18.1737     277.756     
1 1 1 7  13 37 o 26.0436 4.22676 5.23107      1.68781  2.86843      1.68175  15.737      107.6       6.13219     287.6       
1 1 1 7  13 38 o 19.7124 4.63942 2.21346      1.69429  2.16047      1.60155  6.3475      340.77      11.3782     160.77      
1 1 1 7  13 39 o 28.8657 4.44316 6.563        2.12283  3.60633      1.75223  15.1389     270.185     15.5288     90.1847     
1 1 1 7  13 40 o 74.0891 2.55708 28.8695      3.05133  32.5012      2.72601  60.7523     177.55      7.08819     357.55      
1 1 1 7  13 41 o 18.1383 4.67913 2.47643      1.80591  0.796856     1.68877  10.164      19.6581     0.520148    199.658     
1 1 1 7  13 42 o 21.9538 4.6418  1.7958       1.75643  4.02941      1.7755   12.4223     40.338      8.17451     220.338     
1 1 1 7  13 43 o 26.4821 4.67584 4.78458      1.96476  4.0357       1.84121  7.03331     73.1352     5.05814     73.1352     
1 1 1 7  13 44 o 27.4945 4.67754 3.10374      1.98341  6.57488      2.05786  18.8773     308.971     4.81178     128.971     
1 1 1 7  13 45 o 17.932  4.67416 -0.834592    1.8694   3.3832       2.02064  7.1479      156.87      5.74257     336.87      
1 1 1 7  13 46 o 19.082  5.29989 2.48448      2.03247  1.02784      2.70372  8.88078     205.02      6.99288     25.0203     
1 1 1 7  13 47 o 48.2566 3.42031 15.0295      2.49398  12.9596      2.50468  50.6445     166.922     20.8945     166.922     
1 1 1 7  13 48 o 19.7468 5.10138 4.33977      2.23481  -0.526208    2.5053   11.9172     36.8055     4.99053     216.805     
1 1 1 7  13 49 o 18.1024 5.0357  2.31558      2.081    1.53904      2.05466  6.70278     151.32      13.3558     331.32      
1 1 1 7  13 50 o 21.8476 5.18041 3.44578      2.14504  3.48424      1.96894  16.3512     127.869     7.43538     127.869     
1 1 1 7  13 51 o 18.9695 5.01388 3.36247      2.06611  1.58072      1.96726  9.79813     179.182     8.72278     359.182     
1 1 1 7  13 52 o 16.7496 4.80178 0.0684131    2.01603  2.89122      2.0706   11.3367     160.828     1.78298     160.828     
1 1 1 7  13 53 o 24.0679 5.31155 3.8937       2.10421  5.48238      2.29374  19.2487     122.781     2.10509     122.781     
1 1 1 7  13 54 o 34.9401 4.82481 7.78392      2.46445  10.4134      2.53538  32.8102     98.2046     9.52557     98.2046     
1 1 1 7  13 55 o 19.8203 5.43719 3.63295      2.27628  3.07891      2.5102   9.54827     188.116     9.42417     8.11602     
1 1 1 7  13 56 f 12.3264 4.08468 -0.327736    1.93562  -0.931302    1.97219  2.68906     95.7926     0           0           
1 1 1 7  13 57 o 12.1448 4.05552 -1.24559     2.0264   -0.130691    1.9744   1.0794      88.3671     3.41681     268.367     
1 1 1 7  13 58 o 18.5738 5.11859 4.09396      2.13963  2.15109      2.24358  10.3146     223.133     6.18497     43.1329     
1 1 1 7  14 0  o 136.994 1.96463 102.353      4.14067  102.353      4.14067  192.687     90          138.567     90          
1 1 1 7  14 1  o 455.481 1.96795 1126.36      13.3543  1134.9       14.2407  463.718     167.422     96.7803     167.422     
1 1 1 7  14 2  o 250.762 2.00896 336.94       7.75196  348.522      7.76155  268.72      221.192     85.773      221.192     
1 1 1 7  14 3  f 115.018 2.10769 70.5255      3.7225   73.8051      3.73613  73.6822     308.049     0           0           
1 1 1 7  14 4  f 208.584 2.01769 228.941      6.47086  245.451      6.48519  239.926     330.471     0           0           
1 1 1 7  14 5  o 130.051 2.06129 92.9997      4.1259   91.3778      4.12988  99.5246     147.272     27.744      327.272     
1 1 1 7  14 6  o 143.343 2.06271 109.031      4.54354  115.002      4.56059  120.97      321.735     9.40465     141.735     
1 1 1 7  14 7  o 155.578 2.11623 130.05       4.88746  133.851      5.25032  159.189     311.459     46.5047     311.459     
1 1 1 7  14 8  o 15.4377 3.79707 1.00044      1.11126  1.31304      1.10641  34.8947     332.289     75.3808     332.289     
1 1 1 7  14 9  o 132.348 2.13465 95.3206      4.53646  95.6642      4.15532  123.487     33.348      18.9415     33.348      
1 1 1 7  14 10 o 153.669 2.16458 136.302      5.62532  121.416      4.61451  78.9472     230.295     115.496     50.2947     
1 1 1 7  14 11 o 71.5326 3.01453 27.0404      3.11747  29.0527      3.49304  38.5413     33.3587     30.398      213.359     
1 1 1 7  14 12 o 275.75  2.40324 413.441      10.202   416.093      10.2074  277.776     202.215     58.9484     202.215     
1 1 1 7  14 13 o 224.429 2.42057 270.092      8.3497   279.491      8.37975  218.975     293.957     36.5086     293.957     
1 1 1 7  14 14 o 132.691 2.40578 101.736      5.00989  90.6012      4.81403  88.7586     198.284     54.9934     18.2843     
1 1 1 7  14 15 o 69.9209 2.73144 26.7737      2.92733  26.7665      2.93172  42.8373     16.5116     20.4491     196.512     
1 1 1 7  14 16 f 188.12  2.36542 187.494      6.56428  198.742      7.14053  191.902     250.232     0           0           
1 1 1 7  14 17 o 149.784 2.32319 125.669      5.35607  119.18       5.35799  113.353     205.622     38.9348     25.6218     
1 1 1 7  14 18 o 225.947 2.25551 279.145      7.8453   277.881      7.84996  220.089     180.996     34.7705     180.996     
1 1 1 7  14 19 o 147.78  1.91506 115.901      4.34693  122.3        4.36726  109.39      9.31739     43.5161     189.317     
1 1 1 7  14 20 o 322.194 2.00994 574.335      9.98106  558.005      9.96201  322.34      197.877     64.5751     197.877     
1 1 1 7  14 21 o 127.501 2.08395 81.4423      3.90397  96.2265      4.28062  109.221     337.146     4.64663     157.146     
1 1 1 7  14 22 o 147.53  2.241   121.351      4.80758  116.251      5.34677  146.903     327.054     34.9132     327.054     
1 1 1 7  14 23 o 204.556 1.93782 229.134      6.11126  227.382      6.09672  190.69      6.31216     16.6577     6.31217     
1 1 1 7  14 24 o 112.428 2.09109 69.6711      3.61653  68.404       3.61741  104.154     146.797     12.8325     146.797     
1 1 1 7  14 25 o 140.447 2.16435 112.929      4.69218  102.634      4.66291  125.669     207.317     3.03689     207.317     
1 1 1 7  14 26 o 10.4431 3.45742 -3.25183     1.4759   -0.538011    1.44248  35.0938     34.7113     77.1931     34.7113     
1 1 1 7  14 27 o 62.4516 2.50284 23.2123      2.39086  19.6869      2.39037  44.0628     157.708     15.2275     337.708     
1 1 1 7  14 28 o 26.5089 4.85094 3.52836      1.85985  4.61657      2.1394   0.383624    268.824     22.4203     268.824     
1 1 1 7  14 29 o 95.7263 2.99604 42.9149      4.74439  58.6414      3.76563  78.4879     13.4886     8.74513     193.489     
1 1 1 7  14 30 o 114.931 2.14562 72.239       3.69237  72.5266      3.89331  116.369     40.3867     32.4373     40.3867     
1 1 1 7  14 31 o 19.6283 4.56709 2.81893      1.66334  1.22958      1.63089  3.98823     331.836     23.67       331.836     
1 1 1 7  14 32 o 123.761 2.13853 82.7603      3.92218  85.3372      4.22713  114.076     354.738     10.7633     354.738     
1 1 1 7  14 33 o 46.44   2.9908  10.5091      2.16673  13.6792      2.00098  27.1894     355.181     23.8448     175.181     
1 1 1 7  14 34 o 13.9623 4.16164 0.312202     1.53107  0.0924428    1.5271   4.48135     13.2372     21.7734     13.2372     
1 1 1 7  14 35 o 28.7624 3.97031 3.74853      1.67357  6.00587      1.70913  12.2213     102.702     21.0171     282.702     
1 1 1 7  14 36 o 15.8577 4.44115 0.283229     1.51643  1.43266      1.7404   0.369029    69.5673     16.6873     69.5673     
1 1 1 7  14 37 o 76.6259 2.74892 30.9806      3.42613  34.681       2.98736  71.6979     144.109     10.9799     144.109     
1 1 1 7  14 38 o 15.504  4.37397 1.20632      1.63954  0.410416     1.52777  0.603099    315.406     1.56016     135.406     
1 1 1 7  14 39 o 96.8179 2.22316 51.4381      3.29818  52.6054      3.32191  85.0095     114.203     1.73035     114.203     
1 1 1 7  14 40 f 23.4455 4.446   4.63419      1.7297   2.05544      1.69268  19.8984     10.288      0           0           
1 1 1 7  14 41 o 64.5559 2.67802 23.9269      2.64513  23.1406      2.65504  56.2923     152.425     1.74238     152.425     
1 1 1 7  14 42 o 31.7657 4.35975 7.45242      2.13806  5.03952      1.97317  26.2187     0.701184    2.16955     0.701184    
1 1 1 7  14 43 o 70.9614 2.81269 30.2825      2.96471  27.1673      3.13615  55.0379     98.3464     11.3931     278.346     
1 1 1 7  14 44 o 70.4837 3.17515 28.2879      3.5735   29.3028      3.26633  73.2287     24.7451     26.8742     24.7451     
1 1 1 7  14 45 o 21.5535 5.44734 3.50353      2.29145  2.40915      2.32622  13.5        115.119     1.21415     295.119     
1 1 1 7  14 46 o 15.3123 4.45582 1.79516      1.78921  -0.482338    1.77272  4.82804     297.557     2.26139     117.557     
1 1 1 7  14 47 o 21.6988 5.04155 0.458699     2.26669  5.38614      2.25575  14.4559     28.5048     3.55489     208.505     
1 1 1 7  14 48 o 14.8187 4.5272  1.54208      1.98202  -1.102       1.98514  6.04617     2.03559     5.14885     182.036     
1 1 1 7  14 49 o 14.8229 4.49986 -0.0694761   1.85782  1.25913      1.88437  5.07957     65.4448     3.74093     245.445     
1 1 1 7  14 50 o 27.6334 5.02606 4.78608      2.09135  6.38392      2.23306  21.2929     329.055     1.12659     149.055     
1 1 1 7  14 51 o 19.2477 5.10821 3.12498      1.98345  2.22998      2.17874  15.0648     328.413     7.67075     328.413     
1 1 1 7  14 52 o 21.548  5.3361  2.69631      2.31357  4.73371      2.22031  16.2392     247.734     1.13811     247.734     
1 1 1 7  14 53 o 17.0654 5.01542 2.26432      2.07113  1.53992      2.32397  10.2236     168.897     2.40672     168.897     
1 1 1 7  14 54 o 13.1382 4.28091 0.0907344    1.92629  -0.437082    2.10091  3.54206     308.15      4.05325     128.15      
1 1 1 7  14 55 o 15.0432 4.72425 1.86497      2.20556  -0.47495     2.31953  1.14548     145.515     0.977081    325.515     
1 1 1 7  14 56 o 14.0956 4.58135 0.32224      2.44506  0.437988     2.11615  2.92436     262.219     3.76462     82.219      
1 1 1 7  14 57 f 15.2013 4.70523 2.04514      2.10529  0.93036      2.12782  12.3516     251.704     0           0           
1 1 1 7  14 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  15 0  o 27.4603 3.79313 4.55228      1.42882  4.55228      1.42882  1.07932     90.0006     3.01756     90.0006     
1 1 1 7  15 1  o 208.52  1.90689 235.969      6.11925  238.011      6.12664  234.058     36.6718     99.1436     36.6718     
1 1 1 7  15 2  o 120.374 1.98235 74.5708      3.66588  83.5234      3.67479  114.947     358.953     27.6305     358.953     
1 1 1 7  15 3  o 74.4283 2.18837 28.1752      2.43385  32.4122      2.56983  52.5255     116.587     4.26579     116.587     
1 1 1 7  15 4  o 178.958 1.96866 172.201      5.25904  176.963      5.58995  158.979     66.1631     1.42422     66.1634     
1 1 1 7  15 5  o 47.9086 2.4988  13.1704      1.83306  12.0203      1.82513  5.58198     9.96373     13.6112     189.964     
1 1 1 7  15 6  o 111.536 2.10619 68.2157      3.61153  67.5346      3.61677  104.387     114.703     24.58       114.703     
1 1 1 7  15 7  o 158.179 2.20466 141.064      5.37688  131.894      5.35933  154.928     345.964     34.287      345.964     
1 1 1 7  15 8  o 49.4081 2.6419  12.8272      1.87709  13.9798      2.11352  7.35926     149.202     35.8554     329.202     
1 1 1 7  15 9  o 186.271 2.16211 195.828      6.52517  182.705      5.87824  183.344     301.938     37.9136     301.938     
1 1 1 7  15 10 o 79.2306 2.89944 32.0198      3.32662  36.8028      3.72804  43.9527     341.649     39.1819     161.649     
1 1 1 7  15 11 o 58.1244 3.39248 16.1807      2.93179  21.1768      3.05799  21.5204     62.0019     1.80147     62.0019     
1 1 1 7  15 12 o 67.8699 2.87101 26.4712      2.9967   24.0465      2.97263  30.9269     151.013     44.8068     331.013     
1 1 1 7  15 13 o 115.794 2.71752 75.3195      5.12918  71.2781      4.54414  117.271     53.8964     38.6763     53.8964     
1 1 1 7  15 14 o 143.447 2.431   112.33       5.15539  112.245      5.57591  112.412     77.1972     27.8636     257.197     
1 1 1 7  15 15 o 15.3507 4.49955 0.82587      1.71634  -0.40269     1.83417  9.55871     333.177     21.8207     333.177     
1 1 1 7  15 16 o 78.4006 2.68372 34.3998      3.21961  32.8922      3.23939  36.0945     354.577     60.3119     174.577     
1 1 1 7  15 17 o 30.6329 4.58291 6.43459      2.12071  4.32101      2.07783  17.9159     296.539     71.7017     296.539     
1 1 1 7  15 18 o 131.895 2.39225 98.8607      4.85042  91.1786      4.8562   133.757     13.8688     38.7647     13.8688     
1 1 1 7  15 19 o 152.736 2.34437 136.427      5.45596  118.55       5.54468  160.959     215.233     54.8789     215.233     
1 1 1 7  15 20 o 218.315 2.23698 271.459      7.73615  249.058      7.30641  232.283     278.025     77.0861     278.025     
1 1 1 7  15 21 o 31.1733 3.92964 5.11236      1.91626  5.87606      1.6994   0.496904    63.6421     5.91148     243.642     
1 1 1 7  15 22 o 98.0499 2.08141 53.3017      3.13279  51.7437      3.14465  79.0505     327.505     10.8087     147.505     
1 1 1 7  15 23 o 95.5877 2.14672 50.6454      3.15402  49.2499      3.15716  105.246     254.362     48.6804     254.362     
1 1 1 7  15 24 f 32.7118 3.99685 6.38537      1.92911  5.73525      1.94823  32.7544     179.903     0           0           
1 1 1 7  15 25 o 55.7962 3.21532 19.5848      3.01742  14.9798      2.46905  50.7405     144.636     19.8019     144.636     
1 1 1 7  15 26 o 47.9441 3.15197 12.6689      2.53114  12.8055      2.03445  26.4355     157.056     21.3633     337.056     
1 1 1 7  15 27 o 45.9676 3.17941 12.0721      2.16035  11.4051      2.27583  20.3595     136.398     31.2089     316.398     
1 1 1 7  15 28 f 20.0722 4.93072 1.73297      1.71032  2.3934       2.02007  35.997      257.054     0           0           
1 1 1 7  15 29 o 79.3894 2.39687 39.6351      2.78348  29.993       2.98607  61.5078     350.344     13.1229     170.344     
1 1 1 7  15 30 o 58.3149 2.74523 16.214       2.41357  21.6139      2.45293  45.184      270.582     7.19235     90.5824     
1 1 1 7  15 31 o 63.6454 2.77435 22.0976      2.8031   22.8075      2.60025  60.1747     334.944     12.8364     334.944     
1 1 1 7  15 32 f 19.3605 4.54191 2.63658      1.51926  1.25724      1.75844  18.1492     188.567     0           0           
1 1 1 7  15 33 o 31.2293 3.84637 6.97383      1.77413  4.43023      1.75228  21.3055     34.5872     5.57955     214.587     
1 1 1 7  15 34 o 44.4697 3.25301 9.70286      2.28653  12.7402      2.00513  36.7016     196.009     0.355634    16.0087     
1 1 1 7  15 35 o 44.2293 3.23772 12.6961      2.1628   9.57913      2.14487  29.9447     79.6935     14.2142     259.694     
1 1 1 7  15 36 o 22.0463 4.65407 2.65569      1.62777  3.12585      1.77457  8.91958     191.546     1.61151     191.546     
1 1 1 7  15 37 o 67.9571 2.57141 27.4029      2.55412  24.2147      2.77898  57.8295     68.3696     0.944477    248.37      
1 1 1 7  15 38 o 13.8109 4.24458 -0.871923    1.71118  0.50226      1.71429  2.60543     48.7087     22.8178     48.7087     
1 1 1 7  15 39 f 32.7407 4.40939 6.33712      2.21967  6.62597      2.06007  33.184      110.62      0           0           
1 1 1 7  15 40 o 57.648  2.9478  19.1239      2.53497  18.7572      2.65973  49.7442     248.422     1.40579     248.422     
1 1 1 7  15 41 o 12.9766 4.03987 -1.38543     1.61766  0.566493     1.63122  0.640177    85.086      13.2845     85.0861     
1 1 1 7  15 42 o 28.172  4.52461 4.84769      1.91729  5.09597      1.91907  20.6095     19.1208     1.92004     199.121     
1 1 1 7  15 43 f 56.823  3.15577 21.1947      2.87346  16.4556      2.59829  43.7164     113.894     0           0           
1 1 1 7  15 44 o 47.022  3.85474 13.7725      2.87979  13.0905      2.59538  50.3176     248.831     23.6574     248.831     
1 1 1 7  15 45 o 29.1106 5.05363 6.48077      2.25057  5.04195      2.26979  22.0517     16.123      1.59546     196.123     
1 1 1 7  15 46 o 24.9465 5.23024 2.59586      2.30683  6.18183      2.30064  19.1376     114.275     0.076216    114.275     
1 1 1 7  15 47 o 18.3712 5.09835 3.19587      2.29116  0.660203     2.06464  11.7092     175.764     0.673662    175.764     
1 1 1 7  15 48 o 13.9051 4.38193 -0.315087    1.92626  0.42917      1.89023  2.87078     177.506     10.0379     357.506     
1 1 1 7  15 49 o 14.07   4.34196 -1.68701     1.98392  1.53522      1.85346  4.60457     358.657     0.213495    178.657     
1 1 1 7  15 50 o 23.2867 5.03693 5.22276      2.03661  2.98875      2.0624   21.0794     125.033     7.80245     125.033     
1 1 1 7  15 51 f 19.4786 5.04002 1.75756      2.04383  3.88821      2.05749  16.3695     154.398     0           0           
1 1 1 7  15 52 o 13.0775 4.1983  1.01112      1.87647  -1.7594      1.98022  4.21757     181.24      2.19906     1.23971     
1 1 1 7  15 53 o 14.1724 4.46023 1.5491       2.03914  -0.7585      1.99824  4.93757     33.1789     6.28796     213.179     
1 1 1 7  15 54 o 13.4657 4.36599 0.878915     2.04853  -1.26669     2.16454  0.442867    33.4165     15.5559     33.4165     
1 1 1 7  15 55 o 19.7037 5.50008 3.98802      2.3894   3.05794      2.60564  10.666      72.2174     3.09954     252.217     
1 1 1 7  15 56 o 13.8383 4.55414 1.02134      2.16709  -0.768453    2.70357  4.84212     252.756     2.85337     72.7557     
1 1 1 7  15 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  16 0  o 372.172 1.89636 754.706      10.8668  754.706      10.8668  408.384     90          144.055     90          
1 1 1 7  16 1  o 248.728 1.89665 343.763      7.27057  330.797      7.25652  218.077     108.677     7.75737     288.677     
1 1 1 7  16 2  o 120.209 2.00326 86.5199      3.71017  71.4582      3.6801   60.7362     155.929     87.0809     335.929     
1 1 1 7  16 3  o 39.2972 2.77758 9.56645      1.65452  7.52461      1.64199  17.0385     42.5816     81.6831     42.5816     
1 1 1 7  16 4  o 210.133 1.90948 234.479      6.17275  247.036      6.18178  213.158     58.0489     54.4206     58.0489     
1 1 1 7  16 5  o 265.013 1.96962 376.659      8.29164  389.207      7.76509  300.677     316.898     129.672     316.898     
1 1 1 7  16 6  o 24.9691 3.59415 2.98002      1.31544  4.12037      1.35567  15.2865     282.944     41.9218     282.944     
1 1 1 7  16 7  o 260.573 2.101   366.125      8.13717  374.443      8.71917  225.567     332.592     14.5665     152.592     
1 1 1 7  16 8  o 95.3801 2.20947 44.5022      3.08319  55.1302      3.39635  80.4064     19.9201     2.94489     19.9202     
1 1 1 7  16 9  o 38.9371 3.92025 8.59846      2.37492  8.33615      2.19192  0.0614321   97.749      40.1299     277.749     
1 1 1 7  16 10 o 85.4715 2.95683 37.8012      3.72099  42.2706      4.04097  62.5185     254.96      16.7247     74.9596     
1 1 1 7  16 11 o 105.21  2.66804 56.5841      4.34395  64.5748      4.26708  98.68       300.778     18.9744     300.778     
1 1 1 7  16 12 o 200.135 2.36749 219.43       6.99619  217.711      7.58209  182.519     210.758     9.77687     210.758     
1 1 1 7  16 13 o 131.947 2.46612 98.1067      4.82871  92.0639      5.16671  110.592     73.8329     8.92589     253.833     
1 1 1 7  16 14 o 47.752  3.37177 12.5957      2.44715  12.5973      2.44533  15.0587     300.08      36.4782     120.08      
1 1 1 7  16 15 o 28.7301 4.91918 3.28025      2.29724  6.14138      2.10926  5.10146     198.821     25.0341     198.821     
1 1 1 7  16 16 o 32.0577 4.70934 5.94906      2.11815  5.76244      2.37686  1.3547      118.199     19.8255     118.199     
1 1 1 7  16 17 o 99.8239 2.55878 57.7074      3.92469  51.3814      3.91902  70.2033     243.798     30.0856     63.7983     
1 1 1 7  16 18 o 124.141 2.42184 82.0174      4.61722  86.4578      4.63117  110.015     34.7875     4.97516     34.7875     
1 1 1 7  16 19 o 163.055 2.35581 158.231      5.93676  132.717      5.8652   167.496     116.656     49.0272     116.656     
1 1 1 7  16 20 o 72.2844 2.87613 30.1934      3.19819  27.2073      3.17323  51.2543     272.148     17.966      92.1478     
1 1 1 7  16 21 o 126.683 2.44976 90.3288      4.76825  85.2984      4.7774   144.825     162.596     70.2555     162.596     
1 1 1 7  16 22 o 116.721 2.4813  76.4148      4.46152  72.7748      4.44634  111.52      144.35      20.4757     144.35      
1 1 1 7  16 23 o 83.3734 2.57405 41.4688      3.6954   34.9293      2.89966  64.0351     114.023     13.8438     294.023     
1 1 1 7  16 24 o 55.0324 2.82788 17.7789      2.30613  15.654       2.43506  37.2508     44.6446     12.6974     224.645     
1 1 1 7  16 25 o 20.1556 4.45787 3.20883      1.55911  0.940882     1.74041  15.4449     287.633     50.1265     287.633     
1 1 1 7  16 26 o 65.7383 2.57571 22.9593      2.58585  24.6302      2.60669  57.2226     148.47      6.57424     148.47      
1 1 1 7  16 27 o 30.3709 4.22865 4.53832      1.90066  6.12947      1.90955  9.72627     9.12831     18.3552     189.128     
1 1 1 7  16 28 o 98.3071 2.13483 52.0011      3.21976  54.0899      3.2354   106.944     245.172     45.2696     245.172     
1 1 1 7  16 29 o 108.447 2.24045 65.1246      3.7609   64.1982      3.71407  112.427     329.495     36.9744     329.495     
1 1 1 7  16 30 o 16.0689 4.55996 -0.255116    1.64504  1.58199      1.8923   6.42634     165.385     31.0982     165.385     
1 1 1 7  16 31 o 46.186  2.94981 13.5853      2.12235  10.3949      2.01059  43.465      294.579     11.1893     294.579     
1 1 1 7  16 32 o 35.0711 3.59523 9.28404      1.80324  5.0939       1.82321  21.4796     296.066     13.6269     116.066     
1 1 1 7  16 33 o 33.0223 3.66439 5.00869      1.75764  7.70619      1.7931   23.7729     48.6471     16.8616     48.6471     
1 1 1 7  16 34 o 46.1749 2.96348 10.0021      2.04193  14.2057      2.07446  38.8294     100.196     0.983642    100.196     
1 1 1 7  16 35 o 57.7823 2.62869 18.3233      2.30314  19.0107      2.35     48.7087     118.181     0.483948    298.181     
1 1 1 7  16 36 o 22.5648 5.08384 3.90869      2.23018  2.21941      1.78164  13.9522     120.531     0.686383    300.531     
1 1 1 7  16 37 o 15.8781 4.58304 0.638848     1.68494  0.897207     1.85643  4.30871     122.361     10.8627     302.361     
1 1 1 7  16 38 o 81.7558 2.3529  37.78        2.94748  36.9315      2.96398  69.4696     263.051     1.44571     83.0506     
1 1 1 7  16 39 o 17.7944 4.6567  2.89537      1.87157  -0.325934    1.86837  7.71937     208.527     3.80522     28.5274     
1 1 1 7  16 40 o 26.2784 4.72475 5.28238      2.01147  3.50356      1.8554   21.4553     351.749     6.64577     351.749     
1 1 1 7  16 41 o 16.8652 4.52863 0.0534711    1.69916  2.37416      1.74783  4.64985     59.5381     2.55334     239.538     
1 1 1 7  16 42 o 40.6891 4.26935 15.1099      2.43179  6.07815      2.38789  35.5841     7.56852     5.09659     7.56852     
1 1 1 7  16 43 o 20.2342 5.08331 2.12315      2.04495  2.97945      1.96888  11.9394     6.86587     0.386471    186.866     
1 1 1 7  16 44 o 14.9177 4.52773 1.23248      1.94668  -0.438024    1.85991  4.45045     314.263     2.4974      134.263     
1 1 1 7  16 45 o 30.4895 5.13063 7.95047      2.42776  5.1025       2.38407  26.6063     109.381     4.9877      109.381     
1 1 1 7  16 46 o 26.697  5.66387 5.29187      2.52222  5.3879       2.50463  14.9857     165.827     12.1098     345.827     
1 1 1 7  16 47 o 25.2245 5.09028 3.26553      2.03686  6.05167      2.23441  22.2712     208.021     9.91261     208.021     
1 1 1 7  16 48 f 24.5677 4.99706 3.34398      2.02488  5.57083      2.06783  16.4327     17.5246     0           0           
1 1 1 7  16 49 o 17.942  4.8733  0.79902      1.9699   3.33198      2.02002  13.1899     145.682     3.84758     145.682     
1 1 1 7  16 50 o 11.9249 3.95837 -0.270275    1.84641  -1.69955     1.88068  2.81312     259.789     3.06705     79.789      
1 1 1 7  16 51 o 15.723  4.78626 1.22172      2.20611  1.32265      1.99493  7.50739     275.66      1.14881     275.66      
1 1 1 7  16 52 o 14.9096 4.64999 0.0596436    2.14813  1.55369      2.08875  4.7612      236.618     9.50152     56.6184     
1 1 1 7  16 53 f 17.8306 5.26797 1.92207      2.44342  2.86393      2.4161   11.0186     165.419     0           0           
1 1 1 7  16 54 o 14.7015 4.64415 0.92674      2.17761  0.822792     2.1158   2.99099     171.702     2.92034     351.702     
1 1 1 7  16 55 o 13.8675 4.4636  -1.25639     2.14806  1.96653      2.20063  3.8227      255.515     1.04755     75.5152     
1 1 1 7  16 56 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  17 0  o 7.04393 3.37339 -0.555274    1.08562  -0.555274    1.08562  5.51151     270         11.282      270         
1 1 1 7  17 1  o 57.1111 2.3756  17.5531      2.08272  18.1671      2.07665  17.0451     165.575     55.0119     345.575     
1 1 1 7  17 2  o 105.199 2.1039  62.377       3.31238  58.4658      3.48644  109.844     25.5428     45.0547     25.5428     
1 1 1 7  17 3  o 137.362 1.98352 96.3485      4.18196  109.642      4.19702  97.6089     177.226     45.068      357.226     
1 1 1 7  17 4  o 10.6212 3.29875 -0.699734    1.06081  0.0209649    1.04551  35.5933     256.627     75.2992     256.627     
1 1 1 7  17 5  o 140.991 1.99886 107.029      4.3361   109.783      4.34294  131.611     224.647     18.0473     224.647     
1 1 1 7  17 6  o 91.2483 2.25229 45.2969      3.17501  45.6647      3.14453  81.161      139.765     11.5139     139.765     
1 1 1 7  17 7  o 183.458 2.24222 187.228      6.39654  180.046      6.27221  165.241     301.555     7.22688     301.555     
1 1 1 7  17 8  o 135.498 2.34174 86.6185      5.13573  114.814      4.43173  122.603     276.224     10.2221     276.224     
1 1 1 7  17 9  o 121.193 2.65439 84.9133      4.96311  75.7738      4.92238  82.7606     63.4212     44.6435     243.421     
1 1 1 7  17 10 o 74.6068 2.91234 32.2587      3.14457  28.8035      3.48341  47.0755     326.405     27.352      146.405     
1 1 1 7  17 11 o 183.618 2.51858 186.517      7.12869  181.662      7.11325  191.664     179.801     61.6136     179.801     
1 1 1 7  17 12 o 131.272 2.51095 94.6711      4.83047  93.6542      5.298    98.3755     185.567     31.1907     5.56675     
1 1 1 7  17 13 o 50.2065 3.29402 14.9124      2.51973  12.948       2.50548  22.7661     32.1322     21.7417     212.132     
1 1 1 7  17 14 o 14.1469 4.32919 0.555019     1.7959   -1.5887      1.81202  12.2304     101.315     27.5159     101.315     
1 1 1 7  17 15 o 112.791 2.47243 71.8763      4.28689  67.2679      4.28762  123.304     335.326     56.6556     335.326     
1 1 1 7  17 16 o 79.8337 2.74384 37.9491      3.35641  32.031       3.35115  81.3876     113.269     35.7725     113.269     
1 1 1 7  17 17 o 58.949  3.1735  18.5404      2.85979  19.7584      2.85582  52.4251     241.308     21.6298     241.308     
1 1 1 7  17 18 o 45.4358 3.63568 11.3691      2.49355  11.5905      2.50454  16.7682     340.898     37.0669     160.898     
1 1 1 7  17 19 o 50.5682 3.44919 16.4368      2.64531  12.0725      2.60894  33.675      254.356     10.2609     74.3556     
1 1 1 7  17 20 o 79.0171 2.75032 37.3316      3.32965  31.3609      3.3234   70.4581     101.214     9.05182     101.214     
1 1 1 7  17 21 o 99.5359 2.85976 53.9849      4.35322  54.8631      4.39511  71.1121     234.879     29.0315     54.879      
1 1 1 7  17 22 o 68.4643 3.29355 30.1578      3.44303  21.9853      3.39687  49.2784     271.025     14.3843     91.0248     
1 1 1 7  17 23 o 73.4683 2.82352 29.0306      3.1678   30.4441      3.19605  73.9961     222.731     28.845      222.731     
1 1 1 7  17 24 o 56.8417 3.15709 17.599       2.73042  18.229       2.75169  56.738      135.552     32.0792     135.552     
1 1 1 7  17 25 o 22.6139 3.98651 4.68937      1.48102  1.09743      1.5619   9.44882     7.39591     47.2068     7.39591     
1 1 1 7  17 26 o 79.3479 2.88013 31.546       3.73778  38.2335      3.16717  69.9951     38.3422     5.22251     38.3422     
1 1 1 7  17 27 o 15.7496 4.30349 1.38354      1.53613  0.42301      1.46691  13.0781     281.17      43.4108     281.17      
1 1 1 7  17 28 o 68.0968 2.43876 26.6451      2.63985  24.6023      2.4591   43.1522     163.642     30.3575     343.642     
1 1 1 7  17 29 o 68.4319 2.55488 26.0482      2.67998  25.8377      2.68541  48.1613     157.373     20.9849     337.373     
1 1 1 7  17 30 o 31.929  3.82385 4.08934      1.72073  7.98313      1.83513  25.0753     302.117     2.55572     302.117     
1 1 1 7  17 31 o 34.1335 3.49091 6.35944      1.77458  6.9975       1.78556  30.0693     197.861     8.80991     197.861     
1 1 1 7  17 32 o 26.1762 4.48257 3.84855      1.67236  4.36668      1.90377  17.6319     304.1       5.40961     304.1       
1 1 1 7  17 33 o 24.764  4.54968 3.10996      1.68148  4.29947      1.83647  10.3796     148.955     16.0028     328.955     
1 1 1 7  17 34 o 48.7481 2.93991 14.4396      2.14584  12.4221      2.20841  46.0867     195.466     11.4228     195.466     
1 1 1 7  17 35 o 41.3192 3.21595 9.30611      1.9865   10.2255      2.03645  33.4499     146.691     1.52188     326.69      
1 1 1 7  17 36 o 40.5558 3.29761 10.1697      2.01465  8.78831      2.01766  29.2193     273.58      9.39927     93.5798     
1 1 1 7  17 37 o 38.6395 3.46378 9.01987      2.02541  8.38875      2.00225  32.8256     356.45      2.28465     356.45      
1 1 1 7  17 38 o 21.6928 4.7913  1.76832      1.83731  3.95339      1.86442  10.315      122.813     10.4663     302.813     
1 1 1 7  17 39 o 47.4865 3.2734  13.5452      2.36861  12.6765      2.35587  49.6594     141.822     21.8853     141.822     
1 1 1 7  17 40 o 16.8898 4.52376 2.48827      1.6936   -0.509437    1.91474  3.93813     263.986     12.3775     83.9865     
1 1 1 7  17 41 o 25.7337 5.40307 2.76346      2.55131  5.99094      2.33668  15.6542     353.322     7.17842     173.322     
1 1 1 7  17 42 o 48.7841 3.54471 13.515       2.61019  15.1189      2.6325   44.2976     300.402     8.13858     300.402     
1 1 1 7  17 43 o 12.7647 4.08466 -2.6053      1.8115   0.699664     1.84189  1.466       114.855     2.08481     294.855     
1 1 1 7  17 44 o 12.3806 4.07884 -1.95331     1.96442  -0.387053    1.88553  1.71002     17.4609     11.5211     197.461     
1 1 1 7  17 45 o 26.0715 5.39034 7.20038      2.50136  2.77692      2.50253  21.5047     46.0569     4.17769     46.0569     
1 1 1 7  17 46 o 51.3478 3.57663 16.0609      2.50106  16.8618      3.0505   55.0555     120.159     26.2249     120.159     
1 1 1 7  17 47 o 26.7405 5.09848 5.6336       2.19471  4.97919      2.10255  20.4991     47.0396     0.614196    227.039     
1 1 1 7  17 48 o 16.716  4.75469 0.541863     1.94277  2.62696      1.95528  10.102      194.48      3.85178     194.48      
1 1 1 7  17 49 o 24.8941 5.16386 5.92948      2.11081  3.84105      2.25319  14.5084     324.501     9.58639     144.501     
1 1 1 7  17 50 o 22.3191 5.30015 4.91097      2.09043  3.26388      2.39346  14.3374     323.407     4.51886     143.407     
1 1 1 7  17 51 o 13.3001 4.29203 0.835822     1.99496  -1.01011     1.97482  2.43366     339.535     1.28105     159.535     
1 1 1 7  17 52 o 16.9438 4.9487  2.42166      2.09189  1.56207      2.13213  5.24197     231.499     1.84045     51.4988     
1 1 1 7  17 53 o 19.7972 5.15702 1.96545      2.17057  4.65473      2.19473  10.7683     341.068     3.15934     161.068     
1 1 1 7  17 54 o 14.8026 4.6243  0.242161     2.12712  2.10823      2.10413  6.09766     41.5444     3.27322     221.544     
1 1 1 7  17 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  18 0  o 115.564 2.07775 72.9194      3.69207  72.9194      3.69207  150.106     270         94.992      270         
1 1 1 7  18 1  o 287.789 1.90784 458.544      8.46195  444.804      8.44653  319.448     230.733     131.142     230.733     
1 1 1 7  18 2  o 203.038 1.93451 228.395      6.05222  221.266      6.04353  206.834     163.697     57.9993     163.697     
1 1 1 7  18 3  o 100.883 2.09702 57.5916      3.2584   53.578       3.24708  113.241     228.447     65.7851     228.447     
1 1 1 7  18 4  o 167.631 1.94905 155.01       5.03745  151.505      5.02447  183.719     358.026     77.1817     358.026     
1 1 1 7  18 5  o 107.119 2.42844 63.1068      3.4694   62.306       4.4618   100.417     78.7305     21.2352     78.7305     
1 1 1 7  18 6  o 172.6   2.21085 171.429      5.6078   153.935      6.09505  138.161     259.921     25.4053     79.9211     
1 1 1 7  18 7  o 173.416 2.17974 164.177      5.31919  164.034      6.28175  150.555     187.867     1.56832     7.86667     
1 1 1 7  18 8  o 88.6498 2.89602 45.6701      3.93889  40.5182      3.93564  87.2377     286.253     32.8893     286.253     
1 1 1 7  18 9  o 33.6161 5.01552 5.71807      2.52414  7.22807      2.5078   1.05909     110.025     32.5949     110.025     
1 1 1 7  18 10 o 164.725 2.33077 148.851      5.91449  147.454      5.90986  176.458     194.547     67.3656     194.547     
1 1 1 7  18 11 o 46.0505 3.53356 10.4469      2.43315  13.1467      2.47234  22.8334     51.9344     0.436954    231.935     
1 1 1 7  18 12 o 80.24   2.70158 35.0853      3.33586  35.4712      3.32096  54.1224     235.773     25.7712     55.7732     
1 1 1 7  18 13 o 209.106 2.28883 235.083      7.37341  242.587      7.36512  199.46      242.103     32.0578     242.103     
1 1 1 7  18 14 o 172.829 2.33423 170.184      6.21489  156.37       6.20182  132.305     251.837     38.1667     71.8374     
1 1 1 7  18 15 o 67.5507 2.91952 27.3134      3.02092  22.9475      3.00665  26.2893     358.886     61.1703     178.886     
1 1 1 7  18 16 o 60.1319 3.12653 16.1645      2.81201  24.1029      2.85083  57.4417     119.491     26.0372     119.491     
1 1 1 7  18 17 o 161.257 2.34942 135.266      5.81576  149.338      5.84279  138.546     72.1955     4.03919     252.196     
1 1 1 7  18 18 o 164.274 2.45819 152.431      6.49878  143.084      5.93823  155.233     231.946     24.6579     231.946     
1 1 1 7  18 19 o 156.709 2.49515 144.561      5.72604  124.916      6.23716  147.706     253.099     23.4661     253.099     
1 1 1 7  18 20 o 82.3639 3.06661 45.5518      3.83695  30.0638      3.79177  84.9544     256.884     34.7608     256.884     
1 1 1 7  18 21 o 23.8149 5.10539 0.667221     2.26644  5.18697      2.28678  2.33818     342.597     23.4136     342.597     
1 1 1 7  18 22 o 94.3645 2.69234 51.2735      4.07113  46.8126      3.73931  105.957     180.389     53.778      180.389     
1 1 1 7  18 23 o 30.0865 5.16169 6.91823      2.35901  3.72429      2.48469  9.27757     336.73      20.0719     156.73      
1 1 1 7  18 24 o 127.963 2.7893  99.1019      5.7981   82.042       5.1854   109.388     123.111     2.57177     303.111     
1 1 1 7  18 25 o 53.5614 3.65761 17.4206      3.1566   14.9148      2.80536  47.9492     347.194     8.70817     347.194     
1 1 1 7  18 26 o 46.0985 3.77469 12.2884      2.59445  11.8202      2.66229  27.7191     199.11      20.9021     19.1097     
1 1 1 7  18 27 o 55.6854 3.16736 15.6322      2.68029  19.2065      2.68083  51.8177     150.587     10.8651     150.587     
1 1 1 7  18 28 o 37.8787 3.49801 5.66753      1.7401   11.1293      2.18402  13.9635     216.466     34.4322     36.4657     
1 1 1 7  18 29 o 39.6506 3.51903 11.7729      2.04574  6.53449      2.00053  23.4992     141.149     17.8568     321.149     
1 1 1 7  18 30 o 56.4774 2.71952 18.7566      2.22288  16.9183      2.45383  60.1446     151.353     27.0145     151.353     
1 1 1 7  18 31 o 54.4756 2.65038 16.6889      2.20377  16.5007      2.21558  37.2152     182.639     17.1807     2.63887     
1 1 1 7  18 32 o 24.0235 4.39635 2.67878      1.65974  4.27153      1.6674   10.1115     359.928     15.1437     179.928     
1 1 1 7  18 33 o 23.777  4.43135 4.55387      1.70027  2.2771       1.70148  15.2895     168.835     3.2255      348.835     
1 1 1 7  18 34 o 31.7735 3.89961 5.80906      1.83791  6.13464      1.83903  26.4456     267.136     2.17015     267.136     
1 1 1 7  18 35 o 14.3325 4.26019 1.24975      1.65937  -1.30102     1.76175  3.14671     91.0065     4.17042     271.006     
1 1 1 7  18 36 o 29.5293 4.23064 5.52753      1.85305  5.11014      1.86224  18.2884     156.823     10.081      336.823     
1 1 1 7  18 37 o 55.3504 2.79507 18.5733      2.36948  16.3981      2.3566   54.5701     166.918     17.4275     166.918     
1 1 1 7  18 38 f 45.6978 3.21229 13.9543      2.20996  10.4195      2.20431  27.0612     216.263     0           0           
1 1 1 7  18 39 o 33.214  4.2232  8.90776      2.0943   4.94633      2.01455  28.8265     113.528     6.39516     113.528     
1 1 1 7  18 40 o 19.0851 5.13163 2.43691      2.10082  1.6899       2.08656  7.78054     348.935     1.10976     348.935     
1 1 1 7  18 41 o 20.8362 5.1502  3.4618       2.00071  2.12959      2.16272  13.323      0.541615    3.95187     0.541615    
1 1 1 7  18 42 o 21.4414 5.47791 3.03197      2.24851  3.31018      2.39082  12.2408     76.3311     6.95514     256.331     
1 1 1 7  18 43 o 36.1107 4.79042 9.10257      2.70699  8.47309      2.42354  31.8864     238.35      5.83045     238.35      
1 1 1 7  18 44 o 40.6002 4.06641 9.2406       2.53176  11.9553      2.30744  31.87       337.33      2.16755     157.33      
1 1 1 7  18 45 o 15.0979 4.72245 -0.857776    2.35285  1.27763      2.12542  4.35765     36.9247     10.5469     216.925     
1 1 1 7  18 46 o 28.2618 5.09293 8.11071      2.34142  3.9642       2.3404   17.6308     45.7115     9.62477     225.711     
1 1 1 7  18 47 o 18.1742 4.96335 3.35696      1.98735  0.776203     2.26783  12.5265     70.4534     1.21185     70.4534     
1 1 1 7  18 48 o 40.2105 4.25584 12.7074      2.678    9.64162      2.4199   32.2382     63.8443     0.383234    243.844     
1 1 1 7  18 49 o 14.3261 4.49799 -1.02407     2.1912   1.5732       1.98268  1.40341     173.317     0.194634    173.317     
1 1 1 7  18 50 o 17.9705 5.06851 2.34761      2.12419  2.6152       2.10338  8.06248     100.266     7.81673     280.266     
1 1 1 7  18 51 o 16.9957 4.94024 2.55451      2.08704  1.49578      2.10728  5.15812     259.626     2.85472     79.6261     
1 1 1 7  18 52 o 23.5418 5.41427 5.13559      2.24105  4.80667      2.2616   16.4596     107.194     1.07412     107.193     
1 1 1 7  18 53 o 17.3296 5.0784  2.42828      2.21138  2.89849      2.23096  8.55091     167.606     5.76908     347.606     
1 1 1 7  18 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  19 0  o 103.04  2.50859 58.1083      3.96968  58.1083      3.96968  99.8408     270         17.8135     270         
1 1 1 7  19 1  o 233.626 2.09875 304.28       6.95521  291.537      8.07681  235.56      3.9185      62.6758     3.9185      
1 1 1 7  19 2  o 88.9026 2.17403 48.1312      2.9688   38.523       2.94875  95.6215     114.768     49.7303     114.768     
1 1 1 7  19 3  o 135.232 2.04806 98.6334      4.26687  100.968      4.2625   116.379     300.144     0.183611    120.143     
1 1 1 7  19 4  o 13.4672 3.82971 0.108153     1.22955  0.736023     1.22627  20.3683     175.926     46.2149     175.926     
1 1 1 7  19 5  o 90.0545 2.31708 45.7397      3.20656  42.9785      3.20671  45.2784     306.942     62.4005     126.942     
1 1 1 7  19 6  o 39.11   3.26851 8.60818      1.83479  8.38297      2.01723  14.833      94.8076     8.31287     274.808     
1 1 1 7  19 7  o 40.8717 3.64168 10.3538      2.14033  8.32367      2.29208  10.588      202.487     84.9204     202.487     
1 1 1 7  19 8  o 189.086 2.53849 197.807      7.39333  193.134      7.38864  190.968     66.2447     52.7201     66.2447     
1 1 1 7  19 9  o 90.1095 2.91419 44.5775      3.99569  44.5214      4.06987  72.4764     151.042     7.29597     331.042     
1 1 1 7  19 10 o 251.372 2.26439 339.522      8.76373  351.032      8.76473  246.534     49.9817     53.1892     49.9817     
1 1 1 7  19 11 o 27.8923 4.88728 4.90289      2.08004  4.05361      2.10624  1.87139     281.852     15.665      101.852     
1 1 1 7  19 12 o 191.26  2.4125  212.327      7.45592  188.162      6.76019  182.302     329.749     31.7014     329.749     
1 1 1 7  19 13 f 217.76  2.41321 261.875      7.69988  256.976      8.45848  147.619     194.99      0           0           
1 1 1 7  19 14 o 31.8084 4.6004  6.96309      2.17274  4.72293      2.18243  5.59534     341.992     23.7872     161.992     
1 1 1 7  19 15 o 75.2429 2.98997 27.7285      3.58162  34.8361      3.23112  36.9927     35.893      52.2518     215.893     
1 1 1 7  19 16 o 71.004  2.8435  26.4253      3.09331  29.1373      3.0934   66.9255     69.671      20.6259     69.671      
1 1 1 7  19 17 o 149.19  2.36823 122.317      5.43808  121.57       5.44324  145.136     356.33      33.2643     356.33      
1 1 1 7  19 18 o 53.666  3.34495 15.3392      2.8356   16.6955      2.6159   31.8926     158.609     21.8251     338.609     
1 1 1 7  19 19 o 94.0869 3.22807 49.0144      5.14331  48.9149      4.12268  83.3229     348.952     7.42194     348.952     
1 1 1 7  19 20 o 64.1749 3.42356 24.7088      3.50238  21.2094      3.2151   58.3977     200.375     12.5433     200.375     
1 1 1 7  19 21 o 60.9682 3.11334 22.1777      3.01814  19.1839      2.78885  56.0066     256.164     12.9496     256.164     
1 1 1 7  19 22 o 60.6201 3.32703 20.0612      3.09593  20.9758      3.0647   54.8893     14.7019     10.2011     14.7019     
1 1 1 7  19 23 o 31.5594 5.34448 5.97903      2.30081  5.87736      2.83284  14.3068     334.137     18.7975     154.137     
1 1 1 7  19 24 o 61.8994 3.14845 22.7616      2.82189  20.1013      3.10269  61.8705     282.777     20.5845     282.777     
1 1 1 7  19 25 f 67.9992 3.13599 27.8369      3.27286  23.9615      3.2455   44.373      7.06655     0           0           
1 1 1 7  19 26 o 27.4883 5.11029 4.8596       2.06295  4.20362      2.34024  10.8576     309.523     19.6531     129.523     
1 1 1 7  19 27 o 44.622  4.52258 14.1656      2.78534  9.32996      3.05635  44.2792     205.155     18.0594     205.155     
1 1 1 7  19 28 o 46.0999 3.90894 13.6013      2.50828  10.9609      2.83556  35.6727     296.485     4.20191     116.485     
1 1 1 7  19 29 o 71.0951 3.01751 30.6316      3.43015  26.2949      3.14754  57.1804     125.259     5.76342     305.259     
1 1 1 7  19 30 o 23.0822 4.98894 4.51968      2.06013  1.70539      2.03107  4.277       173.619     25.9409     353.619     
1 1 1 7  19 31 o 62.4873 2.56721 19.7195      2.32302  24.073       2.59748  57.163      90.5686     9.44373     90.5686     
1 1 1 7  19 32 o 16.8945 4.54153 0.831323     1.76117  1.68138      1.55709  6.89675     243.381     1.93881     63.3811     
1 1 1 7  19 33 o 63.7778 2.63114 23.0324      2.47946  22.7755      2.66121  52.8981     62.7872     1.62223     242.787     
1 1 1 7  19 34 o 39.529  3.4187  7.75114      2.0046   10.5532      2.02328  29.5334     245.405     5.4457      65.4046     
1 1 1 7  19 35 o 55.6537 2.77285 19.1483      2.35457  16.1808      2.35305  57.0663     133.375     22.4965     133.375     
1 1 1 7  19 36 o 24.1999 4.72526 3.78537      1.81235  3.63601      1.82602  10.2758     348.219     15.7186     168.219     
1 1 1 7  19 37 o 25.4538 4.9642  4.25849      1.8537   4.0982       2.17853  17.3902     54.3202     9.07464     54.3202     
1 1 1 7  19 38 o 28.8516 4.63763 6.62691      1.95309  4.11685      2.12488  22.1643     323.812     1.02591     323.812     
1 1 1 7  19 39 o 31.4087 4.76864 7.23241      2.30134  5.72586      2.17981  24.9968     34.0496     1.44891     34.0495     
1 1 1 7  19 40 o 14.0735 4.2663  -1.16853     1.75152  1.32826      1.74709  3.5514      136.256     7.33848     316.256     
1 1 1 7  19 41 o 25.2597 5.29828 4.18027      2.2195   4.94931      2.21347  16.9991     158.572     4.78452     338.572     
1 1 1 7  19 42 o 39.3732 4.73428 10.2861      2.69758  10.5362      2.83693  38.1063     41.0775     13.4715     41.0775     
1 1 1 7  19 43 o 14.1237 4.52212 -0.0479851   2.12041  -0.236354    2.10852  2.32014     49.5963     1.57369     229.596     
1 1 1 7  19 44 o 23.011  5.58794 6.2338       2.65914  1.84503      2.55303  5.23549     305.413     25.2928     125.413     
1 1 1 7  19 45 o 16.1148 4.82679 2.66551      2.3168   -0.428023    1.97559  6.26173     70.0962     10.438      250.096     
1 1 1 7  19 46 o 20.4867 5.39844 2.73489      2.36124  3.88655      2.26362  10.3699     202.357     9.59219     22.357      
1 1 1 7  19 47 o 17.3297 4.89657 3.19636      2.01975  0.263889     2.28388  8.44534     191.281     6.74374     11.2814     
1 1 1 7  19 48 o 22.4145 5.33556 3.83923      2.16881  4.63707      2.20448  13.7917     207.839     5.49371     27.8391     
1 1 1 7  19 49 o 22.8319 4.94048 6.72705      2.21932  1.59335      2.20514  15.0067     7.48814     1.95935     187.488     
1 1 1 7  19 50 f 18.3444 5.04461 3.85462      2.14635  1.24314      2.17396  10.7878     328.502     0           0           
1 1 1 7  19 51 o 19.9648 5.22972 4.68398      2.21075  2.46736      2.22639  10.4124     331.416     5.59172     151.416     
1 1 1 7  19 52 o 18.2104 5.06221 4.49726      2.23021  1.25794      2.23521  8.9275      87.6547     7.46873     267.655     
1 1 1 7  19 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  20 0  f 56.8027 2.4961  17.8099      2.1638   17.8099      2.1638   56.7724     270         0           0           
1 1 1 7  20 1  o 105.309 2.13923 64.8995      3.46593  56.5175      3.45321  72.9575     264.391     33.7217     84.3911     
1 1 1 7  20 2  o 42.9152 2.9698  9.95077      1.9831   10.4298      1.88676  20.6749     167.137     20.2203     347.137     
1 1 1 7  20 3  o 107.406 2.09347 67.1295      3.46232  59.1307      3.4464   97.1784     239.781     12.3027     239.781     
1 1 1 7  20 4  o 243.868 2.15401 323.588      7.8559   326.348      8.31715  250.482     288.429     77.3193     288.429     
1 1 1 7  20 5  o 69.2315 3.10358 25.6817      3.81992  27.1259      2.6014   51.0651     174.659     10.6485     354.659     
1 1 1 7  20 6  o 26.1393 4.20967 4.04079      1.85396  3.79555      1.45992  0.19121     256.331     10.4567     76.3313     
1 1 1 7  20 7  o 81.8239 3.0325  35.1604      3.79637  38.5517      3.81319  73.8199     211.428     13.0586     211.428     
1 1 1 7  20 8  o 94.0309 2.88876 50.2008      4.17994  46.9964      4.16282  93.2192     213.985     30.2807     213.985     
1 1 1 7  20 9  o 156.654 2.35945 132.187      5.69025  136.427      5.6921   141.984     220.779     14.4383     220.779     
1 1 1 7  20 10 o 125.876 2.41389 86.0835      4.67252  87.5563      4.67659  119.593     162.441     24.8957     162.441     
1 1 1 7  20 11 o 68.1114 3.00688 24.4764      3.27009  26.7241      2.9798   46.4807     305.37      17.7823     125.37      
1 1 1 7  20 12 o 31.5814 4.43957 5.52364      2.07737  5.94248      2.0885   5.10342     178.472     26.2766     358.472     
1 1 1 7  20 13 o 35.9234 4.16548 6.55947      2.16843  8.16581      2.27266  12.1643     21.0338     23.2843     201.034     
1 1 1 7  20 14 o 139.175 2.61874 107.256      5.62586  105.574      5.58882  136.23      187.496     34.461      187.496     
1 1 1 7  20 15 o 68.7983 3.14358 22.6335      3.47905  30.0259      2.99857  65.2684     120.244     19.7562     120.244     
1 1 1 7  20 16 o 42.8365 3.77168 9.17409      2.45695  11.5658      2.36368  17.8457     188.876     30.9621     8.87632     
1 1 1 7  20 17 o 197.152 2.55551 202.759      7.73775  224.981      7.76428  181.162     124.958     22.3221     124.958     
1 1 1 7  20 18 o 28.8635 5.1591  5.24383      2.28869  4.58203      2.30485  8.50595     217.448     21.4494     37.4483     
1 1 1 7  20 19 o 47.8173 3.40041 13.4615      2.4658   12.2113      2.46821  42.1081     99.993      9.49382     99.993      
1 1 1 7  20 20 o 125.44  2.52649 82.0451      4.63038  91.7344      5.12383  133.481     113.526     52.651      113.526     
1 1 1 7  20 21 o 50.4905 3.64081 13.1712      2.76634  15.7031      2.79848  38.847      359.236     5.45335     179.236     
1 1 1 7  20 22 o 57.0612 3.58591 18.6248      3.00969  18.1575      3.21836  45.839      73.1709     3.20045     253.171     
1 1 1 7  20 23 o 128.82  2.68362 88.783       4.81882  95.3737      5.79911  127.667     30.8776     35.2113     30.8776     
1 1 1 7  20 24 o 47.0115 3.79961 12.1168      2.7069   13.1758      2.68973  30.4618     78.853      16.399      258.853     
1 1 1 7  20 25 f 48.6486 3.43409 14.1633      2.52344  12.7428      2.54468  38.2804     42.7207     0           0           
1 1 1 7  20 26 o 55.678  3.43541 15.9647      3.03     19.3434      2.73228  36.9058     63.9931     18.9827     243.993     
1 1 1 7  20 27 o 14.1448 4.63898 -1.68546     2.17105  -1.57502     2.62308  0.929295    277.377     11.2162     277.377     
1 1 1 7  20 28 o 68.0096 2.91783 25.171       3.02194  26.8714      3.05933  60.1387     126.323     6.40037     126.323     
1 1 1 7  20 29 o 64.8658 3.01575 22.4397      2.95589  25.1543      3.03126  65.882      148.266     23.6375     148.266     
1 1 1 7  20 30 o 19.0659 5.01408 1.04252      1.97727  2.54384      2.0311   6.37134     260.112     14.4518     80.1116     
1 1 1 7  20 31 o 49.1993 3.51371 14.2416      2.62302  13.8185      2.62747  40.5022     65.5391     0.429913    245.539     
1 1 1 7  20 32 o 35.8238 4.46493 8.05386      2.3748   7.61226      2.3705   29.8371     44.6006     2.9287      44.6005     
1 1 1 7  20 33 o 35.1549 5.35518 10.0033      3.82109  6.20744      1.80057  30.2856     185.226     6.28405     185.226     
1 1 1 7  20 34 o 21.3477 4.5235  4.29406      1.71127  0.973024     1.88277  10.0992     345.561     9.01549     165.561     
1 1 1 7  20 35 o 15.9291 4.50082 1.39272      1.66849  0.6054       1.69825  3.29891     260.331     4.91303     80.3308     
1 1 1 7  20 36 o 11.3999 3.72429 -2.55066     1.57458  -0.0376932   1.60922  4.76511     43.2647     20.8343     43.2647     
1 1 1 7  20 37 o 13.5856 4.20575 0.573081     1.69774  -0.628204    1.7038   0.327641    281.579     15.6318     281.579     
1 1 1 7  20 38 o 16.5048 4.71061 0.0373514    1.93232  2.13264      1.91843  6.10155     311.027     0.966201    131.027     
1 1 1 7  20 39 o 23.8832 4.72648 2.15506      1.91212  5.61102      1.96588  15.545      160.357     4.89517     340.357     
1 1 1 7  20 40 o 29.6534 5.21    7.70809      2.28419  4.79293      2.6026   24.803      208.208     4.00053     208.208     
1 1 1 7  20 41 o 36.3374 4.71243 11.0492      2.50241  6.9886       2.52048  32.5039     298.805     7.952       298.805     
1 1 1 7  20 42 o 42.0262 3.7382  13.1251      2.33561  9.3713       2.31819  36.7939     30.9426     6.17923     30.9426     
1 1 1 7  20 43 o 29.8203 5.55126 7.38265      2.67851  6.42684      2.49155  23.1837     96.9708     0.00985757  276.971     
1 1 1 7  20 44 o 17.4527 5.03194 2.606        2.13261  1.14364      2.21917  10.5201     337.757     2.22044     157.757     
1 1 1 7  20 45 o 19.3452 5.32634 2.9896       2.31425  2.83701      2.25135  13.1636     259.116     1.21386     259.116     
1 1 1 7  20 46 f 14.4197 4.64354 1.54991      2.36991  -1.66464     2.32428  6.39668     250.894     0           0           
1 1 1 7  20 47 o 17.0562 5.02391 0.541897     2.24454  3.16566      2.30028  7.241       90.3646     8.35576     270.365     
1 1 1 7  20 48 o 23.6619 5.32759 5.63667      2.22447  3.85238      2.24335  16.0287     58.5789     0.423958    58.5788     
1 1 1 7  20 49 o 14.13   4.48372 -0.508298    2.03725  1.41948      2.08736  1.4207      90.0073     10.2304     270.007     
1 1 1 7  20 50 o 14.2801 4.53941 1.70649      2.12901  -0.151334    2.11742  3.91017     58.7162     6.38689     238.716     
1 1 1 7  20 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  21 0  o 46.1652 3.36595 12.0356      2.3295   12.0356      2.3295   37.81       270         12.5542     270         
1 1 1 7  21 1  o 57.4095 2.89018 22.7427      2.43159  14.1497      2.50758  42.1295     343.484     4.33201     163.484     
1 1 1 7  21 2  o 121.1   2.08997 79.497       3.89767  80.9485      3.89684  100.499     29.374      4.37431     209.374     
1 1 1 7  21 3  f 36.7358 3.17377 9.15991      1.7301   6.06965      1.71778  29.9464     274.057     0           0           
1 1 1 7  21 4  o 136.76  2.16072 98.959       4.54834  105.814      4.5486   156.515     309.065     82.3072     309.065     
1 1 1 7  21 5  o 120.764 2.30826 84.9258      4.46346  75.1038      4.11586  109.026     241.608     13.6078     241.608     
1 1 1 7  21 6  o 74.5316 2.4117  37.1797      3.00864  24.5006      2.50402  65.0131     118.672     9.00727     118.672     
1 1 1 7  21 7  o 39.1126 4.70686 12.6363      2.67513  5.52369      2.61651  16.0068     147.473     4.70377     147.473     
1 1 1 7  21 8  o 106.355 2.66596 62.5225      4.1101   61.8801      4.59178  105.944     265.293     33.5816     265.293     
1 1 1 7  21 9  o 50.5098 3.46667 16.2724      2.88602  12.3241      2.44279  39.7972     226.735     4.31789     226.735     
1 1 1 7  21 10 o 131.528 3.01037 96.6495      7.11719  94.2157      4.86747  127.765     80.3176     32.1071     80.3176     
1 1 1 7  21 11 o 112.114 2.90572 71.514       5.72426  67.2056      4.21521  99.5539     220.715     9.34814     220.715     
1 1 1 7  21 12 o 95.8311 2.79406 48.5288      4.41286  52.8462      3.75176  86.4217     17.82       11.8177     17.82       
1 1 1 7  21 13 o 43.4405 3.52399 9.96505      2.28886  11.2658      2.33514  28.1508     324.039     10.2204     144.039     
1 1 1 7  21 14 o 30.3918 4.48937 6.22967      2.03373  4.56957      2.03597  13.1333     356.315     13.9892     176.315     
1 1 1 7  21 15 o 112.09  2.60805 74.4044      4.71913  64.4271      4.27545  126.912     177.115     64.7554     177.115     
1 1 1 7  21 16 o 70.2533 3.32463 26.5403      3.37395  28.6131      3.77754  60.1341     267.341     3.2623      267.341     
1 1 1 7  21 17 o 61.237  3.3169  21.6567      3.09196  20.3534      3.1126   55.5305     80.8006     9.93123     80.8005     
1 1 1 7  21 18 o 66.4967 3.13966 23.3896      2.91692  26.0707      3.4739   59.1233     164.203     7.41915     164.203     
1 1 1 7  21 19 o 19.4573 4.93038 3.03892      1.868    -0.219413    2.32503  2.40134     24.6999     18.1346     204.7       
1 1 1 7  21 20 o 43.3043 4.01435 12.1707      2.59196  9.47066      2.59129  24.0259     116.15      22.4416     296.15      
1 1 1 7  21 21 o 54.1693 3.38639 15.0601      2.87683  18.1782      2.66204  52.3805     150.428     16.6608     150.428     
1 1 1 7  21 22 o 62.963  2.96796 22.6061      2.85906  21.8449      2.86253  59.2644     198.131     14.3968     198.131     
1 1 1 7  21 23 f 49.2911 3.74093 14.2622      2.78196  13.6171      2.80587  45.1246     250.382     0           0           
1 1 1 7  21 24 o 38.4982 4.17423 8.35433      2.46329  9.01825      2.31556  36.646      171.122     14.9411     171.122     
1 1 1 7  21 25 o 52.0754 3.56884 16.9419      3.00879  14.1767      2.64706  43.1046     313.593     0.901313    313.593     
1 1 1 7  21 26 o 44.4141 4.32056 11.2016      2.84459  12.0529      2.90752  35.2956     62.42       1.43118     242.42      
1 1 1 7  21 27 o 19.5618 5.00169 2.94726      2.02922  0.926197     1.97871  10.0647     156.086     1.06465     336.086     
1 1 1 7  21 28 o 24.6633 5.24581 3.91798      2.08388  3.63821      2.23164  9.44713     247.029     19.4494     67.0294     
1 1 1 7  21 29 o 11.8564 3.95766 -2.04811     1.8362   -1.55978     1.94012  1.4919      336.927     13.9366     336.927     
1 1 1 7  21 30 o 19.5123 4.96345 3.28974      1.98528  0.422497     2.13136  9.68368     260.362     1.22454     80.3621     
1 1 1 7  21 31 o 62.3443 3.16112 21.3581      2.99304  23.4644      3.03226  67.743      98.1772     33.633      98.1772     
1 1 1 7  21 32 o 17.1953 4.92248 1.53839      1.98511  0.726576     2.09484  0.691837    47.8638     21.317      227.864     
1 1 1 7  21 33 o 26.7409 5.25444 5.31675      2.2345   4.04455      2.2847   17.1486     58.5382     4.45557     238.538     
1 1 1 7  21 34 o 27.7186 5.28663 4.27229      2.342    5.98965      2.32571  16.0683     306.805     9.52306     126.805     
1 1 1 7  21 35 o 62.939  3.27137 21.0412      3.09631  25.7717      3.17983  56.1185     75.2912     9.05316     75.2912     
1 1 1 7  21 36 o 22.4125 4.92672 5.26438      1.98977  0.39424      2.60094  14.3268     87.3815     2.57593     267.382     
1 1 1 7  21 37 o 20.0927 5.10473 1.01583      2.51949  3.63463      1.91916  13.6622     29.7565     2.93229     29.7565     
1 1 1 7  21 38 o 14.4607 4.22439 2.11333      1.75068  -2.167       1.79019  3.1833      346.373     0.0790252   346.373     
1 1 1 7  21 39 o 20.3279 4.87936 4.13722      1.93525  1.21818      2.02711  13.9299     194.273     2.50228     194.273     
1 1 1 7  21 40 o 21.1909 5.3188  2.65325      2.18468  3.89756      2.21595  13.4772     127.062     6.20787     127.062     
1 1 1 7  21 41 o 13.2352 4.23888 -0.998466    1.87627  0.476034     1.89176  2.64866     262.105     0.714691    82.1045     
1 1 1 7  21 42 o 17.9489 5.10926 3.13421      2.24036  0.863622     2.25425  10.2103     268.61      4.60084     88.6102     
1 1 1 7  21 43 o 28.0791 5.88835 7.33186      2.3081   6.16909      3.67089  19.3375     21.5703     4.25812     201.57      
1 1 1 7  21 44 o 16.3262 4.7277  -1.4368      2.03363  3.55561      2.23298  7.50967     217.688     1.91126     217.688     
1 1 1 7  21 45 o 16.7193 4.92593 2.59808      2.16862  0.995367     2.10395  8.66049     91.0927     1.84413     91.0927     
1 1 1 7  21 46 o 25.1145 5.69275 5.74636      2.60575  5.49599      2.38351  16.3433     294.895     3.53158     114.895     
1 1 1 7  21 47 o 14.7482 4.7322  1.96865      2.39263  -1.86065     2.54446  2.0026      331.179     5.49181     151.179     
1 1 1 7  21 48 o 17.637  5.20484 -0.080018    2.36649  4.59372      2.66355  6.28937     140.805     8.59697     320.805     
1 1 1 7  21 49 o 11.6295 3.97013 -1.25507     2.14615  -1.3709      2.13807  1.2201      290.796     2.77578     110.796     
1 1 1 7  21 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  22 0  o 10.4129 4.39235 0.644826     1.24237  0.644826     1.24237  2.42176     270         5.63904     270         
1 1 1 7  22 1  o 173.665 1.9895  165.012      5.32513  165.344      5.31567  168.614     195.634     41.6333     195.634     
1 1 1 7  22 2  o 136.828 2.03437 104.447      4.28802  100.709      4.28381  153.028     90.3008     75.2885     90.3008     
1 1 1 7  22 3  o 62.4693 2.41983 19.7565      2.31036  23.3164      2.31506  39.2132     121.84      23.7094     301.84      
1 1 1 7  22 4  o 64.1452 2.53621 25.4474      2.4965   20.0995      2.46933  61.3605     76.6096     20.3924     76.6096     
1 1 1 7  22 5  o 58.1121 2.83534 18.8489      2.48973  18.565       2.55255  30.2205     176.371     34.5387     356.371     
1 1 1 7  22 6  f 35.1335 4.88491 4.34544      2.40946  10.5602      2.71115  8.93291     345.383     0           0           
1 1 1 7  22 7  o 45.1238 3.73768 12.0736      2.38204  10.9186      2.67655  27.4603     303.654     15.6512     123.654     
1 1 1 7  22 8  o 36.0419 4.01559 9.26409      2.12925  5.79005      2.1034   8.2307      254.727     39.4183     74.7271     
1 1 1 7  22 9  o 57.2214 3.00011 17.4915      2.61867  18.9508      2.62757  55.2138     40.8473     19.5234     40.8474     
1 1 1 7  22 10 o 42.1651 3.58371 10.931       2.26038  9.2004       2.28063  29.7375     19.7098     5.96877     199.71      
1 1 1 7  22 11 o 40.4709 3.64162 9.04265      2.20981  9.53551      2.2254   37.3762     35.4247     16.7372     35.4247     
1 1 1 7  22 12 o 49.7987 3.24267 15.3601      2.44166  12.5244      2.45111  31.0976     211.412     19.192      31.4125     
1 1 1 7  22 13 o 103.3   2.52728 55.755       4.00099  62.3018      4.01847  108.161     341.188     42.4648     341.188     
1 1 1 7  22 14 f 91.0082 3.73878 44.161       5.2784   49.3035      5.13195  73.8461     69.5873     0           0           
1 1 1 7  22 15 f 89.89   3.50859 42.5367      4.65043  48.4231      5.02691  72.7346     59.9918     0           0           
1 1 1 7  22 16 o 27.4392 5.26066 3.10087      2.41721  5.89804      2.29468  13.2911     57.8789     12.6528     237.879     
1 1 1 7  22 17 o 82.5463 2.81197 36.2706      3.68857  39.6909      3.41386  66.0625     95.5519     6.17156     275.552     
1 1 1 7  22 18 o 44.6132 4.1425  10.4308      2.85397  12.6587      2.6392   40.0121     292.888     9.67281     292.888     
1 1 1 7  22 19 o 47.1557 3.75101 13.3385      2.67971  12.1799      2.6684   38.7835     228.679     1.74152     228.679     
1 1 1 7  22 20 o 44.6308 3.69258 13.7311      2.45358  9.35163      2.4366   33.2757     246.301     5.19729     66.3013     
1 1 1 7  22 21 o 120.681 2.47151 78.7668      4.57157  83.1427      4.60282  110.716     280.781     18.4576     280.781     
1 1 1 7  22 22 o 113.081 2.76266 68.9401      4.77824  74.1317      4.82528  92.9419     250.264     4.1065      70.264      
1 1 1 7  22 23 o 20.478  5.20606 2.07145      2.05437  2.45559      2.13266  7.98254     356.959     0.412044    356.959     
1 1 1 7  22 24 o 19.5171 5.16843 3.01229      2.33455  0.685819     1.97261  8.09929     358.119     8.86721     178.119     
1 1 1 7  22 25 o 57.5383 3.7213  19.5812      3.26101  18.7791      3.25904  48.1161     138.005     1.15649     138.005     
1 1 1 7  22 26 o 22.2848 5.44652 2.74986      2.03493  3.19487      2.51331  3.92651     73.4448     26.0587     253.445     
1 1 1 7  22 27 o 87.8719 2.73051 44.7373      3.6931   42.5467      3.67683  88.103      235.002     30.2254     235.002     
1 1 1 7  22 28 o 82.1929 2.83115 36.6202      3.54354  40.2112      3.59757  66.4357     144.908     3.49762     324.908     
1 1 1 7  22 29 o 50.1092 3.62695 16.8271      2.72152  12.844       2.74054  41.5065     293.979     1.92317     293.979     
1 1 1 7  22 30 o 29.6189 5.65628 5.43172      3.01677  6.19098      2.3366   14.8272     106.063     15.5881     286.063     
1 1 1 7  22 31 o 15.4349 4.62918 -1.33434     2.02321  1.58536      2.02902  2.05706     249.491     3.67404     69.4913     
1 1 1 7  22 32 o 81.7522 2.886   36.3741      3.58383  40.6661      3.65391  73.7915     212.199     13.0894     212.199     
1 1 1 7  22 33 o 30.21   5.20437 5.82634      2.39295  6.48189      2.40767  20.6292     145.681     4.59813     325.681     
1 1 1 7  22 34 o 14.8839 4.63044 1.04181      2.09173  -1.10418     2.14033  1.55696     31.0889     0.766377    211.089     
1 1 1 7  22 35 o 38.507  5.21741 7.09961      2.92685  13.6512      2.99482  37.0894     60.6702     14.0984     60.6702     
1 1 1 7  22 36 f 22.4151 5.84863 3.46701      2.71294  3.88308      2.62747  18.1271     219.392     0           0           
1 1 1 7  22 37 o 15.9387 4.87625 1.94788      2.328    -0.927439    2.24258  6.32885     186.56      1.32304     6.5601      
1 1 1 7  22 38 o 14.9017 4.78412 -0.324793    2.36383  0.198602     2.41063  3.73494     240.696     2.04423     60.6962     
1 1 1 7  22 39 o 12.9851 4.35255 -1.90425     2.42807  -1.03158     2.2543   2.59397     4.23885     9.16925     184.239     
1 1 1 7  22 40 o 20.0993 5.16689 4.1777       2.28349  1.87937      1.93383  13.9247     40.8775     0.601858    220.878     
1 1 1 7  22 41 o 12.8565 4.25057 -1.36321     2.10354  -0.256196    2.09828  4.11901     114.098     4.45298     294.098     
1 1 1 7  22 42 o 13.1898 4.31129 0.0558082    1.94064  -0.899947    2.216    3.63823     15.9601     6.74997     195.96      
1 1 1 7  22 43 o 14.3023 4.54057 0.390891     2.02823  0.564611     2.13042  4.40913     257.779     0.403828    77.7786     
1 1 1 7  22 44 o 14.145  4.50312 -0.62085     2.04413  1.30288      2.14034  4.05634     54.035      1.62047     234.035     
1 1 1 7  22 45 o 15.9059 4.84251 1.32621      2.12202  1.58696      2.17325  3.48443     19.7545     10.6802     199.755     
1 1 1 7  22 46 o 14.7916 4.67422 0.334978     2.2976   1.2364       2.09889  2.1504      186.037     3.66273     6.03694     
1 1 1 7  22 47 o 17.6661 5.4112  2.63444      2.4604   3.06428      2.98472  8.01873     80.5877     4.07809     260.588     
1 1 1 7  22 48 o 16.8145 5.24039 1.64372      2.28784  3.35358      2.96511  8.67131     274.596     2.55898     274.596     
1 1 1 7  23 0  o 193.587 2.14057 205.177      6.37759  205.177      6.37759  198.286     270         67.6252     270         
1 1 1 7  23 1  o 39.8746 3.37929 8.50224      2.2061   9.47405      1.79888  35.8394     312.443     11.7689     312.443     
1 1 1 7  23 2  o 57.138  2.57497 18.0842      2.29451  18.1107      2.21223  51.2226     241.058     9.53519     241.058     
1 1 1 7  23 3  o 44.7238 2.90843 11.7333      1.93299  10.6352      2.01778  43.3031     313.161     17.6506     313.161     
1 1 1 7  23 4  o 126.468 2.23525 93.7117      4.3631   82.5932      4.32778  131.323     59.2377     49.9191     59.2377     
1 1 1 7  23 5  o 123.03  2.21466 80.192       4.34123  86.5546      4.02209  116.557     350.704     26.061      350.704     
1 1 1 7  23 6  o 80.8027 2.85464 39.6412      3.45283  33.0899      3.59029  70.6061     280.399     6.70733     280.399     
1 1 1 7  23 7  o 35.182  4.38515 7.3237       2.07723  7.11327      2.48062  29.3107     285.81      7.93842     285.81      
1 1 1 7  23 8  o 60.8115 2.95024 21.0829      2.73717  20.2089      2.75328  64.9919     102.16      31.989      102.16      
1 1 1 7  23 9  o 64.8471 2.9293  25.8601      2.90297  21.1827      2.89348  56.8622     332.824     7.13752     332.823     
1 1 1 7  23 10 o 58.3259 3.63361 20.5674      2.72007  17.993       3.58327  43.9447     194.886     7.67814     14.8858     
1 1 1 7  23 11 o 61.472  3.42982 21.0572      2.8144   21.5835      3.58069  65.8016     10.8212     32.5028     10.8212     
1 1 1 7  23 12 o 28.9738 5.18884 6.13004      2.06488  3.88454      2.70364  20.2422     247.853     3.34587     247.853     
1 1 1 7  23 13 o 48.5421 3.85613 15.8607      2.80725  11.3332      2.78205  42.434      160.594     7.48739     160.594     
1 1 1 7  23 14 o 49.3049 3.76431 12.5212      2.78683  15.393       2.8115   33.5277     335.372     12.8211     155.372     
1 1 1 7  23 15 o 80.31   2.85183 35.9999      3.66526  36.1554      3.35736  58.4574     186.468     16.6698     6.46785     
1 1 1 7  23 16 o 33.1332 4.74799 5.97703      2.34847  7.23452      2.32914  29.0099     337.795     13.8569     337.795     
1 1 1 7  23 17 o 46.1367 3.94105 14.7585      2.68979  10.0875      2.69307  35.655      283.436     2.53316     103.436     
1 1 1 7  23 18 o 17.6434 4.80507 -0.112499    2.02101  2.27197      1.89087  0.914859    343.702     19.0943     163.702     
1 1 1 7  23 19 o 17.4266 4.76065 2.10474      1.86548  0.176137     1.90875  4.18964     353.908     6.91588     173.908     
1 1 1 7  23 20 o 41.9647 3.84288 10.0321      2.42177  10.4687      2.4273   38.818      236.961     11.4415     236.961     
1 1 1 7  23 21 o 18.9911 5.21769 1.1082       2.33272  2.03313      2.09188  8.91812     235.71      2.06876     55.7104     
1 1 1 7  23 22 o 84.8099 3.24912 40.0651      4.49144  41.9095      3.92327  80.6116     165.941     20.5299     165.941     
1 1 1 7  23 23 o 51.8119 3.75811 14.1911      3.10284  17.2126      2.70916  40.7272     208.029     3.10824     28.0288     
1 1 1 7  23 24 o 68.8394 3.57238 29.4868      3.93867  25.6133      3.58499  64.6031     28.73       16.2512     28.73       
1 1 1 7  23 25 o 40.3138 4.83368 12.8808      2.68952  7.53681      2.91921  30.8075     302.899     2.10936     122.899     
1 1 1 7  23 26 o 22.5224 5.23671 2.2676       2.12125  4.04132      2.17132  0.100414    59.2947     33.9923     59.2948     
1 1 1 7  23 27 o 18.2786 5.02555 0.376713     2.08437  2.58108      2.13069  2.39734     303.114     19.3187     123.114     
1 1 1 7  23 28 f 27.7904 5.34151 4.93582      2.33726  5.21536      2.35433  18.593      328.647     0           0           
1 1 1 7  23 29 o 84.1291 2.86944 44.1109      3.69441  37.2679      3.69557  83.1784     278.914     28.8331     278.914     
1 1 1 7  23 30 o 24.5378 5.23838 5.70317      2.28816  2.24022      2.29686  13.9428     6.16861     7.00655     186.169     
1 1 1 7  23 31 o 32.3221 4.97692 9.73929      2.45123  4.46131      2.48157  23.8856     222.031     1.49935     42.0307     
1 1 1 7  23 32 o 29.4769 5.32312 4.95644      2.4264   7.19914      2.47914  19.5023     283.802     5.8302      103.802     
1 1 1 7  23 33 o 25.4021 5.22766 2.19765      2.38288  6.88108      2.40645  18.6399     60.5871     0.00720816  240.586     
1 1 1 7  23 34 o 18.9932 5.23409 -1.97445     2.49425  4.70719      2.68763  11.8945     32.4058     0.422452    32.4059     
1 1 1 7  23 35 o 19.8601 5.63094 2.12038      2.64395  2.98556      2.62098  9.39601     87.7659     8.37968     267.766     
1 1 1 7  23 36 o 17.1829 5.0334  2.91742      2.34862  -0.431122    2.27234  7.70773     351.463     3.4376      171.463     
1 1 1 7  23 37 f 27.2708 5.81455 7.46303      2.70261  4.46731      2.80496  26.9306     61.5259     0           0           
1 1 1 7  23 38 o 12.9883 4.35819 -1.93962     2.39871  -0.870601    2.32016  3.71147     308.746     8.52916     128.746     
1 1 1 7  23 39 o 14.8455 4.80701 -1.67472     2.17876  1.75401      2.76584  2.00546     343.576     0.514911    343.576     
1 1 1 7  23 40 o 19.1836 5.49722 1.30482      2.81134  3.97859      2.52326  11.2879     258.216     2.79632     78.2156     
1 1 1 7  23 41 o 17.4096 5.40115 2.16832      2.47073  1.42112      3.20003  9.15038     230.392     2.02704     230.392     
1 1 1 7  23 42 o 15.6641 4.9244  0.550929     2.32407  1.61567      2.45348  5.12206     192.235     9.94401     12.2353     
1 1 1 7  23 43 o 22.3225 5.5069  4.21897      2.06515  4.57733      2.63478  14.0127     350.454     0.646487    170.454     
1 1 1 7  23 44 o 16.9093 5.16408 1.8748       2.34031  2.01499      2.5757   4.0223      250.19      2.99351     70.1899     
1 1 1 7  23 45 o 26.3741 5.77224 5.39606      2.3843   7.83603      2.80624  21.2666     13.6816     9.02802     13.6816     
1 1 1 7  23 46 o 16.9997 5.14117 2.20707      2.21455  2.87493      2.56252  8.79833     144.12      0.343084    324.12      
1 1 1 7  23 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  24 0  o 219.981 1.98217 265.02       6.71207  265.02       6.71207  215.224     90          60.6082     90          
1 1 1 7  24 1  o 42.4239 2.94714 8.59643      1.87386  11.7701      1.88512  28.4118     262.846     10.3587     82.8464     
1 1 1 7  24 2  o 88.1382 2.27619 43.5875      3.08068  42.3324      3.08695  88.4845     140.245     31.5119     140.245     
1 1 1 7  24 3  o 98.5793 2.40629 51.7989      3.54257  55.8955      3.75304  99.4534     223.158     35.6247     223.158     
1 1 1 7  24 4  o 71.1108 2.61328 26.4346      2.75107  29.8884      2.95326  73.0714     327.143     30.2634     327.143     
1 1 1 7  24 5  o 23.9818 5.30086 4.34514      2.2966   2.44808      2.12356  11.7813     321.515     1.58507     141.515     
1 1 1 7  24 6  o 83.4485 3.14421 40.0351      3.45651  38.1838      4.48877  72.1157     209.887     6.41934     209.887     
1 1 1 7  24 7  o 18.224  4.32916 3.40316      1.72626  -0.952324    1.74246  3.20683     151.666     5.25806     331.666     
1 1 1 7  24 8  o 16.089  4.51437 1.39161      1.69888  0.337601     1.68201  0.421778    153.656     15.6        153.656     
1 1 1 7  24 9  o 56.7258 3.12915 20.216       2.69987  16.1994      2.69482  43.6468     155.955     4.77193     335.955     
1 1 1 7  24 10 o 57.1219 3.15684 21.1686      2.75335  15.8729      2.71234  55.5319     306.351     19.3931     306.351     
1 1 1 7  24 11 o 33.5565 4.64514 4.63918      2.40498  9.06762      2.17711  20.6315     231.634     9.75123     51.6342     
1 1 1 7  24 12 o 93.4181 2.92687 48.2199      4.20612  49.6776      4.19278  78.6397     125.618     2.71605     125.618     
1 1 1 7  24 13 o 27.5119 5.32638 5.06355      2.32593  4.27809      2.32971  16.7112     247.154     4.98292     67.1544     
1 1 1 7  24 14 o 18.2708 4.58646 3.16365      1.8468   -0.556937    1.84833  4.07809     198.097     2.25055     18.0968     
1 1 1 7  24 15 o 14.4549 4.44131 0.212192     1.78888  -0.382691    1.90655  1.86711     287.69      19.3699     287.69      
1 1 1 7  24 16 o 22.2871 5.13818 4.13342      2.12421  1.54842      2.13205  12.0049     253.37      5.54155     73.3695     
1 1 1 7  24 17 o 75.8742 3.4187  35.4351      3.63773  30.441       4.21175  66.9484     99.8518     9.06905     99.8518     
1 1 1 7  24 18 o 22.9821 5.47085 1.00884      2.1732   5.1861       2.71103  10.1052     59.8203     13.7823     239.82      
1 1 1 7  24 19 o 17.6411 5.04486 1.62353      1.95362  0.429271     2.38435  6.57628     264.356     8.47707     84.3557     
1 1 1 7  24 20 o 80.2663 2.8004  37.1138      3.44622  35.8046      3.45397  78.4234     285.434     25.2197     285.434     
1 1 1 7  24 21 o 91.3292 2.99468 50.0738      4.20278  45.0432      4.18841  92.772      256.134     35.7301     256.134     
1 1 1 7  24 22 o 37.8458 4.29312 7.07852      2.35727  10.4654      2.42037  22.5462     357.383     14.5347     177.383     
1 1 1 7  24 23 o 88.7406 2.98441 42.9561      4.26625  47.2105      3.81934  91.9626     150.499     39.0739     150.499     
1 1 1 7  24 24 o 17.2971 5.0041  -1.25735     2.03501  2.75577      2.48862  4.54023     285.17      8.56005     105.17      
1 1 1 7  24 25 o 28.6216 5.13252 6.74956      2.34116  3.95601      2.28279  14.7037     126.868     13.3154     306.868     
1 1 1 7  24 26 o 43.8429 4.0622  13.582       2.64965  9.88084      2.63197  39.6092     60.0835     10.8972     60.0835     
1 1 1 7  24 27 o 51.0817 3.67973 13.5456      2.81834  17.8363      2.83461  46.567      231.725     12.0729     231.725     
1 1 1 7  24 28 o 15.4007 4.84693 -0.485563    2.47208  0.35695      2.19174  3.31159     310.337     4.77739     130.337     
1 1 1 7  24 29 o 45.1405 4.43065 14.0751      3.21978  11.9587      2.77798  48.6363     334.232     27.6539     334.232     
1 1 1 7  24 30 f 20.401  5.68781 2.19405      2.66332  3.03961      2.62272  8.00387     6.91711     0           0           
1 1 1 7  24 31 o 21.1203 5.37183 4.0622       2.27424  1.94591      2.3417   15.7011     58.3563     5.89835     58.3563     
1 1 1 7  24 32 o 24.0966 5.40778 1.85651      2.53401  6.34497      2.47626  18.2874     124.182     2.96486     124.182     
1 1 1 7  24 33 o 23.4354 6.06194 3.80846      2.98808  4.7571       2.77357  14.8274     241.596     2.83131     61.5958     
1 1 1 7  24 34 o 22.5134 5.68857 3.40186      2.53351  4.40217      2.49063  12.2197     187.224     7.37769     7.22435     
1 1 1 7  24 35 o 28.0917 5.65708 7.44679      2.51836  4.97204      2.80553  17.7505     139.741     6.97639     319.741     
1 1 1 7  24 36 o 26.5604 6.03702 5.69478      2.82893  6.31507      2.78647  24.4751     309.284     11.4305     309.284     
1 1 1 7  24 37 o 20.5517 5.6552  4.40489      2.60594  2.27339      2.68904  14.5068     118.296     1.87334     118.296     
1 1 1 7  24 38 o 33.307  5.48956 8.1115       2.70974  9.44735      2.82323  23.9261     17.1183     3.10879     197.118     
1 1 1 7  24 39 o 12.9199 4.36322 0.678585     2.58349  -4.39496     2.35415  1.73409     227.537     11.6082     47.5365     
1 1 1 7  24 40 o 18.1125 5.5009  3.11104      2.66414  1.63861      2.96308  3.63617     263.787     18.3297     83.7869     
1 1 1 7  24 41 o 22.3613 5.8248  4.69924      2.61459  4.677        2.66926  14.2214     273.793     0.374172    273.793     
1 1 1 7  24 42 o 17.0959 5.2539  1.05283      2.42611  2.9279       2.74108  3.96208     345.715     3.14062     165.715     
1 1 1 7  24 43 o 22.278  5.82543 5.1594       2.594    4.63982      2.72338  13.9023     109.086     2.211       109.086     
1 1 1 7  24 44 o 13.1766 4.42769 -0.277689    2.40496  -0.482688    2.48121  2.6742      160.767     3.48861     340.767     
1 1 1 7  24 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  25 0  o 89.5204 2.58052 44.3357      3.54382  44.3357      3.54382  100.752     270         52.6602     270         
1 1 1 7  25 1  o 67.2932 2.57111 23.1771      2.54836  27.4623      2.75964  52.2743     203.66      4.97823     23.66       
1 1 1 7  25 2  o 47.974  2.81171 12.5635      2.05355  13.3363      2.06209  24.7918     27.8028     27.5828     207.803     
1 1 1 7  25 3  o 93.9533 2.3655  51.1405      3.42298  46.9746      3.40663  89.4914     149.076     24.8336     149.076     
1 1 1 7  25 4  o 23.6864 4.13879 4.38352      1.5441   2.35746      1.52612  7.68391     98.6612     18.2421     278.661     
1 1 1 7  25 5  o 14.0298 4.20118 -0.419531    1.38077  0.860754     1.77403  0.0118625   134.967     5.17285     134.969     
1 1 1 7  25 6  o 54.4521 3.67126 20.1535      2.73535  14.1364      3.14411  43.7109     301.818     0.0912679   121.818     
1 1 1 7  25 7  o 49.8215 3.3559  12.9322      2.53514  15.4495      2.53231  50.8937     116.218     23.5998     116.218     
1 1 1 7  25 8  o 34.4161 4.72104 8.40199      2.49094  5.99645      2.33169  30.0683     259.66      9.3381      259.66      
1 1 1 7  25 9  o 53.5973 3.35934 16.9537      2.65872  15.8702      2.81674  49.2077     344.618     12.5397     344.618     
1 1 1 7  25 10 o 56.4686 3.53198 17.0801      3.03575  19.5745      3.02951  53.3556     250.899     15.9006     250.899     
1 1 1 7  25 11 o 47.0741 4.21001 10.571       2.80891  15.7988      3.10192  31.0497     222.953     13.6235     42.9529     
1 1 1 7  25 12 f 13.4988 4.23622 -0.178571    1.7463   -0.583922    1.77225  12.0216     213.616     0           0           
1 1 1 7  25 13 o 55.315  3.39213 17.4364      2.76406  17.7253      2.9551   53.7375     79.5421     18.3515     79.5421     
1 1 1 7  25 14 o 35.532  4.58721 6.23171      2.38256  9.26661      2.42282  19.0549     153.019     18.026      333.019     
1 1 1 7  25 15 o 48.9286 3.64047 13.4163      2.78023  14.5133      2.60531  47.2291     153.753     16.7776     153.753     
1 1 1 7  25 16 o 33.4618 4.56944 6.77522      2.26842  6.98556      2.27002  31.4189     160.495     13.9998     160.495     
1 1 1 7  25 17 o 13.0136 4.08139 0.884871     1.79149  -3.29184     1.81811  0.0671509   358.887     7.86558     178.887     
1 1 1 7  25 18 o 18.0824 4.82094 -0.197189    1.94856  2.94249      2.02041  5.81014     230.462     8.03928     50.462      
1 1 1 7  25 19 o 115.019 2.58404 74.2617      4.5618   75.2236      4.58007  114.274     351.119     40.771      351.119     
1 1 1 7  25 20 f 34.9802 5.387   12.7307      2.89195  3.63743      3.17306  23.7263     342.498     0           0           
1 1 1 7  25 21 o 30.3229 5.53697 5.13039      2.9715   6.96507      2.35406  15.8693     4.97246     13.6848     184.972     
1 1 1 7  25 22 o 15.2828 4.79922 0.0911273    2.47607  -0.314871    2.01869  1.76376     188.182     5.08502     8.18202     
1 1 1 7  25 23 o 33.9722 5.38262 11.5177      2.90074  4.26674      2.87335  26.7583     279.99      3.05086     279.99      
1 1 1 7  25 24 o 32.7896 4.96058 4.0554       2.38559  10.52        2.62068  29.7802     25.752      12.7674     25.752      
1 1 1 7  25 25 o 17.7157 5.31837 0.482635     2.10024  1.95059      2.91226  5.79095     57.5404     1.43469     237.54      
1 1 1 7  25 26 o 14.1079 4.57702 0.424477     2.02792  -3.82897     2.92004  2.06149     7.72641     3.26539     187.726     
1 1 1 7  25 27 o 24.2569 5.4612  6.11657      2.39224  1.66293      2.85734  18.0641     250.448     3.12593     250.448     
1 1 1 7  25 28 o 24.1239 5.52377 4.8668       2.34872  3.58007      2.3894   19.868      285.276     7.81943     285.276     
1 1 1 7  25 29 o 14.2914 4.57557 0.178465     2.18052  -0.7025      2.16315  4.07271     166.791     1.90771     346.791     
1 1 1 7  25 30 o 14.9224 4.6609  1.48239      2.17326  -1.7776      2.27755  4.63232     83.3682     3.22395     263.368     
1 1 1 7  25 31 o 33.3189 5.58086 7.41211      2.98269  9.10365      2.6941   29.298      272.823     9.57284     272.823     
1 1 1 7  25 32 o 15.597  4.98039 0.310952     2.5142   0.237954     2.57434  6.10033     295.682     3.3539      115.682     
1 1 1 7  25 33 o 13.745  4.45526 0.974556     2.21178  -2.52913     2.25968  3.31008     291.935     10.4067     111.935     
1 1 1 7  25 34 o 25.4989 5.78275 6.32012      2.52341  4.4701       2.77872  20.3172     281.355     3.8645      281.355     
1 1 1 7  25 35 o 24.9111 6.00394 6.34085      2.78879  4.60173      2.81351  20.039      272.384     5.41885     272.384     
1 1 1 7  25 36 o 14.0932 4.63132 0.328778     2.41003  -1.0832      2.47382  3.76968     86.0521     8.82504     266.052     
1 1 1 7  25 37 o 24.2106 5.73212 2.63579      3.1299   7.47579      2.68437  12.566      30.4752     10.2023     210.475     
1 1 1 7  25 38 o 21.5882 5.92174 4.59284      3.01922  4.21915      2.62149  13.4954     25.7551     2.21012     205.755     
1 1 1 7  25 39 o 16.2109 5.23535 1.99151      2.93771  0.0527905    2.93888  4.83809     336.106     2.87358     156.106     
1 1 1 7  25 40 f 16.4052 5.10835 1.18275      2.47078  1.97634      2.54904  9.16625     11.9787     0           0           
1 1 1 7  25 41 o 21.9617 5.85906 4.47798      2.61717  5.13671      2.79108  12.8365     324.221     0.458065    144.221     
1 1 1 7  25 42 o 15.9047 5.03764 2.45216      2.57919  1.00636      2.54363  5.81543     146.953     5.68052     326.953     
1 1 1 7  25 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  26 0  o 106.308 2.22873 62.3399      3.64124  62.3399      3.64124  104.677     90          34.626      90          
1 1 1 7  26 1  o 38.9099 3.34902 7.64176      1.90047  9.91561      2.01286  33.0238     76.1184     5.18161     76.1184     
1 1 1 7  26 2  o 57.0129 2.80654 15.7278      2.31931  21.2217      2.5654   54.68       249.527     17.9207     249.527     
1 1 1 7  26 3  o 35.4406 3.59826 7.57209      1.90737  7.1129       1.90584  29.4589     5.79259     4.20873     5.79259     
1 1 1 7  26 4  o 23.1785 4.52265 3.62028      1.78003  2.98216      1.55609  16.4285     191.673     2.20691     191.673     
1 1 1 7  26 5  o 38.5054 6.01359 11.3543      3.66512  8.0264       3.30116  24.8927     303.688     10.4248     123.688     
1 1 1 7  26 6  o 11.6611 3.79705 0.343611     1.77919  -4.14033     1.60374  1.63116     10.9175     13.0661     10.9175     
1 1 1 7  26 7  o 86.6073 2.75868 40.477       3.66838  44.2775      3.66465  71.3418     271.476     1.82601     271.476     
1 1 1 7  26 8  o 19.3916 5.11816 2.25225      2.16658  1.73613      1.93744  6.65769     125.937     12.1777     305.937     
1 1 1 7  26 9  o 22.3633 5.39916 2.20062      2.2784   3.79704      2.26682  9.67593     200.844     4.38041     200.844     
1 1 1 7  26 10 o 19.5555 5.17398 0.731153     2.20128  3.02307      2.17659  7.13489     310.796     0.751766    310.796     
1 1 1 7  26 11 o 15.2071 4.55918 0.607585     1.84353  0.217472     1.86591  0.629606    201.584     15.3579     21.584      
1 1 1 7  26 12 o 48.2349 3.74303 14.3513      2.64398  13.1012      2.80466  46.8424     225.613     18.6819     225.613     
1 1 1 7  26 13 o 25.4331 5.32125 4.74384      2.25239  3.62343      2.23715  17.4942     97.3213     2.94255     97.3212     
1 1 1 7  26 14 f 44.2171 4.07144 11.8379      2.69525  11.6734      2.71717  30.2562     48.5358     0           0           
1 1 1 7  26 15 o 21.0825 4.88642 4.50279      2.04971  0.160553     2.18241  7.77004     259.373     12.2154     79.3729     
1 1 1 7  26 16 o 53.5866 3.74737 12.8801      2.7953   21.6412      3.22852  52.0178     139.755     20.1697     139.755     
1 1 1 7  26 17 o 23.3561 5.33355 4.4247       2.134    2.39241      2.42003  13.795      176.662     0.00103936  356.66      
1 1 1 7  26 18 f 16.7186 4.94898 1.37887      2.04681  0.121681     2.30523  17.8594     114.82      0           0           
1 1 1 7  26 19 o 28.8001 5.46011 5.78316      2.46569  5.3829       2.47892  19.8907     277.861     1.09595     97.8606     
1 1 1 7  26 20 o 22.8962 4.96002 6.14938      2.34612  -0.218237    2.3468   11.5849     237.516     5.2064      237.516     
1 1 1 7  26 21 o 24.9829 5.63127 3.43298      2.7164   5.10382      2.32317  5.26241     253.375     26.4627     73.375      
1 1 1 7  26 22 o 24.0967 5.94365 4.26075      2.66227  4.01648      2.76262  16.464      44.3635     2.44555     44.3635     
1 1 1 7  26 23 f 17.8009 5.24308 1.87742      2.16354  0.699719     2.70931  17.927      210.101     0           0           
1 1 1 7  26 24 o 14.5068 4.59767 -0.252109    2.11536  0.0787492    2.13219  3.6132      226.919     8.39156     46.9186     
1 1 1 7  26 25 o 16.1619 4.88842 1.5756       2.17035  -0.0470081   2.23738  7.14214     255.49      0.138152    255.49      
1 1 1 7  26 26 o 26.846  5.44128 6.93553      2.45718  3.60416      2.51107  23.7114     194.16      10.9699     194.16      
1 1 1 7  26 27 o 14.6451 4.6571  0.450582     2.20498  -0.550199    2.2148   3.52863     148.94      1.99827     328.94      
1 1 1 7  26 28 o 22.8532 5.75432 3.97524      2.58719  4.0367       2.51357  15.2804     315.701     1.42176     315.701     
1 1 1 7  26 29 o 22.0602 5.61757 3.27618      2.43418  4.17741      2.46202  15.7057     99.9908     5.33127     99.9908     
1 1 1 7  26 30 o 34.0483 5.93073 10.9919      3.13146  7.5736       3.14293  33.9212     24.3147     18.2065     24.3147     
1 1 1 7  26 31 o 17.4635 5.36627 -0.0321908   2.74552  2.8257       2.78097  9.91405     74.1836     2.48132     254.184     
1 1 1 7  26 32 o 22.45   5.67985 5.44315      2.55359  2.84454      2.64167  11.9997     150.34      8.33755     330.341     
1 1 1 7  26 33 o 14.003  4.66386 0.0117092    2.42801  -1.9453      2.8792   3.38644     29.9188     0.69164     209.919     
1 1 1 7  26 34 o 15.2936 5.04948 -0.522532    2.48438  0.810502     3.29949  3.97917     260.414     11.2039     80.4138     
1 1 1 7  26 35 o 22.4736 6.18343 4.97037      2.77342  5.05779      3.47048  13.8652     163.371     3.06108     343.371     
1 1 1 7  26 36 o 24.7999 6.2175  6.867        2.89178  5.28537      3.2253   11.8921     124.778     11.7918     304.778     
1 1 1 7  26 37 o 15.2802 4.88723 -2.53459     2.84081  2.4402       2.53216  0.508802    263.022     0.356459    83.0223     
1 1 1 7  26 38 o 14.5423 4.83364 -3.35383     2.33793  2.68803      3.11661  1.19461     99.936      7.85477     279.936     
1 1 1 7  26 39 o 13.9703 4.68702 -0.454584    2.44097  -0.142599    2.96843  1.63236     35.2915     8.83505     215.291     
1 1 1 7  26 40 o 26.2645 5.59635 3.57484      2.78653  10.3104      2.87453  18.2918     93.2105     0.228264    273.211     
1 1 1 7  26 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  27 0  o 18.9108 5.62395 2.92118      1.64778  2.92118      1.64778  0.417537    90.0002     0.0505868   90.0002     
1 1 1 7  27 1  o 40.447  3.3586  11.1326      2.03249  8.08894      2.01884  21.7477     147.848     19.5334     327.848     
1 1 1 7  27 2  o 15.8524 4.46172 0.291026     1.76457  1.51709      1.58988  1.08813     53.2911     1.31954     233.291     
1 1 1 7  27 3  o 12.6604 3.92087 1.01627      1.69516  -2.20412     1.43088  0.452928    84.2057     6.40827     84.2057     
1 1 1 7  27 4  o 56.7417 2.84234 20.569       2.59319  16.3322      2.33917  39.3956     123.705     11.2055     303.705     
1 1 1 7  27 5  o 17.3092 4.81108 2.52085      1.92304  -1.14748     2.3157   1.39922     300.931     18.3944     120.931     
1 1 1 7  27 6  o 65.8214 3.12166 24.6258      3.14903  25.2917      3.14185  55.1011     341.662     5.60353     341.662     
1 1 1 7  27 7  o 63.5695 3.53507 23.274       3.43213  24.0301      3.43233  62.6419     214.822     25.1433     214.822     
1 1 1 7  27 8  o 28.3468 5.49369 5.11794      2.46569  5.4848       2.47422  18.0429     329.135     3.88108     149.135     
1 1 1 7  27 9  o 56.3803 3.33869 19.4223      2.86478  17.6039      2.87214  54.614      107.025     21.1944     107.025     
1 1 1 7  27 10 o 39.7969 4.34811 8.21222      2.49045  11.3017      2.63489  31.801      294.482     3.30262     294.482     
1 1 1 7  27 11 f 34.7816 5.15795 11.3725      2.91987  4.77774      2.53117  21.3378     182.288     0           0           
1 1 1 7  27 12 o 58.1809 3.73963 20.0247      3.61426  20.2037      2.95945  51.3731     140.148     11.4465     140.148     
1 1 1 7  27 13 o 49.1082 4.11217 13.0355      2.88945  16.4049      3.20461  40.0032     42.4715     3.69687     42.4715     
1 1 1 7  27 14 o 24.445  5.27542 2.84033      2.21739  5.07106      2.24183  13.9653     279.99      4.85468     99.9902     
1 1 1 7  27 15 o 52.7655 3.67658 20.8699      2.89014  12.899       2.84334  49.6144     197.394     17.2327     197.394     
1 1 1 7  27 16 o 15.048  4.65276 -0.269869    2.07347  0.626309     2.04428  1.11946     28.6055     1.41357     208.605     
1 1 1 7  27 17 o 47.7986 3.78324 13.5605      2.72916  14.3014      2.74295  40.5297     5.79561     6.88613     5.79561     
1 1 1 7  27 18 o 32.7718 5.15563 8.75479      2.46145  5.89458      2.64783  23.7994     166.793     1.2054      346.793     
1 1 1 7  27 19 o 28.5919 5.52281 7.0417       2.54939  4.64006      2.54382  23.7381     45.7756     7.55657     45.7756     
1 1 1 7  27 20 o 16.7681 4.96833 1.7523       2.18719  0.448001     2.1793   6.68374     197.843     6.24831     17.8434     
1 1 1 7  27 21 f 26.8396 6.17834 6.44194      2.86178  4.73676      3.11699  19.8337     155.405     0           0           
1 1 1 7  27 22 o 35.0121 5.59908 8.37971      2.568    9.36593      3.32912  27.3925     221.557     1.86318     221.557     
1 1 1 7  27 23 o 32.9965 5.21253 6.00432      2.567    9.52917      2.64787  19.214      169.365     11.6905     349.365     
1 1 1 7  27 24 o 17.0023 5.16049 1.37965      2.27312  0.957842     2.59824  4.85033     278.746     11.497      98.7461     
1 1 1 7  27 25 o 59.5858 3.98865 24.4504      3.51464  21.1043      3.67124  60.4128     83.2344     28.2765     83.2344     
1 1 1 7  27 26 o 17.1783 5.14929 1.28139      2.28757  1.69602      2.43406  8.22981     268.298     0.966819    88.2984     
1 1 1 7  27 27 o 22.6784 5.6167  2.50709      2.61987  5.50539      2.5116   17.5271     20.1785     5.36469     20.1785     
1 1 1 7  27 28 o 24.3558 5.75379 5.60797      2.5393   4.17815      2.59703  17.4253     61.4726     0.0383219   61.4706     
1 1 1 7  27 29 o 24.8315 6.18989 5.6062       2.9306   5.5015       2.95803  14.9436     240.807     5.92999     60.8073     
1 1 1 7  27 30 o 17.0886 5.2419  -0.0203816   2.3988   3.11801      2.79759  8.72046     329.616     2.52815     149.616     
1 1 1 7  27 31 o 41.0663 5.05212 13.4907      2.9137   11.6048      3.18919  36.5132     332.463     10.8852     332.463     
1 1 1 7  27 32 o 20.2195 5.66832 2.09888      2.67432  4.83784      2.74648  12.6276     290.755     0.321396    110.755     
1 1 1 7  27 33 o 13.8743 4.57645 -1.7209      2.5011   0.718817     2.40174  4.18043     355.905     2.8246      175.905     
1 1 1 7  27 34 o 15.2273 4.99323 1.11154      2.56041  -0.828107    3.19259  3.34894     271.131     2.31774     91.1312     
1 1 1 7  27 35 o 16.235  5.14279 0.280271     2.61215  2.25662      2.73811  3.43706     35.4356     5.47074     215.436     
1 1 1 7  27 36 o 13.9816 4.68224 -1.03478     2.95407  -0.0916822   2.46536  1.07903     225.154     5.2317      45.1542     
1 1 1 7  27 37 o 14.9714 4.98673 -0.15341     2.94634  1.06022      3.00439  2.84654     187.213     2.31199     7.21269     
1 1 1 7  27 38 o 13.3453 4.51411 0.554435     2.70238  -1.65144     2.55336  3.02238     327.8       2.86264     147.8       
1 1 1 7  27 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  28 0  o 37.2889 3.77314 8.33335      2.03818  8.33335      2.03818  40.6321     270         21.892      270         
1 1 1 7  28 1  o 28.0589 4.41294 6.07897      1.88245  3.9439       1.85809  19.6186     71.0766     0.321854    71.0767     
1 1 1 7  28 2  o 41.905  3.74759 11.9142      2.49633  9.28301      2.22831  39.2097     233.314     15.8285     233.314     
1 1 1 7  28 3  o 59.1719 2.83745 21.8389      2.64333  18.5422      2.49351  50.9151     195.08      9.37306     195.08      
1 1 1 7  28 4  o 71.6419 2.88067 32.5138      3.06041  26.7579      3.22159  65.9943     100.605     19.268      100.605     
1 1 1 7  28 5  o 42.8606 4.94373 13.9723      3.04456  9.76479      3.15168  38.7436     262.287     13.1639     262.287     
1 1 1 7  28 6  o 25.6539 5.74858 3.46481      2.61727  5.57833      2.5913   9.88686     3.07581     16.8488     183.076     
1 1 1 7  28 7  o 18.0863 5.12101 2.86649      2.31586  -0.346074    2.29546  5.33627     144.478     1.39392     324.478     
1 1 1 7  28 8  o 41.4737 4.23085 9.28814      2.58336  12.1977      2.61959  34.4696     195.693     6.14554     195.693     
1 1 1 7  28 9  o 25.6218 5.10898 6.47273      2.25916  2.29365      2.32675  15.7188     254.9       3.83605     74.8997     
1 1 1 7  28 10 o 41.4604 5.18993 8.83026      3.3334   14.184       2.83817  35.3626     243.081     8.24665     243.081     
1 1 1 7  28 11 o 17.2501 4.97249 1.89941      2.13151  0.763909     2.0689   3.66988     24.6246     13.8159     204.625     
1 1 1 7  28 12 o 32.1867 5.08039 6.42988      2.4438   7.58773      2.46999  27.1281     233.227     7.93895     233.227     
1 1 1 7  28 13 o 19.3516 5.3351  1.14419      2.60065  2.95024      2.17692  9.86494     240.404     2.43265     60.4041     
1 1 1 7  28 14 f 25.162  5.17456 6.5538       2.32995  2.2199       2.32774  17.7114     140.068     0           0           
1 1 1 7  28 15 f 21.0191 5.37715 3.47651      2.24546  2.52626      2.25925  13.0996     166.113     0           0           
1 1 1 7  28 16 o 14.6538 4.60833 0.369206     2.07356  -0.181506    2.11517  4.57628     281.6       6.82249     101.6       
1 1 1 7  28 17 o 24.6107 5.77485 4.10546      2.71619  4.95051      2.44848  15.0217     350.668     4.96138     170.668     
1 1 1 7  28 18 o 46.7296 5.19017 14.388       3.93259  15.6556      3.13862  44.5294     128.478     17.759      128.478     
1 1 1 7  28 19 o 17.3847 5.23722 1.56513      2.69666  1.15649      2.2235   7.01217     89.1787     0.178047    89.1787     
1 1 1 7  28 20 o 16.3028 5.106   0.681149     2.8656   0.649288     2.2127   5.6156      94.2318     3.06399     274.232     
1 1 1 7  28 21 o 19.0366 5.51966 1.34749      2.33872  3.29719      2.84134  8.31741     277.803     6.92308     97.8028     
1 1 1 7  28 22 o 18.3295 5.19247 0.49507      2.3226   3.3647       2.35467  8.09458     348.775     6.99091     168.775     
1 1 1 7  28 23 o 18.0205 5.21567 3.21095      2.36475  0.256037     2.51435  6.85227     197.169     10.3605     17.1687     
1 1 1 7  28 24 o 19.0884 5.45944 1.40112      2.72606  3.40972      2.43426  11.8477     132.212     1.00738     312.212     
1 1 1 7  28 25 o 47.3906 4.22111 15.4952      3.01176  14.7313      3.00997  52.5397     10.2075     33.3812     10.2075     
1 1 1 7  28 26 o 12.6608 4.26255 -1.32897     2.27035  -1.44951     2.30063  2.07301     222.466     1.16747     42.4661     
1 1 1 7  28 27 o 24.5589 6.03877 6.33348      2.94863  4.60152      2.66464  17.4576     336.632     1.21918     336.632     
1 1 1 7  28 28 o 20.5475 6.03816 3.10112      3.18644  4.35413      3.1508   13.3691     6.02063     3.85383     6.02063     
1 1 1 7  28 29 o 15.3722 4.86477 2.11485      2.39967  -1.31624     2.60424  1.97301     162.376     0.305089    162.376     
1 1 1 7  28 30 o 24.739  5.80559 7.42022      2.69563  3.68723      2.90954  18.8613     10.0193     4.55016     10.0193     
1 1 1 7  28 31 o 13.8375 4.61378 -1.19668     2.54592  0.0772418    2.5791   2.34126     29.8887     4.31045     209.889     
1 1 1 7  28 32 o 17.992  5.48992 2.15156      2.56004  2.81954      2.97906  5.68312     2.51798     2.32175     182.518     
1 1 1 7  28 33 o 18.7895 5.62542 4.27363      2.73834  1.10737      3.32255  6.4411      204.527     3.48273     24.5272     
1 1 1 7  28 34 o 12.7531 4.40255 -3.42291     2.50571  -0.350631    3.00696  0.463106    135.592     3.14611     315.592     
1 1 1 7  28 35 o 16.5681 5.28667 3.31151      3.03185  1.0315       2.69434  6.42924     308.805     2.33146     128.805     
1 1 1 7  28 36 o 20.8332 5.99826 7.30761      3.20718  2.61         3.33593  9.91847     44.2421     8.47153     224.242     
1 1 1 7  28 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  29 0  o 10.353  4.71963 0.279135     1.74215  0.279135     1.74215  0.858946    270         7.44391     270         
1 1 1 7  29 1  o 19.5412 4.94277 1.59092      2.06477  3.13529      1.84234  10.5168     160.476     2.40184     340.476     
1 1 1 7  29 2  o 14.3342 4.47175 0.0994737    2.07257  0.180289     1.7849   1.43632     218.362     13.4745     38.3618     
1 1 1 7  29 3  o 18.6928 4.81073 1.48834      1.85307  2.78621      1.8108   7.63764     211.196     8.77451     31.1963     
1 1 1 7  29 4  o 43.5101 6.09847 12.0299      3.95855  15.7444      3.91159  35.1313     90.3001     4.3046      90.3001     
1 1 1 7  29 5  f 22.1964 5.42183 5.71874      2.58204  0.487472     2.5596   11.5883     264.362     0           0           
1 1 1 7  29 6  o 19.1688 5.24787 2.35188      2.19268  2.1853       2.22183  10.8891     230.657     0.872415    230.657     
1 1 1 7  29 7  o 26.0106 5.46342 5.81983      2.3617   3.97829      2.4233   13.5347     272.887     10.7352     92.8871     
1 1 1 7  29 8  o 40.907  4.65055 9.23065      2.77696  12.9903      2.81865  34.7959     18.7114     7.53555     18.7114     
1 1 1 7  29 9  o 48.2535 4.18501 15.4286      3.03674  14.3296      3.04643  43.8392     238.267     13.6715     238.267     
1 1 1 7  29 10 o 45.2607 4.2124  13.5454      2.93035  12.7634      2.79952  44.0997     97.8426     19.5689     97.8426     
1 1 1 7  29 11 o 17.7049 4.74299 -1.95684     2.14305  3.9142       2.17365  6.89409     324.667     8.89301     144.667     
1 1 1 7  29 12 o 18.2428 5.16304 2.55878      2.22226  1.20947      2.23825  8.70272     23.1853     4.28384     203.185     
1 1 1 7  29 13 o 16.004  4.84895 1.79625      2.15469  -0.478946    2.27435  4.55391     212.147     0.67774     32.1468     
1 1 1 7  29 14 o 21.4269 5.46003 2.7053       2.30387  3.91775      2.34346  7.46222     31.7443     14.6705     211.744     
1 1 1 7  29 15 o 26.7373 5.56276 5.0878       2.44436  5.71717      2.45016  21.2002     269.809     12.354      269.809     
1 1 1 7  29 16 o 14.347  4.55233 -1.66781     2.14992  1.18897      2.18193  3.16887     35.9761     4.59099     215.976     
1 1 1 7  29 17 o 19.6358 5.57946 0.968588     3.03229  3.68479      2.48257  9.29832     289.742     6.58419     109.742     
1 1 1 7  29 18 o 14.6157 4.61888 -2.14608     2.31828  1.54487      2.21307  4.88797     271.978     4.532       91.9776     
1 1 1 7  29 19 o 19.014  5.4996  2.06947      2.78485  2.80908      2.39593  12.0187     30.0671     2.83177     30.0671     
1 1 1 7  29 20 o 19.3177 5.48094 0.351389     2.3916   4.75006      2.84655  13.06       140.266     5.44596     140.266     
1 1 1 7  29 21 o 36.9192 5.2197  8.73381      2.90723  11.6094      2.80803  28.2834     289.712     1.16108     289.712     
1 1 1 7  29 22 o 17.0332 5.07099 2.9006       2.35887  0.0541625    2.38159  8.85717     354.344     2.03587     174.344     
1 1 1 7  29 23 o 15.5115 4.86311 1.8149       2.36251  -0.436873    2.3644   6.2441      273.088     0.74604     93.0883     
1 1 1 7  29 24 o 33.1611 5.54521 9.72537      2.80278  7.88862      2.79271  21.8796     316.861     5.20435     136.861     
1 1 1 7  29 25 o 21.2497 5.49853 0.638056     2.88589  6.16262      2.6224   13.3698     226.055     0.826506    46.0548     
1 1 1 7  29 26 o 21.3125 6.1259  4.18246      3.20641  4.69864      3.10692  2.08634     48.8848     26.1789     228.885     
1 1 1 7  29 27 o 14.8008 4.94694 0.820854     2.97853  -1.90853     3.04373  4.60038     331.522     3.90341     151.522     
1 1 1 7  29 28 o 15.4769 4.91982 -1.05451     2.62108  2.24282      2.50155  3.11509     0.488101    9.95166     180.488     
1 1 1 7  29 29 o 15.5063 4.99927 0.423352     2.5699   1.1706       2.70861  2.46456     241.505     6.08097     61.5046     
1 1 1 7  29 30 o 14.6156 4.82046 -0.482673    2.81566  0.568837     2.55244  1.1829      140.208     4.62517     320.208     
1 1 1 7  29 31 o 17.8661 5.41076 1.405        2.77684  3.72854      2.68115  6.3616      355.769     5.10693     175.769     
1 1 1 7  29 32 o 20.1998 5.807   3.50359      2.70093  5.45572      2.98244  11.1688     336.011     0.237669    156.011     
1 1 1 7  29 33 o 15.9701 5.22223 2.38574      3.20079  1.06359      2.82672  5.7987      178.269     0.557411    178.269     
1 1 1 7  29 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  30 0  f 22.5962 6.16602 4.28085      2.03418  4.28085      2.03418  13.8529     90          0           0           
1 1 1 7  30 1  o 28.7238 4.75433 3.82099      2.13586  7.77011      2.13792  18.4321     217.454     4.30084     37.4541     
1 1 1 7  30 2  o 22.008  5.48112 4.19343      2.36034  2.91519      2.29733  13.1791     250.92      1.24266     70.9196     
1 1 1 7  30 3  o 18.0509 5.205   -0.934237    2.78251  3.28219      2.3372   5.94088     73.0134     0.890134    73.0135     
1 1 1 7  30 4  o 19.6942 6.0275  2.42135      3.40203  2.01058      3.32163  7.78901     333.535     1.99379     333.535     
1 1 1 7  30 5  o 14.4344 4.60586 -0.378239    2.1659   0.261122     2.18465  2.81214     339.509     6.17051     159.509     
1 1 1 7  30 6  o 31.913  5.36243 9.06481      2.60478  5.92276      2.67096  28.5606     68.9442     13.6589     68.9442     
1 1 1 7  30 7  o 44.4883 4.49789 12.8719      2.99766  13.6015      2.98632  41.0922     188.364     16.0397     188.364     
1 1 1 7  30 8  o 18.1479 5.21041 2.73979      2.33945  1.14708      2.27722  8.04644     268.393     0.224266    268.393     
1 1 1 7  30 9  f 17.772  5.17707 2.29172      2.29216  1.28724      2.31553  9.35146     117.542     0           0           
1 1 1 7  30 10 o 48.7047 4.14006 13.3407      2.99225  17.7612      3.0168   44.0862     149.99      14.6711     149.99      
1 1 1 7  30 11 o 13.2214 4.26523 1.3533       2.12964  -4.31741     2.12278  0.0987787   78.8033     0.0603954   258.803     
1 1 1 7  30 12 o 19.6251 5.23718 0.617441     2.35459  4.41223      2.36293  11.8323     177.306     4.98354     177.306     
1 1 1 7  30 13 o 19.1267 5.33915 0.553541     2.69279  3.90377      2.36434  10.9173     267.537     5.1193      267.537     
1 1 1 7  30 14 o 26.4808 5.72363 5.21589      2.56245  6.17339      2.55894  23.4184     9.1973      11.0731     9.1973      
1 1 1 7  30 15 o 13.9196 4.53664 -0.617261    2.2259   -0.0154038   2.28628  3.88077     131.112     8.58469     311.112     
1 1 1 7  30 16 o 15.29   4.95563 -0.316083    2.27583  0.897272     2.94461  5.31482     111.306     0.578326    111.306     
1 1 1 7  30 17 o 20.3328 5.62496 2.40901      2.58137  4.16701      2.61164  11.0701     106.311     4.75148     286.311     
1 1 1 7  30 18 o 21.097  5.82174 4.23954      2.94486  3.41899      2.51797  11.1697     154.219     5.82387     334.219     
1 1 1 7  30 19 o 18.5046 5.62155 2.80692      2.86407  2.06177      2.91735  10.0281     195.702     0.740101    15.7019     
1 1 1 7  30 20 o 16.9582 5.1973  2.62294      2.40359  0.0496885    2.88956  2.06091     64.114      0.709731    64.114      
1 1 1 7  30 21 o 15.8828 4.98719 0.080995     2.37506  2.01777      2.54443  4.93038     8.232       0.454452    8.23199     
1 1 1 7  30 22 o 16.6017 5.13444 2.04836      2.50471  1.13793      2.50104  7.24763     7.01127     0.13543     7.01132     
1 1 1 7  30 23 o 14.9737 4.79145 -1.02025     2.40833  1.83359      2.45805  3.90075     215.895     0.975213    35.8954     
1 1 1 7  30 24 o 18.9981 5.51328 3.38608      2.57202  2.69436      2.60676  7.38286     237.807     8.03385     57.8067     
1 1 1 7  30 25 o 15.4955 5.05498 -0.294606    2.82606  1.34943      2.82835  2.52204     223.926     4.09409     43.9259     
1 1 1 7  30 26 o 14.0067 4.61059 -2.01098     2.47504  1.19839      2.48517  0.343817    127.165     4.33522     307.165     
1 1 1 7  30 27 o 13.4566 4.51119 -0.172216    2.41329  -1.30055     2.63561  0.363586    351.176     7.55042     171.176     
1 1 1 7  30 28 o 22.696  6.08872 5.40471      2.90581  5.81461      2.95527  13.5532     308.976     1.06829     308.976     
1 1 1 7  30 29 o 14.1534 4.68882 1.68917      2.63011  -1.47948     2.60482  2.63723     88.2935     8.86811     268.293     
1 1 1 7  30 30 o 16.7406 5.20181 3.52756      2.64577  0.919815     2.67006  7.45986     95.7437     4.62458     275.744     
1 1 1 7  30 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  31 0  o 29.9916 5.75376 6.62251      2.29654  6.62251      2.29654  26.8363     90          7.47388     90          
1 1 1 7  31 1  o 15.9566 4.91862 1.16517      2.29475  0.871655     2.24979  6.79156     265.007     1.74535     265.007     
1 1 1 7  31 2  o 37.0764 5.16325 9.45603      2.83982  10.7543      2.84393  33.6995     354.191     13.1746     354.191     
1 1 1 7  31 3  o 25.2967 5.6364  7.94605      2.9002   2.75932      2.30321  22.107      320.051     13.5926     320.051     
1 1 1 7  31 4  o 16.7458 5.24551 1.16109      2.40887  1.15729      2.96457  6.40439     109.563     8.51947     289.563     
1 1 1 7  31 5  o 24.6075 5.86625 5.70927      2.62119  4.51347      2.69886  13.0726     209.149     8.66928     29.1492     
1 1 1 7  31 6  o 31.447  5.77307 7.24864      2.8113   8.70278      2.84936  21.5116     19.1916     2.65598     199.192     
1 1 1 7  31 7  o 15.7612 4.96392 0.996665     2.41704  0.560712     2.456    2.95881     198.861     14.5614     18.8608     
1 1 1 7  31 8  o 18.8218 5.28082 0.561843     2.42918  4.09954      2.45348  10.1661     272.787     4.4849      272.787     
1 1 1 7  31 9  o 15.0952 4.80352 0.321483     2.32574  0.638434     2.36154  5.85245     75.756      1.17364     255.756     
1 1 1 7  31 10 o 15.2694 4.83933 1.01079      2.35004  0.165642     2.37062  5.46577     293.899     0.37722     113.899     
1 1 1 7  31 11 o 20.7385 5.71951 5.1466       2.89907  2.07808      2.47581  13.6393     124.326     3.45211     124.326     
1 1 1 7  31 12 o 25.0976 5.75241 6.69251      2.62082  4.16672      2.61808  20.1898     20.5895     9.1393      20.5895     
1 1 1 7  31 13 o 17.7974 5.21817 0.689879     2.43968  3.35205      2.43495  8.94288     41.6894     1.32895     41.6895     
1 1 1 7  31 14 o 17.9567 5.24973 0.763628     2.43006  3.51188      2.47739  6.95487     7.26668     8.77163     187.267     
1 1 1 7  31 15 o 27.21   5.53238 3.71383      2.68005  8.94254      2.6953   23.3542     212.267     11.5303     212.267     
1 1 1 7  31 16 o 29.6889 5.77512 10.3641      2.91838  5.23134      2.92155  21.1293     184.893     0.409374    184.893     
1 1 1 7  31 17 o 26.2385 5.76213 8.10377      2.73924  4.26545      2.71252  21.8043     210.652     13.4083     210.652     
1 1 1 7  31 18 o 18.5904 5.53996 2.05154      2.96202  3.32578      2.57379  9.4426      185.247     1.6952      5.2473      
1 1 1 7  31 19 o 21.2745 5.96828 4.65121      2.77437  4.06368      3.11473  10.5887     2.02975     5.07936     182.03      
1 1 1 7  31 20 o 14.1944 4.66301 -1.40093     2.52415  0.956092     2.47016  0.94993     225.209     1.9884      45.2087     
1 1 1 7  31 21 f 16.9834 5.19418 0.931493     2.50251  2.75972      2.55085  4.58774     236.201     0           0           
1 1 1 7  31 22 o 13.5575 4.52013 -0.414979    2.41909  -0.647617    2.48734  2.03326     75.41       15.9338     75.41       
1 1 1 7  31 23 o 25.0609 6.30265 4.71263      3.18315  8.55943      3.23209  15.6897     241.367     5.29229     241.367     
1 1 1 7  31 24 o 11.656  4.08673 -0.886971    2.77143  -6.84558     2.72655  1.04696     60.9605     9.85419     60.9605     
1 1 1 7  31 25 o 16.9171 5.15554 -0.1115      2.60347  4.24784      2.62404  6.50547     289.987     3.10076     109.987     
1 1 1 7  31 26 o 17.102  5.29577 3.47474      2.63559  1.56112      2.80825  5.87353     332.486     9.12691     152.486     
1 1 1 7  31 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  31 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  32 0  f 11.1735 5.36984 -0.257034    2.80011  -0.257034    2.80011  4.34443     270         0           0           
1 1 1 7  32 1  o 18.8748 5.56996 2.66773      2.54285  2.89673      2.85243  10.0035     64.4912     2.4797      64.4912     
1 1 1 7  32 2  o 26.973  5.38121 9.6306       2.75155  2.59196      2.71936  16.7987     132.589     3.94376     312.589     
1 1 1 7  32 3  o 13.518  4.55168 -1.01955     2.74948  -1.17165     2.45398  2.8901      310.937     2.64553     130.937     
1 1 1 7  32 4  o 13.9253 4.5814  1.52984      2.44589  -5.11592     2.88047  3.08606     51.9217     1.73948     231.922     
1 1 1 7  32 5  o 11.1328 3.88189 -2.85871     2.42995  -3.67083     2.32577  0.542579    229.333     2.75619     49.3333     
1 1 1 7  32 6  o 23.7099 5.00568 -0.865565    2.72145  8.83291      2.67114  18.4034     159.526     9.60151     159.526     
1 1 1 7  32 7  o 29.1595 5.95206 7.27993      2.83481  7.79232      2.81299  23          311.692     6.3095      311.692     
1 1 1 7  32 8  o 21.6272 5.7937  3.64054      2.68183  4.91503      2.66859  11.6155     123.877     4.90129     303.877     
1 1 1 7  32 9  o 16.6237 5.24911 2.20541      2.93145  0.820399     2.53279  7.07339     272.783     3.13287     92.7828     
1 1 1 7  32 10 o 23.8779 5.36445 1.22002      2.69622  8.22681      2.69424  18.2326     286.699     9.1863      286.699     
1 1 1 7  32 11 o 23.9462 5.80374 1.69466      2.64738  9.02751      3.1835   13.7102     80.7201     4.21714     260.72      
1 1 1 7  32 12 o 11.9956 4.10819 -2.05787     2.35107  -1.80586     2.32944  0.0722346   334.121     0.468915    154.121     
1 1 1 7  32 13 o 16.9207 5.18902 1.22548      2.51116  2.46201      2.52602  2.84603     74.6294     0.412509    254.629     
1 1 1 7  32 14 o 15.27   4.88337 1.92646      2.51461  -0.760078    2.52636  2.33949     238.488     8.03892     58.4883     
1 1 1 7  32 15 o 17.0374 5.26802 1.38229      2.5753   2.39226      2.68223  3.78298     332.753     4.28039     152.753     
1 1 1 7  32 16 o 16.9031 5.19842 3.37437      2.62978  -0.309538    2.70964  2.00628     253.623     2.2634      73.623      
1 1 1 7  32 17 o 22.1546 5.59838 1.04736      3.1644   7.13313      2.70763  10.9332     171.663     0.3115      171.663     
1 1 1 7  32 18 o 25.7799 6.26448 6.95186      2.8107   6.74047      3.28217  16.8792     84.5529     5.40212     84.5529     
1 1 1 7  32 19 o 14.4779 4.73629 -0.880644    2.48816  1.56459      2.56024  1.76167     338.592     3.17091     158.592     
1 1 1 7  32 20 o 15.7382 5.0108  2.32594      2.5787   0.737592     2.5748   2.7713      157.826     11.8605     337.826     
1 1 1 7  32 21 o 18.3546 5.28599 -0.114585    2.64713  5.6692       2.67594  8.41334     183.15      1.76794     183.15      
1 1 1 7  32 22 o 21.2889 5.95978 2.34593      3.15218  7.87119      3.19697  14.1883     93.9971     5.67623     93.9971     
1 1 1 7  32 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  32 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  33 0  o 11.9033 5.69107 0.199667     3.0644   0.199667     3.0644   0.271466    270         2.3081      270         
1 1 1 7  33 1  o 13.8552 4.61295 0.0130748    2.52582  -1.04153     2.56735  0.450936    113.765     6.37455     293.765     
1 1 1 7  33 2  o 26.9134 5.93467 7.95716      2.53001  5.54858      3.61865  17.9655     358.412     4.76989     358.412     
1 1 1 7  33 3  f 14.767  4.90889 1.48575      2.92503  -2.55796     2.93496  2.2285      148.457     0           0           
1 1 1 7  33 4  o 18.4947 5.6581  2.52029      2.82731  3.07063      3.08915  5.12355     168.57      3.73109     348.57      
1 1 1 7  33 5  o 19.4183 5.61924 1.69763      2.75096  4.68892      2.78997  6.33648     260.546     4.77717     80.5459     
1 1 1 7  33 6  o 14.2585 4.72941 -1.98835     2.54731  1.21001      2.75052  0.20672     200.555     2.21527     20.5552     
1 1 1 7  33 7  o 17.9911 5.44876 3.12133      2.7018   1.89986      2.72063  3.82831     174.438     3.00955     354.438     
1 1 1 7  33 8  o 19.4299 5.62187 2.06461      2.70866  4.57079      2.77253  6.35902     76.9983     6.27081     256.998     
1 1 1 7  33 9  o 23.9391 6.25738 3.91983      2.86612  8.23889      3.39212  10.2075     193.634     9.31699     13.634      
1 1 1 7  33 10 o 16.5804 5.10202 -1.08147     2.65254  3.6602       2.62173  3.57546     122.096     4.66936     302.096     
1 1 1 7  33 11 o 14.0662 4.65716 -1.60305     2.56055  1.12421      2.57321  1.16396     42.811      5.0852      222.811     
1 1 1 7  33 12 o 15.6604 4.98959 2.73554      2.61731  -0.578051    2.64557  3.28565     277.108     4.16029     97.1081     
1 1 1 7  33 13 o 17.9386 5.4524  2.9331       2.69563  3.05345      2.73215  6.38365     334.814     0.846723    154.814     
1 1 1 7  33 14 f 40.1801 5.44266 13.6605      3.23082  14.1344      3.25906  21.9826     81.5446     0           0           
1 1 1 7  33 15 o 11.762  4.09121 -2.63825     2.58479  -2.1039      2.60502  0.587964    277.099     2.36264     97.0985     
1 1 1 7  33 16 o 13.3035 4.51438 -2.24542     2.91051  0.411102     2.57064  2.99374     239.596     5.63746     59.5956     
1 1 1 7  33 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  33 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  33 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  34 0  o 8.79243 4.43302 -2.27324     2.65952  -2.27324     2.65952  1.12098     89.9999     4.96994     89.9999     
1 1 1 7  34 1  o 15.3563 5.17894 3.47708      3.75288  -1.5596      2.83934  3.42783     225.525     9.57281     45.5255     
1 1 1 7  34 2  o 16.5496 5.58482 -4.62751     4.66247  5.11953      4.00671  4.86801     209.049     0.192021    29.0485     
1 1 1 7  34 3  o 17.7143 5.74237 4.61763      3.63342  1.70923      3.52105  7.73253     264.174     2.14762     84.1736     
1 1 1 7  34 4  o 14.8333 4.99869 1.72544      3.28507  -0.909461    3.01444  4.17202     35.8629     2.36363     215.863     
1 1 1 7  34 5  o 18.5373 5.58144 5.84123      3.05071  0.834141     2.89419  8.6667      344.323     4.05639     164.323     
1 1 1 7  34 6  o 15.3335 5.01561 1.34882      2.78084  1.13296      2.80548  4.68902     85.008      7.32648     265.008     
1 1 1 7  34 7  o 16.7846 5.39509 1.7773       3.2845   2.7983       2.8884   7.79192     230.587     0.718287    50.587      
1 1 1 7  34 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  34 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  34 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 7  34 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  0  0  o 143.847 2.71542 112.908      6.00519  112.908      6.00519  58.6766     360         14.9688     360         
1 1 1 8  0  1  o 226.826 1.87722 280.258      6.55487  280.258      6.55487  250.401     270         63.6052     270         
1 1 1 8  0  2  o 216.474 1.88541 255.271      6.28277  255.271      6.28277  261.231     0           105.425     0           
1 1 1 8  0  3  o 610.429 1.93374 2029.05      18.1762  2029.05      18.1762  559.312     90          57.7401     270         
1 1 1 8  0  4  o 285.047 1.87789 442.525      8.24124  442.525      8.24124  304.076     1.71488e-06 58.9487     1.71488e-06 
1 1 1 8  0  5  o 120.175 1.96086 78.7617      3.62434  78.7617      3.62434  111.063     90          45.925      90          
1 1 1 8  0  6  o 148.658 2.06541 120.47       4.72396  120.47       4.72396  144.432     360         5.28879     360         
1 1 1 8  0  7  o 732.597 2.27953 2922.58      25.7147  2922.58      25.7147  756.253     270         102.382     270         
1 1 1 8  0  8  o 352.543 2.02006 676.87       10.9648  676.87       10.9648  525.436     360         372.59      360         
1 1 1 8  0  9  o 408.958 2.18251 910.83       13.7426  910.83       13.7426  465.107     90          143.786     90          
1 1 1 8  0  10 o 25.8649 4.62604 4.27265      1.59318  4.27265      1.59318  0.546608    0.00069175  1.21442     0.00069175  
1 1 1 8  0  11 o 76.9713 2.50312 32.4659      2.95254  32.4659      2.95254  22.5273     270         22.7644     90          
1 1 1 8  0  12 o 39.8797 3.01113 8.95333      1.79606  8.95333      1.79606  2.36221     180         6.31949     180         
1 1 1 8  0  13 o 297.96  2.21772 483.592      10.1729  483.592      10.1729  288.756     270         6.02612     270         
1 1 1 8  0  14 o 288.944 2.7014  454.901      12.0149  454.901      12.0149  181.845     180         190.06      8.55242e-06 
1 1 1 8  0  15 o 24.2312 6.74404 4.4007       2.41451  4.4007       2.41451  35.9347     90          76.7328     90          
1 1 1 8  0  16 f 34.5423 3.70597 6.93233      1.837    6.93233      1.837    147.604     360         0           0           
1 1 1 8  0  17 o 220.353 2.21143 264.574      7.50041  264.574      7.50041  272.667     270         125.485     270         
1 1 1 8  0  18 o 8.93485 4.26899 -0.833278    1.7187   -0.833278    1.7187   20.61       180         41.5854     180         
1 1 1 8  0  19 o 14.0573 5.48476 1.4847       1.72666  1.4847       1.72666  22.7422     90          46.6953     90          
1 1 1 8  0  20 o 53.7933 2.72035 16.0032      2.22642  16.0032      2.22642  2.37888     8.44409e-06 24.8184     8.44409e-06 
1 1 1 8  0  21 f 216.286 1.92619 254.884      6.413    254.884      6.413    83.8989     90          0           0           
1 1 1 8  0  22 o 107.656 2.2138  63.289       3.66299  63.289       3.66299  54.6989     180         94.9538     8.74267e-06 
1 1 1 8  0  23 o 49.6743 2.82169 13.704       2.12536  13.704       2.12536  4.58204     270         16.2708     90          
1 1 1 8  0  24 o 176.447 1.93307 169.702      5.24949  169.702      5.24949  167.084     0           0.197479    180         
1 1 1 8  0  25 o 409.184 1.91923 912.132      12.0919  912.132      12.0919  434.01      270         93.7418     270         
1 1 1 8  0  26 o 126.958 1.98321 87.933       3.87291  87.933       3.87291  137.796     180         35.7983     180         
1 1 1 8  0  27 o 319.188 1.91432 555.127      9.40762  555.127      9.40762  361.883     270         121.642     270         
1 1 1 8  0  28 o 276.048 1.92645 415.266      8.18726  415.266      8.18726  269.643     360         19.3901     360         
1 1 1 8  0  29 o 95.9666 2.11713 50.3281      3.12175  50.3281      3.12175  90.9841     270         1.8002      270         
1 1 1 8  0  30 o 240.543 1.93915 315.372      7.18072  315.372      7.18072  239.347     9.50918e-07 27.2225     9.50918e-07 
1 1 1 8  0  31 o 57.8777 2.61374 18.485       2.30744  18.485       2.30744  52.9248     270         12.6616     270         
1 1 1 8  0  32 o 284.876 1.93697 442.321      8.49529  442.321      8.49529  329.865     0           127.012     0           
1 1 1 8  0  33 o 169.026 2.01294 155.833      5.23594  155.833      5.23594  103.112     90          109.247     270         
1 1 1 8  0  34 o 177.623 2.00081 172.09       5.4695   172.09       5.4695   140.825     180         49.2091     8.65137e-06 
1 1 1 8  0  35 o 66.7884 2.75115 24.5918      2.8073   24.5918      2.8073   27.4979     90          69.1548     270         
1 1 1 8  0  36 o 25.6343 5.55662 4.48688      1.91697  4.48688      1.91697  1.32103     180         10.7035     2.23116e-05 
1 1 1 8  0  37 o 39.9482 3.39688 9.10239      2.00961  9.10239      2.00961  27.9541     90          9.72173     270         
1 1 1 8  0  38 o 12.195  5.22843 0.783694     1.81862  0.783694     1.81862  12.6629     180         30.1191     180         
1 1 1 8  0  39 o 44.3796 4.76404 11.5809      3.03372  11.5809      3.03372  46.1955     270         24.9842     270         
1 1 1 8  0  40 o 44.3968 3.57136 11.246       2.36007  11.246       2.36007  49.6081     3.69162e-10 19.9314     3.69162e-10 
1 1 1 8  0  41 o 102.048 2.13321 57.0998      3.34556  57.0998      3.34556  89.4821     270         8.1862      90          
1 1 1 8  0  42 o 25.978  5.86019 4.75516      2.06467  4.75516      2.06467  8.33976     1.40858e-06 30.3523     180         
1 1 1 8  0  43 o 10.3305 4.67296 0.16518      1.66631  0.16518      1.66631  6.89248     90          21.2836     90          
1 1 1 8  0  44 o 44.249  3.02814 11.099       2.01602  11.099       2.01602  43.8598     180         38.7526     180         
1 1 1 8  0  45 o 40.7083 3.23268 9.50549      1.96086  9.50549      1.96086  33.3523     90          7.19232     270         
1 1 1 8  0  46 o 9.61495 4.39956 0.0306014    1.53269  0.0306014    1.53269  2.84316     180         11.224      180         
1 1 1 8  0  47 o 7.91057 3.85286 -1.05315     1.55218  -1.05315     1.55218  1.54909     89.9999     5.60369     89.9999     
1 1 1 8  0  48 o 61.4188 2.59895 21.093       2.43768  21.093       2.43768  71.9012     180         33.2247     180         
1 1 1 8  0  49 o 12.0142 5.10106 0.966422     1.69699  0.966422     1.69699  0.406552    270         11.3329     270         
1 1 1 8  0  50 o 9.74891 4.50309 -0.0290867   1.65935  -0.0290867   1.65935  0.0952488   8.64523e-06 0.40589     8.64523e-06 
1 1 1 8  0  51 o 17.2441 6.05523 2.67657      1.94288  2.67657      1.94288  4.11605     90          20.9197     270         
1 1 1 8  0  52 o 7.342   3.66764 -1.81106     1.6777   -1.81106     1.6777   4.4949      180         13.3215     180         
1 1 1 8  0  53 o 22.0359 6.2189  4.09629      2.04305  4.09629      2.04305  17.06       270         4.7005      90          
1 1 1 8  0  54 o 14.2861 5.65669 1.88516      1.86868  1.88516      1.86868  5.98351     1.53474e-06 10.3429     180         
1 1 1 8  0  55 o 8.9827  4.43315 -1.56004     2.23668  -1.56004     2.23668  1.59411     90          9.77409     90          
1 1 1 8  0  56 o 14.3969 6.1923  1.92958      2.5685   1.92958      2.5685   4.42233     180         1.62208     180         
1 1 1 8  0  57 o 10.6365 4.99434 0.100098     2.17523  0.100098     2.17523  1.86066     270         1.95148     90          
1 1 1 8  0  58 o 15.1249 6.05473 2.40937      2.17125  2.40937      2.17125  4.30473     180         1.62901     180         
1 1 1 8  0  59 o 24.358  6.91023 5.61048      2.51819  5.61048      2.51819  26.9699     270         12.6053     270         
1 1 1 8  0  60 o 9.53582 4.61006 -0.540893    2.12992  -0.540893    2.12992  0.0171273   0.000281858 0.0889487   0.000281858 
1 1 1 8  0  61 o 12.8865 5.57567 1.63583      2.10986  1.63583      2.10986  2.21277     270         4.00329     90          
1 1 1 8  0  62 o 15.8786 6.30342 3.09059      2.32786  3.09059      2.32786  6.5527      360         13.4255     180         
1 1 1 8  1  0  o 150.216 2.04204 123.003      4.71964  123.003      4.71964  58.1928     180         173.003     360         
1 1 1 8  1  1  o 218.537 1.8774  266.716      6.31885  253.509      6.31397  212.275     283.844     24.6887     283.844     
1 1 1 8  1  2  o 240.305 1.94432 308.046      7.42204  320.953      6.94783  209.764     269.972     26.8626     89.9719     
1 1 1 8  1  3  o 150.972 2.06654 120.706      5.11283  127.587      4.45189  152.614     350.838     61.201      350.838     
1 1 1 8  1  4  o 413.595 1.95195 934.813      12.834   928.247      12.0189  405.628     115.722     24.6086     115.722     
1 1 1 8  1  5  o 165.319 1.91082 141.836      4.85663  155.987      4.86432  154.837     200.287     20.9249     200.287     
1 1 1 8  1  6  o 222.934 1.95786 269.804      6.50205  271.479      6.93468  150.67      302.869     113.594     122.869     
1 1 1 8  1  7  o 114.049 1.97004 69.8004      3.46819  71.8702      3.45067  34.7249     7.50133     125.84      187.501     
1 1 1 8  1  8  o 216.251 1.97157 256.825      6.33309  252.505      6.78566  128.714     275.572     145.346     95.5716     
1 1 1 8  1  9  o 231.899 2.17476 291.762      7.76802  293.969      7.764    251.034     296.279     76.6341     296.279     
1 1 1 8  1  10 o 139.263 2.22809 108.689      4.77986  102.597      4.77361  127.027     297.035     21.1422     297.035     
1 1 1 8  1  11 o 204.818 2.42964 218.857      6.88471  238.305      8.4192   228.05      297.631     88.0839     297.631     
1 1 1 8  1  12 o 259.852 2.22884 364.845      8.17811  370.645      9.61207  209.549     287.305     66.0446     107.305     
1 1 1 8  1  13 o 65.753  2.78884 21.7419      2.63438  25.6084      2.99095  12.5818     141.806     93.1864     141.806     
1 1 1 8  1  14 o 124.948 2.68849 91.3216      4.90673  79.1397      5.36343  77.5269     111.055     46.4965     291.055     
1 1 1 8  1  15 o 261.818 2.42135 371.538      9.74774  375.216      9.77652  283.3       259.322     89.2574     259.322     
1 1 1 8  1  16 f 91.553  2.51234 47.0805      3.52619  44.3949      3.5414   134.098     111.774     0           0           
1 1 1 8  1  17 o 208.191 2.26903 228.989      7.26425  243.312      7.27986  188.675     278.576     6.45956     278.576     
1 1 1 8  1  18 o 408.69  2.05308 918.106      12.9264  901.513      12.9145  425.999     84.3244     84.0222     84.3244     
1 1 1 8  1  19 o 452.151 1.99381 1129.45      13.4032  1097.9       14.3304  472.924     131.815     92.9635     131.815     
1 1 1 8  1  20 o 210.24  2.15653 237.369      7.22958  244.278      6.71582  228.674     244.291     76.075      244.291     
1 1 1 8  1  21 o 136.552 2.33078 98.4574      5.24172  104.887      4.49933  146.607     220.837     61.922      220.837     
1 1 1 8  1  22 o 101.383 2.11072 59.797       3.38949  52.4382      3.19308  83.6406     356.968     1.38153     356.968     
1 1 1 8  1  23 o 162.716 1.96253 141.346      4.91057  147.228      4.92297  155.875     247.573     15.8768     247.573     
1 1 1 8  1  24 o 13.5283 3.85773 0.779698     1.24638  -0.0300266   1.26801  22.8491     167.233     48.461      167.233     
1 1 1 8  1  25 o 152.509 1.95747 131.696      4.61085  121.922      4.57929  100.185     89.7098     80.2543     269.71      
1 1 1 8  1  26 o 212.497 1.92232 245.644      6.28677  246.582      6.29373  201.283     250.959     8.53145     250.959     
1 1 1 8  1  27 o 126.246 2.00146 85.6687      3.88394  88.1112      3.89752  84.1502     344.747     59.7928     164.747     
1 1 1 8  1  28 o 66.4929 2.3067  23.8632      2.35457  24.4868      2.35445  35.8828     239.162     31.6229     59.162      
1 1 1 8  1  29 o 129.384 2.0141  93.421       4.01434  89.1595      4.00978  104.483     96.2806     25.5846     276.281     
1 1 1 8  1  30 o 106.128 2.08861 59.8014      3.39728  63.1698      3.42142  101.963     134.327     15.5368     134.327     
1 1 1 8  1  31 o 151.841 2.32547 126.924      5.44918  124.686      5.4254   157.059     113.246     36.8458     113.246     
1 1 1 8  1  32 o 151.913 2.00451 124.323      4.69238  127.423      4.6853   138.851     348.09      0.207064    168.089     
1 1 1 8  1  33 o 107.543 2.13585 66.9969      3.52676  59.4368      3.5305   67.9281     78.3651     58.3335     258.365     
1 1 1 8  1  34 o 91.8038 2.19863 44.8592      3.09365  47.278       3.11252  92.6098     270.521     24.1322     270.521     
1 1 1 8  1  35 o 104.066 2.27241 63.6323      3.63873  54.9656      3.62195  63.8689     58.6502     61.5972     238.65      
1 1 1 8  1  36 f 36.9226 3.66086 8.05179      2.0318   7.24264      2.01274  38.7332     188.532     0           0           
1 1 1 8  1  37 o 117.565 2.17792 75.7215      4.07945  75.5585      3.79443  106.105     105.68      0.678951    285.68      
1 1 1 8  1  38 o 22.4307 5.15138 2.11911      2.17757  3.26709      1.96144  0.438068    204.034     5.97935     204.034     
1 1 1 8  1  39 o 47.0851 3.37923 11.6091      2.39262  13.1692      2.43372  39.1691     219.156     2.38661     219.156     
1 1 1 8  1  40 o 29.3161 4.29558 5.20856      1.87709  4.76816      1.87385  10.099      135.539     23.9416     315.539     
1 1 1 8  1  41 f 16.8943 4.76931 0.0138127    2.05323  1.49112      1.79878  34.9684     162.96      0           0           
1 1 1 8  1  42 o 59.0573 2.68657 20.1104      2.33403  18.6746      2.51264  48.1916     139.184     8.66788     319.184     
1 1 1 8  1  43 f 67.6632 2.62033 25.9326      2.73071  24.9804      2.70852  68.4889     106.241     0           0           
1 1 1 8  1  44 o 42.6736 3.26065 9.76893      2.16162  10.9337      2.03736  35.0712     214.216     3.50607     34.2159     
1 1 1 8  1  45 o 16.9679 4.49858 1.50588      1.59104  1.17361      1.5918   1.87927     245.851     28.0385     245.851     
1 1 1 8  1  46 o 35.1009 3.828   5.93903      1.91028  8.59403      2.06882  16.7445     232.778     27.4159     52.778      
1 1 1 8  1  47 o 56.0156 2.72473 18.4505      2.33502  16.9624      2.33344  50.8695     48.8811     2.33623     48.881      
1 1 1 8  1  48 o 65.2943 2.54501 25.9795      2.5616   22.1306      2.52576  59.1513     95.3382     2.48808     95.3382     
1 1 1 8  1  49 o 14.0259 4.23443 1.01195      1.69705  -0.897012    1.65561  1.89566     53.8103     9.6034      233.81      
1 1 1 8  1  50 o 39.7206 3.47574 9.59739      2.07952  9.00857      2.07942  39.4293     65.8416     11.9642     65.8416     
1 1 1 8  1  51 o 29.3309 4.47214 4.26468      1.96087  6.77323      1.98216  28.3704     275.242     11.2313     275.242     
1 1 1 8  1  52 o 23.908  4.98353 3.41168      1.99862  4.31889      1.94783  19.7665     312.961     3.78401     312.961     
1 1 1 8  1  53 o 54.5049 3.61782 13.9945      2.96601  22.7679      2.77102  56.0753     193.511     17.3026     193.511     
1 1 1 8  1  54 o 15.0978 4.55662 1.19087      1.82169  0.0827222    1.98049  0.909906    298.426     0.195034    298.426     
1 1 1 8  1  55 o 15.0452 4.88258 -0.167977    2.59318  -0.306829    2.55298  5.01099     106.976     0.333464    286.976     
1 1 1 8  1  56 o 17.4315 5.03358 3.2721       2.29223  -0.301001    2.32532  10.8567     9.63597     4.13157     189.636     
1 1 1 8  1  57 o 14.6668 4.68012 0.703012     2.45297  0.0432518    2.00766  4.88142     341.281     11.5469     161.281     
1 1 1 8  1  58 o 16.968  5.03461 1.00105      2.18963  2.57037      2.30159  11.0535     303.658     2.32901     303.658     
1 1 1 8  1  59 o 14.2617 4.50955 0.884058     1.95002  0.140234     2.14095  5.07648     256.915     0.478871    256.915     
1 1 1 8  1  60 o 20.9189 5.31877 3.72676      2.27153  3.73488      2.10299  13.6344     27.0771     0.165487    27.0772     
1 1 1 8  1  61 o 31.0778 5.18985 8.2206       2.30067  7.56879      2.60565  28.3293     294.602     7.89214     294.602     
1 1 1 8  1  62 o 20.5803 5.30442 3.32323      2.2071   4.83063      2.22734  16.5215     137.731     3.89339     137.731     
1 1 1 8  2  0  o 279.217 2.00298 424.634      8.61008  424.634      8.61008  181.319     1.89529e-06 175.099     180         
1 1 1 8  2  1  o 376.066 2.03425 776.898      10.8994  763.465      12.5854  359.104     183.695     4.87017     183.695     
1 1 1 8  2  2  f 361.603 1.94437 702.679      10.449   721.478      11.2001  288.824     274.307     0           0           
1 1 1 8  2  3  o 137.395 1.93195 102.881      4.08354  102.714      4.09141  16.4821     20.931      214.589     200.931     
1 1 1 8  2  4  o 196.532 1.89814 220.196      5.75223  200.695      5.7286   219.049     212.515     90.2673     212.515     
1 1 1 8  2  5  o 361.831 1.88526 714.118      10.5076  711.741      10.501   342.414     149.947     0.615814    329.946     
1 1 1 8  2  6  o 166.536 1.91805 153.905      4.91502  148.177      4.92113  188.533     148.904     104.723     148.904     
1 1 1 8  2  7  o 247.102 1.88769 327.522      7.17667  337.512      7.18797  242.577     80.0802     26.8684     80.0802     
1 1 1 8  2  8  o 428.122 2.107   996.343      13.3596  999.947      14.4038  380.672     269.841     53.4865     89.8414     
1 1 1 8  2  9  o 284.011 2.27586 452.485      9.52266  426.292      10.3366  276.306     344.733     20.5145     344.733     
1 1 1 8  2  10 o 289.616 2.37885 462.029      10.6118  451.638      10.6055  304.334     277.502     66.7808     277.502     
1 1 1 8  2  11 o 82.4294 2.74025 30.6992      3.40284  44.092       3.45614  16.4543     326         164.291     326         
1 1 1 8  2  12 o 218.346 2.06483 268.194      6.95069  251.209      6.92951  128.515     62.444      147.767     242.444     
1 1 1 8  2  13 o 217.582 1.99474 253.766      6.44271  261.901      6.92181  142.033     87.8742     116.939     267.874     
1 1 1 8  2  14 o 367.059 2.29011 723.28       12.3747  744.432      13.5036  367.457     153.409     45.6729     153.409     
1 1 1 8  2  15 o 280.858 2.54973 434.965      10.4449  424.435      11.5663  250.936     190.251     17.9652     10.2506     
1 1 1 8  2  16 o 159.028 2.61755 141.43       6.15533  134.16       6.63937  128.692     336.646     7.29976     156.646     
1 1 1 8  2  17 o 184.604 2.41068 182.162      7.16087  189.164      6.51561  127.991     149.069     73.0551     329.069     
1 1 1 8  2  18 o 114.222 2.22279 72.5049      3.90987  69.7608      3.90108  62.8429     43.4436     25.0908     43.4436     
1 1 1 8  2  19 o 145.182 1.98715 108.255      4.42379  121.569      4.45166  110.96      33.327      29.9063     213.327     
1 1 1 8  2  20 o 220.758 1.92306 257.555      6.52421  273.519      6.54665  168.973     159.078     70.8643     339.078     
1 1 1 8  2  21 o 298.892 2.04415 475.9        9.39498  497.698      9.41883  264.526     100.505     31.6407     280.505     
1 1 1 8  2  22 o 51.0456 2.89049 15.4237      2.38568  13.2203      2.12303  37.0535     325.828     151.32      325.828     
1 1 1 8  2  23 o 182.921 1.93824 179.578      5.45962  185.095      5.45859  173.901     175.567     11.6599     175.567     
1 1 1 8  2  24 o 357.324 1.98003 695.353      11.245   696.309      10.5325  382.418     266.632     93.3573     266.632     
1 1 1 8  2  25 o 94.4198 2.24401 45.2395      3.42309  52.2043      3.04101  40.0313     170.366     86.9754     350.366     
1 1 1 8  2  26 o 118.919 2.0823  76.784       3.92159  77.4561      3.69692  102.949     290.99      5.13058     110.99      
1 1 1 8  2  27 o 173.905 2.01662 167.13       5.59412  162.634      5.20412  140.973     318.589     37.8353     138.589     
1 1 1 8  2  28 o 149.678 1.98097 126.267      4.57485  118.088      4.55376  107.709     345.041     58.4689     165.041     
1 1 1 8  2  29 o 37.2263 3.1347  7.34333      1.76114  8.02158      1.75871  0.0175393   343.391     32.8224     163.387     
1 1 1 8  2  30 o 89.5997 2.15741 44.1561      2.98346  43.5242      2.96118  93.9129     294.681     35.5268     294.681     
1 1 1 8  2  31 o 258.972 1.93739 373.488      7.73313  357.999      7.71682  257.598     51.3742     34.2459     51.3742     
1 1 1 8  2  32 o 21.7218 4.18932 4.50724      1.65936  0.468434     1.63581  2.22666     105.929     6.53828     105.929     
1 1 1 8  2  33 o 164.219 2.00074 145.343      5.05633  148.908      5.06205  142.552     343.895     16.1503     163.895     
1 1 1 8  2  34 o 185.17  2.10988 183.574      6.01567  190.761      6.01493  191.831     243.535     43.3465     243.535     
1 1 1 8  2  35 o 85.2717 2.36859 37.606       3.09251  42.0546      3.10916  97.5575     186.075     46.5592     186.075     
1 1 1 8  2  36 o 83.7784 2.5011  35.5269      3.05531  41.5393      3.38608  77.42       201.809     6.65176     201.809     
1 1 1 8  2  37 o 92.0672 2.78458 45.1554      3.94793  48.0292      3.92573  76.9973     112.055     10.4862     292.055     
1 1 1 8  2  38 o 49.8328 3.49975 14.5056      2.78205  13.1946      2.5197   34.9479     216.106     12.0912     36.1063     
1 1 1 8  2  39 o 103.952 2.27871 56.8586      3.62952  61.8201      3.65301  105.843     292.942     24.6907     292.942     
1 1 1 8  2  40 o 29.0641 4.53873 4.77443      1.90999  5.09332      2.04444  3.28319     207.808     39.5603     27.8083     
1 1 1 8  2  41 o 68.4134 2.82688 25.1097      2.9422   26.8653      2.98671  70.7603     192.592     20.0962     192.592     
1 1 1 8  2  42 o 20.7893 4.73712 2.0194       1.75558  2.83563      1.72101  4.12857     192.153     21.8168     12.153      
1 1 1 8  2  43 o 60.675  2.62933 20.0611      2.32906  20.9263      2.55898  50.8725     327.851     6.09497     147.851     
1 1 1 8  2  44 o 34.1909 4.02555 7.66306      2.03766  6.04896      2.03434  12.4334     96.2374     33.8926     276.237     
1 1 1 8  2  45 o 52.5587 3.03923 14.9364      2.60484  16.2765      2.2307   48.7752     260.594     5.44044     260.594     
1 1 1 8  2  46 o 22.1832 4.55302 1.97044      1.68845  3.91071      1.71304  12.3794     16.2148     9.62583     196.215     
1 1 1 8  2  47 o 65.5975 2.53796 24.592       2.539    23.7116      2.56741  74.2953     263.826     32.2554     263.826     
1 1 1 8  2  48 o 67.6541 2.49131 25.5434      2.59199  25.9663      2.58075  76.1102     123.081     32.8062     123.081     
1 1 1 8  2  49 o 49.9393 2.94692 13.3815      2.22654  15.277       2.25783  62.4439     113.699     40.3103     113.699     
1 1 1 8  2  50 o 56.5664 2.77411 19.7609      2.39766  16.8651      2.39233  53.2709     331.618     7.78628     331.618     
1 1 1 8  2  51 o 54.5925 2.89385 17.292       2.43596  17.2084      2.394    60.6183     336.02      26.8183     336.02      
1 1 1 8  2  52 o 24.6516 5.01924 5.37839      2.17093  2.96582      1.93554  15.3877     226.083     8.86901     46.0826     
1 1 1 8  2  53 o 51.5585 3.06325 16.0483      2.42464  15.5837      2.39446  53.1683     236.913     16.7628     236.913     
1 1 1 8  2  54 o 12.8483 4.21063 -0.902206    1.97384  -0.768837    1.99009  3.44894     25.3321     6.20845     205.332     
1 1 1 8  2  55 o 34.2405 4.84647 8.14915      2.56331  8.17766      2.3663   33.8471     350.894     11.0979     350.894     
1 1 1 8  2  56 o 13.9015 4.49533 0.0426962    2.0624   -0.471125    2.26209  3.83971     96.811      1.18386     96.811      
1 1 1 8  2  57 f 29.9106 5.29087 5.48022      2.31854  8.48618      2.59877  21.6682     277.277     0           0           
1 1 1 8  2  58 o 20.4142 5.40136 3.27838      2.19353  3.58942      2.38263  16.8965     124.941     7.50052     124.941     
1 1 1 8  2  59 o 34.4494 4.96722 10.0101      2.30381  8.06059      2.75885  38.6097     33.6045     21.9546     33.6045     
1 1 1 8  2  60 o 13.3417 4.32028 1.7192       2.17573  -3.58271     2.185    1.70595     104.758     5.14894     284.758     
1 1 1 8  2  61 o 12.9206 4.25945 -1.61503     2.32616  0.575338     1.97488  2.20615     219.267     4.77186     39.2671     
1 1 1 8  2  62 f 14.7658 4.59048 2.30795      2.09323  -0.00912718  2.06336  11.0075     81.3988     0           0           
1 1 1 8  3  0  o 193.633 1.89406 204.268      5.64516  204.268      5.64516  163.966     1.374e-06   44.5369     180         
1 1 1 8  3  1  o 499.245 1.90389 1346.3       14.6302  1368.27      14.6427  497.276     162.291     42.4427     162.291     
1 1 1 8  3  2  o 224.561 1.95194 275.209      6.97888  274.005      6.5137   275.8       11.2507     150.644     11.2507     
1 1 1 8  3  3  f 739.162 2.04942 2951.93      24.0878  2998.76      22.5269  704.798     26.5852     0           0           
1 1 1 8  3  4  o 173.548 2.05501 158.579      5.09845  169.55       5.87913  176.726     249.13      50.3191     249.13      
1 1 1 8  3  5  o 118.391 2.40946 73.6767      3.59372  79.1239      5.10231  28.6228     164.994     148.771     344.994     
1 1 1 8  3  6  o 628.98  2.01176 2131.1       18.8133  2177.77      20.1467  707.081     282.165     212.709     282.165     
1 1 1 8  3  7  o 141.237 2.18354 110.264      4.56974  107.016      4.9159   61.0201     274.696     130.248     94.6956     
1 1 1 8  3  8  f 160.637 2.23157 148.663      5.53012  132.624      5.49831  221.333     100.581     0           0           
1 1 1 8  3  9  o 416.318 2.39657 946.541      15.3832  941.372      15.3448  430.447     310.552     71.3124     310.552     
1 1 1 8  3  10 o 322.986 2.38746 551.92       11.8688  584.636      11.8727  399.625     6.55205     197.225     6.55205     
1 1 1 8  3  11 o 192.262 2.44337 219.687      7.23328  183.768      7.19476  180.734     343.569     16.3318     343.569     
1 1 1 8  3  12 o 138.887 2.00005 102.842      4.26936  107.277      4.28457  62.8515     49.8329     117.226     229.833     
1 1 1 8  3  13 o 302.45  2.05732 507.686      10.2564  488.765      8.88118  350.152     341.374     142.051     341.374     
1 1 1 8  3  14 o 295.027 2.40543 474.238      10.9286  473.955      10.9275  348.369     332.588     156.439     332.588     
1 1 1 8  3  15 o 346.273 2.41194 659.427      12.8682  646.858      12.853   412.231     79.0615     184.082     79.0615     
1 1 1 8  3  16 o 68.5403 2.85556 20.6079      3.01618  31.3268      2.8405   7.22955     181.779     53.7097     181.779     
1 1 1 8  3  17 o 233.315 1.9242  283.373      6.89241  309.899      6.92511  238.237     115.34      55.4086     115.34      
1 1 1 8  3  18 f 91.2733 2.33829 39.9281      3.25428  51.3227      3.27035  203.175     59.116      0           0           
1 1 1 8  3  19 f 157.055 2.19491 127.464      5.11129  141.486      5.5078   207.958     105.67      0           0           
1 1 1 8  3  20 o 155.022 2.22983 128.794      4.68363  133.11       5.91035  105.848     208.052     68.8347     28.0519     
1 1 1 8  3  21 o 193.547 2.00141 202.474      5.76646  205.733      6.15995  151.309     261.948     54.528      81.9476     
1 1 1 8  3  22 o 190.279 2.08354 190.132      6.09066  204.603      6.11393  228.02      338.54      111.55      338.54      
1 1 1 8  3  23 o 187.402 2.08064 194.709      6.0037   188.124      6.00356  177.102     257.268     9.03075     257.268     
1 1 1 8  3  24 o 113.67  2.11338 65.1899      3.79384  75.9278      3.56243  110.19      89.3225     22.0519     89.3225     
1 1 1 8  3  25 o 39.1337 2.88706 9.1274       1.70805  7.79523      1.71023  9.46003     62.4142     58.9933     62.4142     
1 1 1 8  3  26 o 199.189 1.93381 214.619      5.93356  217.919      5.92924  201.143     255.278     35.2926     255.278     
1 1 1 8  3  27 o 109.876 2.04601 66.4519      3.45558  65.2836      3.46168  116.18      29.1473     47.2557     29.1473     
1 1 1 8  3  28 o 136.104 2.07249 96.9009      4.47254  105.202      4.19317  143.983     324.251     44.673      324.251     
1 1 1 8  3  29 o 133.885 2.15417 102.497      4.73888  93.147       4.14443  91.3509     124.202     61.8096     304.202     
1 1 1 8  3  30 o 128.276 2.08686 91.9764      4.24059  87.5388      4.00435  138.568     149.814     46.2585     149.814     
1 1 1 8  3  31 o 179.354 1.98012 174.129      5.4657   176.724      5.47174  177.964     112.652     26.1942     112.652     
1 1 1 8  3  32 o 76.5106 2.32703 28.9234      2.71163  35.2525      2.74102  66.2238     308.405     3.94104     308.405     
1 1 1 8  3  33 o 140.816 2.04342 107.831      4.43716  108.553      4.42468  123.324     23.3203     9.99308     203.32      
1 1 1 8  3  34 o 54.4315 2.85351 16.1395      2.35464  16.4549      2.39493  39.1317     222.396     9.52111     42.3959     
1 1 1 8  3  35 o 155.549 2.14693 130.488      5.15266  133.843      5.13149  181.439     271.009     79.0716     271.009     
1 1 1 8  3  36 o 102.509 2.48041 57.0783      3.90127  58.0731      3.91787  99.243      281.218     14.6088     281.218     
1 1 1 8  3  37 o 17.7804 4.91704 1.445        1.99514  0.706149     1.92719  6.22474     183.37      19.0776     183.37      
1 1 1 8  3  38 o 27.8726 4.20208 4.77981      1.72847  4.17899      1.76901  8.53793     169.692     58.8168     169.692     
1 1 1 8  3  39 o 31.5388 4.44132 5.15399      2.06626  6.37651      2.09513  14.3279     172.933     15.9569     352.934     
1 1 1 8  3  40 o 79.9382 2.6719  34.2449      3.27955  36.3794      3.27736  86.9958     262.289     32.0982     262.289     
1 1 1 8  3  41 o 16.977  4.3753  0.419565     1.53732  2.08107      1.557    2.95359     222.843     27.7984     222.843     
1 1 1 8  3  42 o 13.8229 4.18079 -0.566841    1.62234  0.502113     1.5871   0.360427    180.144     4.5761      180.144     
1 1 1 8  3  43 o 37.908  3.56331 9.9055       1.92421  6.68908      2.02967  35.7864     189.386     8.75449     189.386     
1 1 1 8  3  44 o 22.5987 4.57963 3.88938      1.67096  2.11836      1.78966  9.14441     274.683     15.7447     94.6829     
1 1 1 8  3  45 o 44.9893 3.27382 11.2681      2.20914  11.7985      2.26226  35.4247     352.788     7.50474     172.788     
1 1 1 8  3  46 o 78.9159 2.35457 31.6778      2.81391  37.8346      2.88398  76.4918     235.687     11.9091     235.687     
1 1 1 8  3  47 o 44.9887 3.10468 9.80202      2.08551  13.5152      2.11398  39.1832     269.712     0.433363    89.7116     
1 1 1 8  3  48 o 17.557  4.63022 1.82075      1.689    1.33797      1.67817  6.38212     330.892     11.2645     150.892     
1 1 1 8  3  49 o 21.6981 4.78527 2.28795      1.77979  3.56652      1.81471  14.7373     212.924     0.604298    212.924     
1 1 1 8  3  50 o 16.155  4.55759 1.35143      1.71973  0.820516     1.7081   4.83479     137.142     8.41021     317.142     
1 1 1 8  3  51 o 32.2281 4.32931 5.3172       2.04013  7.882        2.08488  31.9535     271.515     11.9802     271.515     
1 1 1 8  3  52 o 37.1899 3.90119 9.03534      2.18291  8.16154      2.14669  32.6429     284.564     2.09519     284.564     
1 1 1 8  3  53 o 13.5292 4.27208 -0.594117    1.74685  0.384344     1.89394  5.44726     193.664     5.37189     13.6636     
1 1 1 8  3  54 o 27.3467 5.86728 6.38515      2.55746  5.11293      2.91732  24.346      341.766     5.66742     341.766     
1 1 1 8  3  55 o 14.5716 4.54451 0.278573     1.97179  0.513815     2.01065  6.00269     157.659     1.03245     337.659     
1 1 1 8  3  56 o 14.7709 4.7002  0.552681     2.37785  0.0756635    2.09901  8.96056     36.9923     0.6874      216.992     
1 1 1 8  3  57 o 25.7788 5.66794 6.27031      2.33207  4.80882      2.84623  25.0753     38.486      10.5528     38.486      
1 1 1 8  3  58 o 26.3459 5.40706 7.66829      2.51599  3.92521      2.35103  22.0309     355.113     2.03001     355.113     
1 1 1 8  3  59 o 21.6894 5.09655 1.16272      2.40255  6.16591      2.2751   18.2721     243.512     6.83399     243.512     
1 1 1 8  3  60 o 15.0664 4.69071 1.02855      2.00111  1.01146      2.22738  2.35405     353.448     1.92646     173.448     
1 1 1 8  3  61 o 14.6969 4.66068 1.26782      2.20199  0.690797     2.17322  4.09888     319.408     1.41293     139.408     
1 1 1 8  3  62 o 14.2221 4.51425 1.66809      2.11438  0.0830873    2.03763  7.42659     306.407     0.0887591   126.406     
1 1 1 8  4  0  o 293.362 2.17419 468.765      9.81936  468.765      9.81936  245.634     180         72.1799     8.36129e-06 
1 1 1 8  4  1  o 373.265 1.94755 734.644      10.8035  783.161      11.5878  504.085     250.541     310.202     250.541     
1 1 1 8  4  2  o 238.191 1.95028 315.399      7.39784  302.574      6.90846  165.463     280.747     113.384     100.747     
1 1 1 8  4  3  o 444.727 1.8976  1037.52      12.9694  1117.26      13.0094  485.759     196.877     127.631     196.877     
1 1 1 8  4  4  o 122.579 1.97639 82.3559      3.73572  81.291       3.72538  102.53      189.783     18.2423     189.783     
1 1 1 8  4  5  o 381.557 2.02242 782.335      11.8815  803.351      11.8826  267.236     189.605     190.132     9.60476     
1 1 1 8  4  6  o 331.53  2.17744 597.222      11.1195  599.915      11.113   231.853     314.208     163.592     134.208     
1 1 1 8  4  7  o 298.874 2.1818  480.416      10.0395  492.544      10.0422  274.243     263.027     12.798      83.0274     
1 1 1 8  4  8  o 218.682 2.19624 265.323      7.39393  255.598      7.39566  229.277     351.243     59.5511     351.243     
1 1 1 8  4  9  o 160.185 2.62999 135.885      6.09983  143.688      6.86963  91.8432     166.849     104.636     346.849     
1 1 1 8  4  10 o 311.965 2.4328  518.582      10.4536  541.673      12.8455  265.225     62.2222     55.1549     242.222     
1 1 1 8  4  11 o 202.543 2.06584 231.144      6.44699  215.814      6.4342   166.316     323.713     34.6994     143.713     
1 1 1 8  4  12 f 396.515 2.0391  855.728      12.4474  856.759      12.4537  363.236     113.438     0           0           
1 1 1 8  4  13 o 222.985 2.33862 263.597      8.33174  278.14       7.69441  278.376     314.284     178.383     314.284     
1 1 1 8  4  14 o 328.026 2.38663 598.79       12.0607  573.54       12.0462  301.444     158.534     8.00777     338.534     
1 1 1 8  4  15 o 110.057 2.34515 61.546       3.93514  70.6904      3.99416  19.3466     195.818     135.168     15.8182     
1 1 1 8  4  16 o 56.247  2.64238 19.6255      2.27437  15.147       2.24954  35.9171     329.789     120.848     329.789     
1 1 1 8  4  17 o 300.553 1.96904 477.129      8.78479  507.157      9.44321  290.284     248.535     22.8058     248.535     
1 1 1 8  4  18 o 92.0358 2.13084 43.8458      3.0014   48.6051      3.02541  37.9516     350.183     60.6815     170.183     
1 1 1 8  4  19 o 213.362 2.16329 251.471      6.79782  244.602      7.39541  244.518     215.348     102.85      215.348     
1 1 1 8  4  20 o 160.719 2.10155 131.615      5.1774   150.17       5.20995  118.518     317.473     55.0545     137.473     
1 1 1 8  4  21 o 197.176 2.06996 205.048      6.27307  218.762      6.29257  201.238     285.901     41.1841     285.901     
1 1 1 8  4  22 o 74.7649 2.22162 26.4875      2.52088  34.8404      2.55034  29.9577     315.944     60.583      135.944     
1 1 1 8  4  23 o 89.5767 2.42956 38.6369      3.31486  49.318       3.34014  85.6795     224.175     41.7339     224.175     
1 1 1 8  4  24 o 136.859 2.31108 98.3438      4.4695   105.977      5.26368  115.485     303.976     16.5536     123.976     
1 1 1 8  4  25 o 81.5464 2.46493 39.3646      2.94657  33.4284      3.1885   66.4485     107.16      4.63053     107.16      
1 1 1 8  4  26 o 146.105 1.98212 118.021      4.45978  114.725      4.45854  136.166     342.211     8.55996     342.211     
1 1 1 8  4  27 o 28.6479 3.76273 5.73654      1.58257  3.62577      1.59219  23.1248     296.724     68.793      296.724     
1 1 1 8  4  28 o 100.438 2.07992 55.5359      3.20663  54.5792      3.21987  73.4738     272.757     30.2979     92.7574     
1 1 1 8  4  29 o 148.115 1.98584 114.201      4.52291  125.173      4.52886  136.918     17.4916     3.42924     17.4916     
1 1 1 8  4  30 f 166.553 2.00398 151.343      5.12476  151.211      5.15457  160.84      195.815     0           0           
1 1 1 8  4  31 o 85.042  2.2472  38.0601      2.94182  40.9986      2.92989  41.2736     331.337     68.3162     151.337     
1 1 1 8  4  32 o 105.101 2.22831 59.1679      3.70292  61.5215      3.49338  93.9761     94.2038     1.37715     94.2038     
1 1 1 8  4  33 o 72.8933 2.70966 28.6628      3.21102  29.5844      2.83118  65.7621     221.474     8.86513     221.473     
1 1 1 8  4  34 o 18.5948 4.52229 2.8657       1.72367  0.0832286    1.69963  9.88934     108.747     30.0345     108.747     
1 1 1 8  4  35 o 197.313 2.13288 208.614      6.46198  216.798      6.49794  196.509     303.736     30.4917     303.736     
1 1 1 8  4  36 o 62.3761 2.98603 20.9653      2.84051  21.9365      2.86124  57.761      174.917     11.5913     174.917     
1 1 1 8  4  37 o 65.6827 2.83292 21.2471      2.8476   26.4497      2.82541  63.305      316.444     15.9689     316.444     
1 1 1 8  4  38 o 92.1342 2.37072 44.1348      3.35655  49.1444      3.35141  71.4739     272.41      22.3859     92.4103     
1 1 1 8  4  39 o 67.7456 2.70442 25.9618      2.92428  24.739       2.69485  74.4995     296.491     32.241      296.491     
1 1 1 8  4  40 o 21.5599 4.62979 3.39627      1.70643  1.8476       1.72057  1.18521     245.162     26.4921     65.1621     
1 1 1 8  4  41 o 93.683  2.18638 50.7394      3.1602   45.9979      3.1347   94.6714     199.979     20.4265     199.979     
1 1 1 8  4  42 o 45.9036 2.91994 11.0769      2.01277  12.5594      2.06749  49.5154     149.59      21.3497     149.59      
1 1 1 8  4  43 f 62.9226 2.8118  18.4671      2.59604  26.1167      2.79058  60.401      44.5954     0           0           
1 1 1 8  4  44 o 37.9948 3.38011 7.24574      1.9188   9.33936      1.91673  23.3834     208.983     18.5967     28.9826     
1 1 1 8  4  45 o 47.4828 3.0841  10.4272      2.10104  15.369       2.32704  43.5832     153.299     4.49867     153.299     
1 1 1 8  4  46 o 47.9468 3.23851 14.8213      2.33868  11.5565      2.3486   43.2261     56.0565     2.25851     56.0565     
1 1 1 8  4  47 o 46.9566 3.015   12.225       2.15523  12.9835      2.15561  38.2348     88.8669     5.9019      268.867     
1 1 1 8  4  48 f 43.5289 3.21114 11.3143      2.10912  10.6364      2.12946  33.9144     264.882     0           0           
1 1 1 8  4  49 o 32.192  4.07017 6.29394      1.93039  6.31266      1.95676  21.4996     138.723     10.9396     318.723     
1 1 1 8  4  50 o 13.4808 4.21266 0.155572     1.64907  -0.536809    1.81237  1.01103     59.396      10.8088     239.396     
1 1 1 8  4  51 o 14.0001 4.3656  -0.0300369   1.73495  0.048985     1.93484  2.92745     354.175     8.06571     174.175     
1 1 1 8  4  52 o 21.4152 5.11383 3.01022      1.8848   3.20622      2.12024  17.2066     43.5925     4.90272     43.5925     
1 1 1 8  4  53 o 50.061  3.77489 17.9764      2.84632  13.3366      2.81567  50.1728     334.607     13.7481     334.607     
1 1 1 8  4  54 o 17.8842 4.88726 3.47091      2.15241  -0.13223     2.0112   11.1321     202.391     0.521614    202.391     
1 1 1 8  4  55 o 17.6277 5.02765 1.95547      2.19432  1.82326      2.01107  11.8221     307.921     0.953244    307.921     
1 1 1 8  4  56 o 22.1282 5.58695 0.497857     3.40522  6.01382      2.52074  18.1283     115.414     1.9767      115.414     
1 1 1 8  4  57 o 31.3785 5.08209 6.96612      2.3838   7.92403      2.42596  32.5564     130.209     14.3869     130.209     
1 1 1 8  4  58 o 14.6119 4.54855 0.833179     1.9475   0.72246      2.02577  5.69528     2.42915     0.968552    2.42915     
1 1 1 8  4  59 o 14.4    4.54853 1.2385       2.08506  -0.0731654   2.07283  2.71743     170.517     0.364669    350.517     
1 1 1 8  4  60 o 20.5045 5.39523 3.68292      2.24774  3.67112      2.30613  11.4764     342.949     2.6107      342.949     
1 1 1 8  4  61 o 16.0967 4.80372 2.91581      2.0521   0.481247     2.27044  7.72656     42.8256     1.0543      222.826     
1 1 1 8  4  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  5  0  o 225.11  2.19575 276.086      7.60818  276.086      7.60818  228.332     180         25.1885     180         
1 1 1 8  5  1  o 456.961 2.11441 1127.65      14.2896  1146.7       15.4535  527.738     35.6616     189.956     35.6615     
1 1 1 8  5  2  o 334.688 2.09746 602.965      10.3861  617.104      11.2261  299.715     97.7701     31.4884     277.77      
1 1 1 8  5  3  o 194.977 2.2167  211.352      6.66519  202.758      6.64404  242.755     59.9451     152.46      59.9451     
1 1 1 8  5  4  o 587.482 2.34337 1878.89      22.1557  1880.44      20.197   590.136     238.225     61.1931     238.225     
1 1 1 8  5  5  o 459.015 2.31164 1150.62      17.0807  1144.33      15.567   476.505     50.6812     82.4002     50.6812     
1 1 1 8  5  6  o 439.088 2.19603 1090.85      14.8687  1009.88      14.8136  416.238     220.941     0.113578    40.9252     
1 1 1 8  5  7  o 568.707 2.22745 1788.47      19.5346  1734.56      19.4765  559.562     71.8331     37.3894     71.8331     
1 1 1 8  5  8  o 552.266 2.05664 1672.99      17.4969  1649.01      17.483   520.715     309.631     8.13922     129.63      
1 1 1 8  5  9  o 217.843 2.20248 261.14       7.39467  255.771      7.38145  154.709     161.308     91.0916     341.308     
1 1 1 8  5  10 o 128.902 2.686   92.3014      5.67571  88.8865      4.96377  81.7739     164.599     48.7199     344.599     
1 1 1 8  5  11 o 584.872 2.23811 1865.56      20.1636  1860.57      20.151   503.937     174.172     102.078     354.172     
1 1 1 8  5  12 o 424.135 2.04038 989.025      13.327   970.43       13.3244  398.047     233.141     2.04044     53.1404     
1 1 1 8  5  13 o 512.155 2.56858 1436.13      19.082   1421.62      21.3568  416.704     234.887     134.685     54.8868     
1 1 1 8  5  14 o 483.63  2.48004 1301.7       16.4907  1246.9       20.1782  548.61      274.41      189.455     274.41      
1 1 1 8  5  15 o 192.396 2.05692 207.123      6.09062  196.187      6.09396  206.651     351.889     86.1588     351.889     
1 1 1 8  5  16 o 568.594 2.01114 1780.94      17.0403  1741.18      18.1461  642.484     121.64      212.443     121.64      
1 1 1 8  5  17 o 283.687 1.90958 450.894      8.34923  426.014      8.33012  274.919     228.821     24.2078     228.821     
1 1 1 8  5  18 o 159.272 1.96125 141.924      4.81125  134.505      4.80665  123.091     128.876     38.5183     308.876     
1 1 1 8  5  19 o 125.412 2.00177 83.2542      3.86053  88.1585      3.86904  86.5802     304.578     47.142      124.578     
1 1 1 8  5  20 o 213.255 1.924   246.095      6.31219  249.462      6.32409  160.628     50.5554     73.9533     230.555     
1 1 1 8  5  21 o 331.447 2.04491 602.796      10.4405  594.525      10.4333  310.077     36.6771     1.09459     216.678     
1 1 1 8  5  22 o 194.838 2.1588  204.939      6.7166   208.896      6.22278  191.015     286.723     23.3479     286.723     
1 1 1 8  5  23 o 121.612 2.10471 78.5016      4.06762  82.8079      3.79751  97.6759     156.256     22.0565     336.256     
1 1 1 8  5  24 o 177.298 2.02844 177.139      5.33856  165.647      5.71385  133.144     9.58993     60.4508     189.59      
1 1 1 8  5  25 o 106.959 2.30509 62.7425      3.62764  62.1517      3.94816  56.3263     192.985     77.7838     12.9845     
1 1 1 8  5  26 o 120.451 2.10183 78.5343      4.03941  79.7337      3.74597  95.5904     251.65      22.9129     71.6496     
1 1 1 8  5  27 o 155.866 2.03756 134.602      4.74539  130.343      5.02603  153.618     40.0461     24.4306     40.0461     
1 1 1 8  5  28 o 172.678 2.11562 164.888      5.23005  160.361      5.98423  162.25      139.106     7.81817     139.106     
1 1 1 8  5  29 o 130.703 2.09631 90.9916      4.0782   95.3782      4.36032  76.0524     231.408     86.9811     51.4078     
1 1 1 8  5  30 o 182.824 1.97735 180.376      5.56344  184.181      5.56983  210.974     302.351     87.6561     302.351     
1 1 1 8  5  31 o 180.405 1.98262 175.83       5.50545  179.202      5.5098   213.761     137.018     98.8116     137.018     
1 1 1 8  5  32 o 21.4134 4.31111 4.17534      1.67686  0.650454     1.6536   6.45823     139.383     19.3879     139.383     
1 1 1 8  5  33 o 177.327 2.11455 170.855      5.77489  172.424      5.77317  143.07      195.705     39.5163     15.7053     
1 1 1 8  5  34 o 77.8003 2.68534 35.1316      3.22491  31.3116      3.1839   53.4645     7.97827     31.3481     187.978     
1 1 1 8  5  35 o 49.6341 3.13344 13.013       2.37515  14.2488      2.35918  38.5262     45.0061     0.920517    225.006     
1 1 1 8  5  36 o 45.3372 3.29536 13.8881      2.25188  9.20138      2.2058   26.9161     318.892     17.3611     138.892     
1 1 1 8  5  37 o 87.7074 2.829   42.3876      4.1183   42.3232      3.4747   80.4109     93.6923     5.37204     93.6923     
1 1 1 8  5  38 o 73.5249 2.79509 28.0382      3.23558  31.6761      3.04544  77.5892     319.423     27.5669     319.423     
1 1 1 8  5  39 o 59.1276 2.54511 18.6319      2.29856  19.9933      2.31228  41.3108     11.3766     21.112      191.377     
1 1 1 8  5  40 f 24.5027 4.59469 4.1381       1.76295  2.90658      1.7942   28.7465     95.0761     0           0           
1 1 1 8  5  41 o 19.5434 4.61224 1.65458      1.59976  2.51855      1.68126  6.31481     90.9704     8.01321     270.97      
1 1 1 8  5  42 o 33.8707 3.60219 6.13377      1.81909  7.05599      1.81411  22.7402     87.3995     11.0927     267.399     
1 1 1 8  5  43 o 27.4833 4.19666 4.60524      1.74806  4.35541      1.7003   17.6028     22.4907     7.9917      202.491     
1 1 1 8  5  44 o 59.3668 2.78182 20.069       2.5123   19.4517      2.544    58.3023     46.55       12.1932     46.55       
1 1 1 8  5  45 o 23.5253 4.48044 4.89764      1.74574  1.66725      1.82963  16.9512     69.4413     0.816553    249.441     
1 1 1 8  5  46 o 46.8562 3.12455 12.6895      2.14962  12.3809      2.29998  28.3917     248.729     26.046      68.729      
1 1 1 8  5  47 o 51.3083 3.16039 14.0035      2.4502   16.2823      2.48373  47.188      240.688     4.56872     240.688     
1 1 1 8  5  48 o 57.9272 2.83313 21.0151      2.41023  17.3514      2.57112  50.5994     4.09057     0.398935    184.09      
1 1 1 8  5  49 o 42.0787 3.52048 10.986       2.11602  9.88567      2.32698  50.1947     36.1865     31.5263     36.1865     
1 1 1 8  5  50 o 13.0667 4.1345  -0.467873    1.70017  -0.208514    1.71939  2.70791     97.8144     21.9183     97.8144     
1 1 1 8  5  51 o 39.294  3.77804 8.16932      2.19173  10.806       2.2191   29.8582     114.844     7.47463     294.844     
1 1 1 8  5  52 o 11.2794 3.79832 -1.23606     1.82644  -2.29926     1.82078  0.546294    30.6953     14.6183     30.6952     
1 1 1 8  5  53 f 14.5224 4.53885 0.467555     1.99314  -0.072245    2.00806  11.1988     302.273     0           0           
1 1 1 8  5  54 o 14.5125 4.5821  -0.0249366   2.35602  0.327848     1.83266  4.60825     100.406     7.9727      280.406     
1 1 1 8  5  55 o 21.9905 5.35115 2.90783      2.2509   4.45552      2.22001  11.703      253.094     11.9232     73.0942     
1 1 1 8  5  56 o 15.6173 4.68043 1.84166      1.93577  0.226372     2.07427  8.94678     132.239     3.02765     132.239     
1 1 1 8  5  57 o 18.9845 5.34464 0.637666     2.18286  4.78096      2.71738  10.7151     277.88      6.06457     277.88      
1 1 1 8  5  58 o 13.8186 4.432   -0.425485    1.92177  0.90637      2.16221  5.8251      220.893     1.0614      40.8932     
1 1 1 8  5  59 o 40.0036 4.10116 11.236       2.42678  10.9659      2.47641  42.6257     349.021     19.9708     349.021     
1 1 1 8  5  60 o 31.902  4.97168 11.1682      2.5069   5.25612      2.413    33.1867     284.033     19.6894     284.033     
1 1 1 8  5  61 o 13.6007 4.39796 -0.215167    2.0265   1.13348      2.1198   4.67488     252.626     4.50589     72.6264     
1 1 1 8  5  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  6  0  o 756.402 2.29856 3115.64      26.772   3115.64      26.772   790.39      9.86757e-07 134.555     9.86757e-07 
1 1 1 8  6  1  o 516.905 2.21535 1457.49      17.637   1452.76      17.6303  541.459     73.3211     102.393     73.3211     
1 1 1 8  6  2  f 517.069 2.2146  1457.35      17.6374  1454.75      17.6292  492.428     105.241     0           0           
1 1 1 8  6  3  o 265.272 2.19816 366.841      8.961    399.98       8.98595  309.785     33.5492     132.575     33.5492     
1 1 1 8  6  4  o 73.7437 2.9292  26.3105      3.29242  33.3323      3.2975   20.5909     15.1704     149.829     15.1703     
1 1 1 8  6  5  o 195.889 2.15652 214.834      6.24052  203.199      6.74222  173.722     182.407     5.80801     2.40665     
1 1 1 8  6  6  o 524.286 2.05276 1499.56      16.5686  1494.32      16.5769  507.109     306.913     20.6572     306.913     
1 1 1 8  6  7  o 118.845 2.28261 76.8043      4.34426  77.1581      3.99448  89.3904     289.189     17.1159     289.189     
1 1 1 8  6  8  o 74.0462 3.0014  29.8113      3.43862  30.1242      3.37656  27.4543     178.15      159.411     178.15      
1 1 1 8  6  9  o 273.668 2.39282 428.185      10.1026  388.148      10.0493  204.082     195.522     99.6293     15.5221     
1 1 1 8  6  10 o 222.823 2.32223 283.889      8.39221  257.287      7.54869  237.623     151.107     79.7168     151.107     
1 1 1 8  6  11 o 257.956 2.14295 368.354      8.14964  356.513      8.84755  287.395     312.405     110.442     312.405     
1 1 1 8  6  12 f 250.514 2.05229 342.322      7.89991  341.273      7.93393  207.096     109.118     0           0           
1 1 1 8  6  13 o 167.941 2.23617 153.119      5.78213  154.136      5.78375  40.6638     248.742     219.25      68.7424     
1 1 1 8  6  14 o 178.838 2.22548 172.378      6.12172  176.073      6.13543  82.0955     334.274     157.324     154.274     
1 1 1 8  6  15 o 255.71  2.01938 366.446      7.95965  346.037      7.93925  217.694     26.8093     35.0315     206.809     
1 1 1 8  6  16 o 31.886  3.56841 4.11242      1.62797  7.49128      1.67704  10.1877     172.937     24.3079     172.937     
1 1 1 8  6  17 o 69.3609 2.38251 27.5382      2.43878  25.0451      2.61879  2.44805     113.638     92.1537     293.638     
1 1 1 8  6  18 o 139.721 2.16279 105.449      4.29287  107.294      4.99319  153         98.926      70.5837     98.926      
1 1 1 8  6  19 o 245.192 1.90693 326.901      7.19226  328.18       7.20768  286.307     237.862     121.316     237.862     
1 1 1 8  6  20 o 12.605  3.71816 -0.160414    1.21773  0.415094     1.20256  75.7871     319.925     157.715     319.925     
1 1 1 8  6  21 o 97.9924 2.14899 48.5038      3.31026  56.4215      3.13777  85.1603     237.119     7.53945     237.119     
1 1 1 8  6  22 o 140.153 2.13686 113.169      4.62269  101.141      4.59163  116.262     213.649     21.2008     33.6493     
1 1 1 8  6  23 o 300.398 2.04716 506.563      9.47568  477.403      9.45807  312.183     252.054     64.6531     252.054     
1 1 1 8  6  24 o 136.057 2.06045 98.8231      4.14833  103.033      4.48455  145.975     327.799     51.6294     327.799     
1 1 1 8  6  25 o 111.383 2.11785 66.6653      3.49706  68.7291      3.75989  118.669     270.385     50.2037     270.385     
1 1 1 8  6  26 o 63.287  2.58645 23.8097      2.51505  20.1285      2.49255  31.9715     258.457     31.8969     78.4566     
1 1 1 8  6  27 o 87.6821 2.34082 39.6787      3.14853  44.3925      3.15395  39.4669     264.94      75.3585     84.9401     
1 1 1 8  6  28 o 33.5506 3.64746 4.02621      1.73059  9.05715      1.73662  22.0008     220.937     91.2307     220.937     
1 1 1 8  6  29 o 165.373 1.99403 145.273      5.075    153.051      5.07832  139.542     347.391     24.109      167.391     
1 1 1 8  6  30 o 222.263 1.95341 267.806      6.68684  271.013      6.68445  271.643     241.423     135.738     241.423     
1 1 1 8  6  31 o 86.527  2.30593 39.3565      2.98831  42.5255      3.14627  65.3409     188.02      20.0739     8.01962     
1 1 1 8  6  32 o 87.7734 2.36699 43.0043      3.20274  41.2687      3.18337  84.5611     203.228     16.8324     203.228     
1 1 1 8  6  33 o 25.0695 5.0641  3.22746      1.98502  3.90527      2.12489  16.9282     319.198     66.6362     319.198     
1 1 1 8  6  34 o 179.665 2.14842 179.057      5.94778  173.662      5.93915  189.015     80.488      49.577      80.488      
1 1 1 8  6  35 o 101.006 2.32044 57.5045      3.60739  54.2583      3.59927  107.207     79.039      35.1327     79.039      
1 1 1 8  6  36 o 95.7444 2.56953 49.1527      3.77986  51.5224      3.78162  74.6625     260.319     21.8134     80.3186     
1 1 1 8  6  37 o 119.848 2.38505 76.8589      4.39035  80.802       4.4024   132.195     70.4872     49.2112     70.4872     
1 1 1 8  6  38 o 41.6087 3.34181 9.385        2.188    10.0205      2.00327  19.2694     227.83      30.8747     47.8301     
1 1 1 8  6  39 o 64.8093 2.44956 24.7376      2.43605  21.6731      2.42751  73.3559     309.07      34.7888     309.07      
1 1 1 8  6  40 o 27.492  4.5569  3.53198      1.99373  5.39229      1.83584  10.7253     289.559     22.8503     109.559     
1 1 1 8  6  41 o 83.4309 2.52228 37.4897      3.35124  39.6412      3.09996  86.1753     239.812     23.1784     239.812     
1 1 1 8  6  42 f 44.3302 3.28227 7.73798      2.11244  15.1043      2.04496  19.562      121.332     0           0           
1 1 1 8  6  43 o 49.6761 2.8484  12.4902      2.15815  15.3086      2.14027  42.6359     283.224     1.2931      103.225     
1 1 1 8  6  44 o 33.2998 3.8963  7.35847      2.02099  5.68005      1.83279  26.5786     18.5576     1.99297     198.558     
1 1 1 8  6  45 o 71.1353 2.61629 26.5807      2.82856  30.1708      2.87725  79.3592     261.615     32.7504     261.615     
1 1 1 8  6  46 o 14.1903 4.26127 -1.01395     1.59122  1.12919      1.77767  4.08428     230.842     6.71174     50.8421     
1 1 1 8  6  47 f 19.2626 4.79871 2.46079      1.70625  1.71208      1.87318  21.4944     102.975     0           0           
1 1 1 8  6  48 o 11.6699 3.78316 -3.0375      1.75484  0.087021     1.55567  0.724464    240.506     8.70913     240.506     
1 1 1 8  6  49 o 50.9919 3.05679 14.6784      2.27339  15.3982      2.48073  48.5387     186.995     9.08965     186.995     
1 1 1 8  6  50 o 14.5533 4.33147 1.46705      1.73685  -1.11423     1.79063  0.00113749  291.467     19.5158     291.448     
1 1 1 8  6  51 o 20.5711 5.36016 3.13233      2.48026  2.39997      1.9919   11.1853     276.514     8.60395     96.5139     
1 1 1 8  6  52 f 17.7511 4.88035 3.51391      2.18779  -1.11091     2.18827  7.92058     337.739     0           0           
1 1 1 8  6  53 o 22.3261 5.08968 2.37372      1.93763  4.71975      2.15537  18.2662     269.818     3.53542     269.818     
1 1 1 8  6  54 o 28.3209 5.00046 4.26951      2.20619  7.36567      2.25381  25.4895     121.044     5.69733     121.044     
1 1 1 8  6  55 o 20.3601 5.13457 1.78958      2.20796  4.16702      2.08456  12.2307     250.528     7.75554     70.5279     
1 1 1 8  6  56 o 30.9825 4.92923 7.47158      2.41298  6.67154      2.17726  28.3318     347.989     5.67682     347.989     
1 1 1 8  6  57 o 22.4912 4.94821 6.53749      2.27394  1.29494      2.09497  16.054      193.709     3.09267     13.7086     
1 1 1 8  6  58 o 18.9106 4.96862 4.29714      2.06402  0.726602     2.27541  9.06885     146.507     10.7696     326.506     
1 1 1 8  6  59 o 14.0481 4.46212 0.229502     1.99874  0.717064     2.02853  1.4465      349.012     1.52324     169.012     
1 1 1 8  6  60 o 17.3649 4.99929 2.72117      2.10736  1.98663      2.11468  8.33731     71.0183     0.805117    251.018     
1 1 1 8  6  61 o 14.3835 4.62855 2.10108      2.37249  -0.567926    2.20019  6.64575     278.827     3.28401     98.8267     
1 1 1 8  7  0  f 178.06  2.26145 172.812      6.19624  172.812      6.19624  134.125     180         0           0           
1 1 1 8  7  1  o 311.853 2.19242 528.705      10.5236  530.596      10.5332  304.778     92.6119     29.2985     92.6119     
1 1 1 8  7  2  o 116.157 2.39017 74.3745      4.27698  72.7271      4.26419  73.1972     24.8844     28.664      24.8844     
1 1 1 8  7  3  o 535.056 2.05681 1567.34      16.9414  1550.87      16.9514  543.526     61.692      75.8073     61.692      
1 1 1 8  7  4  o 391.202 2.03493 843.186      12.2577  823.752      12.2583  401.233     272.644     69.2898     272.644     
1 1 1 8  7  5  o 508.728 2.05285 1415.98      16.075   1402.93      16.0881  474.377     6.96333     11.8281     186.963     
1 1 1 8  7  6  o 118.808 2.38586 77.8196      4.34779  76.0721      4.37258  30.1275     181.801     139.008     1.80067     
1 1 1 8  7  7  o 578.963 2.34368 1834.78      21.8511  1816.65      19.9023  607.594     46.9107     122.118     46.9107     
1 1 1 8  7  8  o 296.994 2.11952 479.779      10.0549  481.005      9.31684  248.445     202.059     53.0035     22.059      
1 1 1 8  7  9  o 386.768 2.18833 816.786      13.0461  812.698      13.0204  377.662     159.376     33.5342     159.376     
1 1 1 8  7  10 o 207.017 2.12749 238.53       7.05012  228.359      6.51268  157.211     172.288     55.3572     352.288     
1 1 1 8  7  11 o 252.126 1.97192 356.831      7.93702  335.753      7.37631  288.236     108.145     129.038     108.145     
1 1 1 8  7  12 o 226.666 2.47508 277.717      9.47598  282.085      7.69556  194.026     107.306     21.0634     287.306     
1 1 1 8  7  13 o 302.704 2.28722 507.221      11.145   491.176      10.1691  273.049     110.222     13.9726     290.222     
1 1 1 8  7  14 f 290.672 2.10227 448.996      9.04816  471.654      9.77107  201.208     174.352     0           0           
1 1 1 8  7  15 o 110.416 2.16801 62.7958      3.66992  70.2528      3.6876   57.272      266.886     68.1075     86.8858     
1 1 1 8  7  16 o 307.431 1.9045  513.395      9.01345  516.33       9.01872  198.341     88.3151     178.125     268.315     
1 1 1 8  7  17 o 119.395 2.01129 78.5863      3.69737  76.7492      3.69793  106.622     49.5721     12.5637     49.5721     
1 1 1 8  7  18 o 250.614 1.91134 333.216      7.36533  351.288      7.38374  211.126     141.582     43.0141     321.582     
1 1 1 8  7  19 o 314.909 1.90369 532.214      9.22057  548.518      9.24106  372.535     22.775      159.605     22.775      
1 1 1 8  7  20 o 121.029 1.9989  80.4405      3.73024  79.2142      3.72042  79.028      35.4765     58.0983     215.477     
1 1 1 8  7  21 o 124.144 2.0735  81.9743      3.81308  86.0527      4.11446  114.895     337.062     10.0237     337.062     
1 1 1 8  7  22 o 104.045 2.25357 59.2324      3.31308  58.9211      3.87572  62.9299     238.631     57.5947     58.6308     
1 1 1 8  7  23 o 61.4047 2.5769  21.6788      2.44227  19.6312      2.40605  5.56896     299.016     112.074     299.016     
1 1 1 8  7  24 o 108.898 2.30314 69.7539      3.74281  59.9025      3.93818  106.774     269.194     28.4718     269.194     
1 1 1 8  7  25 o 96.4967 2.17607 47.6146      3.10099  54.1547      3.35918  74.3105     320.687     17.085      140.687     
1 1 1 8  7  26 o 114.563 2.04471 70.8259      3.61088  72.3575      3.59997  102.195     141.601     1.77143     141.601     
1 1 1 8  7  27 f 67.6205 2.55275 27.5555      2.64704  22.624       2.63124  68.8113     250.014     0           0           
1 1 1 8  7  28 o 12.0639 3.86589 -0.30889     1.58482  -1.81728     1.57494  35.1922     116.758     76.2218     116.758     
1 1 1 8  7  29 o 141.17  2.09002 102.543      4.64551  115.044      4.41363  144.477     172.138     34.212      172.138     
1 1 1 8  7  30 o 133.177 2.04949 91.9005      4.1884   101.731      4.21063  122.342     314.468     4.69989     314.468     
1 1 1 8  7  31 o 35.6337 3.54501 7.49502      1.90247  6.70105      1.87671  3.05287     181.329     38.2731     1.32892     
1 1 1 8  7  32 o 90.4642 2.56893 42.7979      3.55625  46.8564      3.58194  72.1417     206.58      16.1724     26.5799     
1 1 1 8  7  33 o 79.2564 2.53023 33.0592      3.06257  35.8141      3.09499  73.4559     191.633     8.25394     191.633     
1 1 1 8  7  34 o 91.5885 2.22795 46.1585      3.1334   45.6677      3.14154  91.5091     264.856     21.4318     264.856     
1 1 1 8  7  35 o 151.102 2.45493 121.663      5.47038  128.489      5.9536   140.481     113.12      6.91382     113.12      
1 1 1 8  7  36 o 48.1048 3.1647  13.0558      2.25453  12.652       2.37558  18.322      229.261     44.3651     49.2605     
1 1 1 8  7  37 o 42.2172 3.32591 7.46641      1.95442  12.8331      2.22829  31.4369     151.228     2.99866     331.228     
1 1 1 8  7  38 o 59.329  2.79587 21.3621      2.43487  17.7141      2.6054   38.3657     322.767     27.305      142.767     
1 1 1 8  7  39 o 64.179  2.55187 23.4325      2.61241  22.149       2.41129  43.066      13.3474     27.9338     193.347     
1 1 1 8  7  40 o 48.3979 2.94361 12.0775      2.21115  14.1645      2.11069  34.2965     337.679     15.9964     157.679     
1 1 1 8  7  41 o 43.8962 3.21417 9.59278      2.1117   12.2477      2.14461  35.5093     276.928     4.45936     96.9279     
1 1 1 8  7  42 o 47.422  3.1972  13.1489      2.08935  12.3014      2.4831   29.6179     75.8684     23.6765     255.868     
1 1 1 8  7  43 o 11.7518 3.84175 -1.49626     1.46386  -0.759438    1.77848  3.14309     162.388     14.3595     162.388     
1 1 1 8  7  44 o 19.7577 4.91782 2.78602      1.93855  1.42519      1.83516  1.44392     170.294     34.2791     170.294     
1 1 1 8  7  45 o 48.38   3.21048 13.0985      2.54145  13.6661      2.15329  36.9162     96.5966     11.2239     276.597     
1 1 1 8  7  46 o 32.8252 4.28063 7.54981      2.10445  5.5724       2.05198  27.2818     331.176     0.401637    151.176     
1 1 1 8  7  47 o 20.1285 4.49581 0.802423     1.70491  3.81835      1.72266  11.8735     206.656     1.92001     206.656     
1 1 1 8  7  48 f 64.515  2.82457 22.3576      2.76601  25.2099      2.81292  44.2795     74.2346     0           0           
1 1 1 8  7  49 o 14.6244 4.52522 -0.090023    2.10778  0.237068     1.77787  0.435604    224.734     17.5643     44.7344     
1 1 1 8  7  50 o 16.6402 4.78116 1.11704      1.88886  1.30477      1.94618  5.84498     28.5684     10.1616     208.568     
1 1 1 8  7  51 o 29.5503 5.14276 5.64662      2.1886   6.41663      2.46082  31.5756     14.1971     18.1188     14.1971     
1 1 1 8  7  52 o 34.0233 4.55603 6.56689      2.30388  8.846        2.2775   32.7302     290.063     8.72244     290.063     
1 1 1 8  7  53 o 17.2769 5.00805 1.76948      1.99812  1.37528      2.27858  8.75997     89.6797     1.75639     89.6797     
1 1 1 8  7  54 o 19.9947 5.16151 3.47567      2.19152  2.29653      1.9591   12.1031     166.053     6.29599     346.053     
1 1 1 8  7  55 o 19.1663 5.09346 3.07989      2.06163  2.25737      2.03948  12.5591     120         4.26567     300         
1 1 1 8  7  56 f 21.3715 5.05339 1.58544      2.10771  5.39916      2.18841  18.136      208.433     0           0           
1 1 1 8  7  57 o 17.9559 5.09173 3.49861      2.31569  1.21355      2.06087  10.8431     57.9602     4.11924     237.96      
1 1 1 8  7  58 o 31.5867 5.27037 8.09959      2.49848  7.84915      2.54637  28.2613     262.584     5.93993     262.584     
1 1 1 8  7  59 o 19.9922 5.27578 3.94567      2.23801  2.85918      2.14714  8.98341     243.488     2.37275     243.488     
1 1 1 8  7  60 o 17.495  5.06397 2.65469      2.13884  2.54476      2.20415  7.65262     354.475     8.73652     174.475     
1 1 1 8  7  61 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  8  0  o 117.582 2.0556  75.421       3.7168   75.421       3.7168   92.1514     4.06281e-06 1.05106     180         
1 1 1 8  8  1  o 134.891 2.02417 101.928      4.20732  96.3008      4.19947  88.5372     268.79      42.2719     88.7896     
1 1 1 8  8  2  o 424.203 1.90496 1007.34      12.4561  952.982      12.4249  500.42      85.5097     210.404     85.5097     
1 1 1 8  8  3  o 490.028 2.04968 1284.6       15.449   1331.14      15.4812  498.881     309.404     77.6966     309.404     
1 1 1 8  8  4  o 258.641 2.20777 379.763      8.79177  349.241      8.78319  226.533     64.7264     19.2096     244.726     
1 1 1 8  8  5  o 298.153 2.12385 482.964      10.1154  485.344      9.37061  298.42      83.729      49.7755     83.729      
1 1 1 8  8  6  o 364.379 2.03537 711.274      11.4109  735.046      11.4282  296.422     272.229     86.1875     92.2289     
1 1 1 8  8  7  o 556.342 2.06589 1670.21      17.6941  1701.36      17.7021  562.41      20.3376     79.4944     20.3376     
1 1 1 8  8  8  o 277.317 2.03041 429.127      8.69822  408.711      8.64051  173.862     22.698      163.249     202.698     
1 1 1 8  8  9  o 155.007 2.18931 138.877      5.45478  123.112      5.00003  53.3058     136.171     164.958     316.171     
1 1 1 8  8  10 o 227.567 2.03983 288.973      7.15955  275.252      7.13411  121.685     44.0879     172.78      224.088     
1 1 1 8  8  11 o 419.047 2.02564 949.31       13.0717  963.693      13.0701  395.709     93.2371     8.39792     93.2371     
1 1 1 8  8  12 o 90.8677 2.42334 46.673       3.38776  43.4582      3.37888  25.2151     82.0327     83.0016     262.033     
1 1 1 8  8  13 o 305.758 2.17105 517.049      10.2255  501.643      10.217   273.167     149.053     20.8531     329.053     
1 1 1 8  8  14 o 42.6742 2.99227 10.6066      2.00975  9.46066      1.87175  14.7355     146.442     49.7215     146.442     
1 1 1 8  8  15 o 404.124 2.03118 890.803      12.6808  888.732      12.5994  434.195     158.172     112.813     158.172     
1 1 1 8  8  16 o 219.491 2.05737 270.557      7.47349  254.561      6.42131  162.3       313.928     80.5294     133.928     
1 1 1 8  8  17 o 188.471 1.98535 196.597      5.95421  190.525      5.5683   186.593     307.759     30.6464     307.759     
1 1 1 8  8  18 o 214.047 1.91681 249.596      6.31875  249.702      6.31721  205.209     143.245     16.867      143.245     
1 1 1 8  8  19 o 301.867 1.90293 503.388      8.85346  489.772      8.83671  270.624     206.447     20.934      26.4469     
1 1 1 8  8  20 o 105.405 2.05087 57.4726      3.3145   63.8128      3.33066  67.7332     166.26      50.1032     346.26      
1 1 1 8  8  21 o 154.028 2.03286 121.062      4.63498  137.847      5.01015  138.979     181.788     0.620999    1.78824     
1 1 1 8  8  22 o 105.661 2.05429 57.385       3.32923  64.5369      3.34131  115.141     166.279     60.9083     166.279     
1 1 1 8  8  23 o 198.652 1.93896 225.733      5.94492  204.758      5.90888  198.119     218.979     33.3419     218.979     
1 1 1 8  8  24 o 53.7335 2.51217 17.492       2.06591  14.2381      2.05184  21.0483     246.908     19.4852     66.9082     
1 1 1 8  8  25 o 229.073 2.16422 287.027      7.32269  285.35       7.93172  194.351     226.993     33.5878     46.9929     
1 1 1 8  8  26 o 14.4842 4.35123 0.297675     1.51945  -0.341603    1.88777  29.5884     70.3138     65.8643     70.3138     
1 1 1 8  8  27 o 95.9441 2.21875 50.4717      3.14892  50.072       3.39271  45.4315     307.499     80.6597     127.499     
1 1 1 8  8  28 o 116.627 2.25811 71.3088      4.03754  77.2915      4.06157  99.2809     343.039     10.0708     163.039     
1 1 1 8  8  29 o 60.7447 2.7871  20.0288      2.58355  20.4647      2.60235  39.4319     50.7025     17.4948     230.703     
1 1 1 8  8  30 o 166.654 2.01026 150.506      5.1586   152.547      5.15901  172.215     169.956     41.971      169.956     
1 1 1 8  8  31 o 94.7662 2.53616 46.1332      3.67789  52.2553      3.70112  99.0403     73.849      32.6994     73.849      
1 1 1 8  8  32 o 58.6378 3.04894 22.251       2.6969   15.8931      2.70499  31.5045     206.601     37.8021     26.6008     
1 1 1 8  8  33 o 89.9838 2.25946 47.76        3.11493  41.0055      3.1222   74.4297     359.679     10.8486     179.679     
1 1 1 8  8  34 o 39.8494 4.11981 7.90657      2.29814  10.0808      2.60903  3.35498     351.142     72.0565     351.142     
1 1 1 8  8  35 o 99.452  2.53724 52.5799      3.86207  56.0647      3.89441  81.2909     14.0182     14.8629     194.018     
1 1 1 8  8  36 o 14.284  4.11733 -0.7334      1.51262  1.15561      1.49623  13.2373     274.026     35.7967     274.026     
1 1 1 8  8  37 o 86.9601 2.23096 39.4879      2.97598  43.6595      2.98356  85.8226     57.3132     17.4503     57.3132     
1 1 1 8  8  38 o 78.4313 2.40537 30.7723      2.87043  37.217       2.90901  71.8392     262.429     4.3196      262.429     
1 1 1 8  8  39 o 67.117  2.66039 26.1941      2.60757  23.8034      2.84629  46.726      87.4376     26.0966     267.438     
1 1 1 8  8  40 o 65.8185 2.62856 23.7666      2.48043  24.3702      2.8184   70.5176     158.885     25.4043     158.885     
1 1 1 8  8  41 o 67.9287 3.03569 29.4063      2.76302  22.5489      3.38151  48.3695     3.72725     23.8911     183.727     
1 1 1 8  8  42 o 42.0139 3.48554 11.4525      2.00511  8.82416      2.31278  27.4785     146.954     17.4648     326.955     
1 1 1 8  8  43 o 40.3329 3.34043 7.05573      1.9575   11.8527      1.98808  30.7903     174.729     7.49014     354.729     
1 1 1 8  8  44 o 18.6382 4.63795 1.65202      1.67162  2.11676      1.64427  9.49629     303.999     6.52369     123.999     
1 1 1 8  8  45 o 20.4429 4.63233 1.67244      1.68414  3.24327      1.70625  11.8982     217.488     7.04845     37.4879     
1 1 1 8  8  46 o 15.6708 4.60197 0.44973      1.92264  0.86586      1.74492  4.77976     140.687     5.73621     320.687     
1 1 1 8  8  47 o 64.5467 2.77872 24.7258      2.7436   22.7564      2.74962  62.2175     326.918     11.7034     326.918     
1 1 1 8  8  48 o 29.9333 4.7413  4.48428      2.09332  7.00214      2.20052  19.7622     35.33       9.27632     215.33      
1 1 1 8  8  49 f 19.1019 5.43928 2.02727      2.62254  1.65767      2.28754  21.5218     63.5552     0           0           
1 1 1 8  8  50 o 21.8409 5.31711 2.77844      2.34162  3.59835      2.05191  12.1978     355.656     9.13758     175.656     
1 1 1 8  8  51 o 66.2007 2.91505 24.8498      2.95567  26.7924      2.95416  66.1031     37.0089     17.0919     37.0089     
1 1 1 8  8  52 o 27.5477 5.01042 6.72243      2.19046  4.02548      2.19269  28.7626     143.639     16.6587     143.639     
1 1 1 8  8  53 o 16.6749 4.77383 1.33265      1.90374  1.70648      1.90854  7.52345     225.388     7.83431     45.3878     
1 1 1 8  8  54 o 26.0386 5.0256  4.35073      2.10703  5.71012      2.07593  18.6457     313.617     5.24963     133.617     
1 1 1 8  8  55 o 17.9617 4.91816 1.3802       1.99082  2.98431      1.9829   11.9685     183.214     6.20874     183.214     
1 1 1 8  8  56 o 43.2226 4.30195 13.5061      2.76927  12.3362      2.7891   41.9569     146.75      11.2348     146.75      
1 1 1 8  8  57 o 16.6833 4.86864 0.960862     2.04119  2.64066      2.0935   9.67566     20.4347     3.35649     200.435     
1 1 1 8  8  58 o 18.189  5.17348 3.83778      2.32479  1.02539      2.34707  7.72292     138.925     9.30567     318.925     
1 1 1 8  8  59 o 19.8555 5.32883 3.50328      2.13563  3.38318      2.37213  10.2811     40.7427     3.20389     40.7427     
1 1 1 8  8  60 o 11.7406 4.00926 -2.52159     1.98319  -0.0505589   2.31972  1.5955      172.506     2.01863     352.506     
1 1 1 8  8  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  9  0  o 620.646 2.24833 2097.81      21.4866  2097.81      21.4866  696.528     6.47505e-06 218.419     6.47505e-06 
1 1 1 8  9  1  o 185.065 2.07928 195.012      5.93322  178.249      5.90988  142.619     18.3445     35.869      198.344     
1 1 1 8  9  2  o 243.584 2.04432 319.352      7.66776  326.982      7.66767  152.71      6.88156     138.03      186.882     
1 1 1 8  9  3  o 400.321 2.11817 875.381      12.5424  870.347      13.5502  431.278     273.385     121.114     273.385     
1 1 1 8  9  4  o 259.065 2.04506 377.082      8.16613  354.186      8.14528  241.888     69.4294     15.3229     69.4294     
1 1 1 8  9  5  o 125.122 2.17363 86.5675      4.19171  83.9912      4.18374  86.2034     336.539     16.1959     336.539     
1 1 1 8  9  6  o 424.221 1.97511 966.661      13.3185  993.804      12.4584  513.189     331.84      240.798     331.84      
1 1 1 8  9  7  o 169.768 1.95542 156.827      5.10993  157.13       5.11396  147.745     245.722     6.12847     245.722     
1 1 1 8  9  8  o 385.846 2.02745 822.534      12.061   799.406      12.0302  277.914     21.1948     164.048     201.195     
1 1 1 8  9  9  o 99.1275 2.27441 52.1907      3.56887  55.0047      3.3546   52.9805     232.959     6.44044     52.9586     
1 1 1 8  9  10 o 98.1656 2.20422 58.5895      3.3328   46.842       3.29519  57.6187     169.38      6.60837     349.38      
1 1 1 8  9  11 o 125.353 2.2121  86.9287      4.42668  84.3566      4.10767  67.252      37.747      80.4945     217.747     
1 1 1 8  9  12 o 416.978 2.18274 919.955      14.0079  975.077      14.0142  396.972     3.07105     15.0402     3.07104     
1 1 1 8  9  13 o 199.588 2.12517 227.565      6.27585  206.769      6.74505  149.92      334.653     65.3156     154.653     
1 1 1 8  9  14 o 46.438  2.81175 9.17621      1.94099  14.8585      1.94436  2.96018     275.941     26.7866     275.941     
1 1 1 8  9  15 o 140.687 2.0356  107.123      4.56012  108.578      4.25217  136.519     161.293     27.0521     161.293     
1 1 1 8  9  16 o 116.943 2.01461 71.0281      3.61093  78.1497      3.63671  94.0363     15.2768     14.4697     195.277     
1 1 1 8  9  17 o 332.903 1.88933 593.048      9.67655  614.82       9.69202  339.996     149.849     61.0657     149.849     
1 1 1 8  9  18 o 265.765 1.90278 387.285      7.79032  382.52       7.78369  239.632     125.634     13.3061     305.634     
1 1 1 8  9  19 o 413.244 1.97336 923.285      12.9464  938.209      12.1489  405.539     178.6       41.1586     178.6       
1 1 1 8  9  20 o 79.279  2.2694  33.8078      2.86604  34.8497      2.65561  64.7279     355.714     12.0067     355.714     
1 1 1 8  9  21 o 107.523 2.13555 64.7423      3.65862  61.4487      3.40648  83.4757     188.127     19.7114     8.12695     
1 1 1 8  9  22 o 171.186 2.10314 160.5        5.53459  159.069      5.55332  122.338     279.309     67.1682     99.3087     
1 1 1 8  9  23 o 262.045 1.91697 381.766      7.73601  366.989      7.73256  271.308     132.909     60.3681     132.909     
1 1 1 8  9  24 o 141.227 1.99611 110.531      4.34502  106.983      4.33626  111.43      181.172     32.1977     1.17221     
1 1 1 8  9  25 o 80.0112 2.22502 36.1705      2.73773  33.8002      2.73217  74.0063     325.723     16.6213     325.723     
1 1 1 8  9  26 o 67.8743 2.59734 25.5511      2.70436  24.9         2.70448  28.1853     196.818     59.3876     16.818      
1 1 1 8  9  27 o 31.8065 4.15738 6.22382      1.97884  5.23892      1.94092  0.528698    22.8955     18.5384     22.8956     
1 1 1 8  9  28 f 135.937 2.04391 96.0782      4.26489  105.64       4.28579  154.868     91.4377     0           0           
1 1 1 8  9  29 o 119.823 2.33588 79.3941      4.11016  77.5054      4.4881   56.8634     228.912     102.668     48.9117     
1 1 1 8  9  30 o 204.329 2.42677 222.331      7.26295  233.898      8.00547  181.831     69.3207     9.58684     249.321     
1 1 1 8  9  31 o 115.532 2.58259 67.8137      4.78308  78.5147      4.3302   104         158.401     0.308957    158.401     
1 1 1 8  9  32 o 105.784 2.17229 63.4327      3.51721  59.009       3.54773  86.4091     257.682     16.6233     77.6817     
1 1 1 8  9  33 o 142.998 2.52739 111.964      5.26388  112.088      5.846    132.713     195.401     7.35189     195.402     
1 1 1 8  9  34 o 89.7344 2.61503 45.9518      3.62063  42.564       3.58792  73.0591     218.041     12.4564     38.0407     
1 1 1 8  9  35 o 86.4433 2.23135 39.8854      2.96676  42.117       2.96187  64.6587     45.4151     23.9917     225.415     
1 1 1 8  9  36 o 80.8479 2.35841 34.0892      2.8102   37.8539      3.05113  73.8672     128.468     5.16298     128.468     
1 1 1 8  9  37 o 49.8611 3.09582 13.2463      2.17846  14.5094      2.52602  46.9305     154.077     10.316      154.077     
1 1 1 8  9  38 o 54.5118 2.88005 16.4866      2.27227  16.6152      2.52146  69.6672     21.6029     49.7362     21.6029     
1 1 1 8  9  39 o 24.482  4.46998 3.15972      1.70588  3.93682      1.69935  14.4196     43.2511     4.76413     223.251     
1 1 1 8  9  40 o 44.8712 2.98202 10.6817      2.03954  11.9785      2.02589  41.1535     161.543     5.90649     161.543     
1 1 1 8  9  41 o 28.3051 4.27947 2.40939      1.86777  7.41478      1.88283  6.37373     259.951     34.2435     79.9509     
1 1 1 8  9  42 o 25.1224 4.69169 3.44006      1.84621  4.20539      1.84834  9.28582     257.086     21.409      77.0863     
1 1 1 8  9  43 o 55.9799 2.953   17.6444      2.71988  17.7641      2.31273  54.1077     45.629      10.4152     45.6289     
1 1 1 8  9  44 o 36.2334 3.69409 7.16865      1.98192  8.21924      2.01505  28.1015     236.924     5.95457     56.9241     
1 1 1 8  9  45 o 35.1169 4.14827 9.371        1.95838  5.63844      2.21995  27.938      107.824     3.30926     287.824     
1 1 1 8  9  46 o 22.3603 4.78675 4.08063      1.77808  2.02921      1.97351  13.2971     92.9213     6.46333     272.921     
1 1 1 8  9  47 o 35.9869 4.06451 8.75558      2.17874  6.98332      2.15512  35.4755     253.886     12.3314     253.886     
1 1 1 8  9  48 o 40.3655 3.93762 9.91612      2.37377  9.8721       2.39096  40.9265     357.407     14.7237     357.407     
1 1 1 8  9  49 o 16.6857 4.85761 1.28518      1.90989  0.982511     2.12521  4.40243     310.755     0.130871    310.755     
1 1 1 8  9  50 o 21.2084 5.19705 0.594018     2.31958  4.92375      2.32564  14.2081     302.664     8.12295     302.664     
1 1 1 8  9  51 o 17.1268 5.16111 0.946507     2.55717  1.40099      2.2528   2.6764      231.132     21.1431     51.1321     
1 1 1 8  9  52 o 14.5119 4.49702 -1.37874     2.10199  1.36922      1.95808  2.59489     259.987     14.4772     79.9867     
1 1 1 8  9  53 o 28.2003 5.22878 7.90986      2.60132  4.14153      2.08729  23.0233     359.844     0.434675    359.844     
1 1 1 8  9  54 o 28.4392 5.12123 6.93493      2.22344  5.23375      2.32535  28.1177     302.112     10.6068     302.112     
1 1 1 8  9  55 o 17.815  4.87546 0.732454     2.02223  3.41208      2.02552  6.95416     137.141     3.95279     137.141     
1 1 1 8  9  56 o 11.09   3.7916  -1.27146     1.91576  -2.75514     2.06753  1.24487     220.687     1.5289      40.6868     
1 1 1 8  9  57 o 17.4012 5.01131 0.896593     2.04043  3.41461      2.29567  9.76631     170.362     1.82569     170.362     
1 1 1 8  9  58 o 16.2052 4.89405 2.8349       2.30022  0.125288     2.16811  3.73292     44.4757     1.83834     224.476     
1 1 1 8  9  59 o 14.7452 4.65481 -0.404042    2.0608   2.27457      2.31856  4.93249     307.608     3.37744     127.608     
1 1 1 8  9  60 o 18.2085 5.09516 3.86687      2.15909  2.08843      2.19352  11.8725     25.2174     2.32135     205.217     
1 1 1 8  10 0  o 176.733 2.23678 170.265      6.08299  170.265      6.08299  220.43      180         115.784     180         
1 1 1 8  10 1  o 165.916 2.24416 152.258      5.73818  147.682      5.72829  134.796     311.383     15.5356     131.383     
1 1 1 8  10 2  o 217.333 2.20325 265.592      7.37906  249.151      7.363    224.254     274.887     64.0552     274.887     
1 1 1 8  10 3  o 278.474 2.18707 398.689      9.35182  446.883      9.38422  294.218     203.123     82.0215     203.123     
1 1 1 8  10 4  f 93.5383 2.24767 49.3374      3.2375   46.1292      3.22572  31.5005     30.2202     0           0           
1 1 1 8  10 5  o 232.229 2.03225 296.109      7.27347  291.442      7.26121  138.786     275.905     147.216     95.9047     
1 1 1 8  10 6  o 181.614 2.06181 170.461      5.7485   189.137      5.77344  180.067     161.89      43.8576     161.89      
1 1 1 8  10 7  o 204.389 2.04443 236.407      6.4383   218.901      6.42424  188.108     16.9903     9.58465     16.9903     
1 1 1 8  10 8  o 136.923 2.36329 103.184      4.7538   101.196      5.19294  85.7623     319.507     66.1759     139.507     
1 1 1 8  10 9  o 391.592 2.17915 846.019      13.1508  825.003      13.1287  350.817     78.8242     27.61       258.824     
1 1 1 8  10 10 o 268.807 2.01397 392.758      8.33662  394.564      8.33638  305.021     173.419     117.441     173.419     
1 1 1 8  10 11 o 130.967 2.27272 92.8943      4.57604  94.0471      4.59092  102.03      345.806     23.8472     165.806     
1 1 1 8  10 12 o 316.084 2.27499 540.309      10.5491  548.671      11.5806  320.489     344.437     55.6363     344.437     
1 1 1 8  10 13 f 121.275 2.11536 81.0136      3.95265  79.2876      3.94795  134.378     33.6022     0           0           
1 1 1 8  10 14 o 83.8774 2.1837  37.4733      2.74666  39.3305      2.88513  49.5106     291.348     25.9905     291.348     
1 1 1 8  10 15 o 26.3461 3.67035 4.02449      1.42357  3.82233      1.4482   64.9507     188.982     158.51      188.982     
1 1 1 8  10 16 o 251.413 1.89466 342.108      7.3325   346.791      7.33757  236.858     171.65      9.86584     171.65      
1 1 1 8  10 17 o 138.494 1.96835 105.74       4.19887  103.338      4.19638  131.96      209.432     17.7808     209.432     
1 1 1 8  10 18 o 70.7841 2.22151 24.7171      2.39859  30.1602      2.41536  42.6681     155.643     22.0633     335.643     
1 1 1 8  10 19 o 74.0113 2.33554 30.3317      2.75105  29.5354      2.55777  54.6549     292.49      17.7657     292.49      
1 1 1 8  10 20 o 215.32  1.92094 251.738      6.36833  253.705      6.37009  214.455     75.8918     35.8946     75.8918     
1 1 1 8  10 21 o 59.951  2.38998 21.3718      2.19381  18.0365      2.18895  20.3535     206.153     48.3486     26.1528     
1 1 1 8  10 22 o 64.0951 2.3704  25.2753      2.32765  19.8361      2.31046  32.666      350.104     33.617      170.104     
1 1 1 8  10 23 o 131.072 2.03681 92.9528      4.10529  94.4134      4.11666  119.382     239.874     4.78078     239.874     
1 1 1 8  10 24 o 191.376 2.11936 204.478      6.72398  195.089      5.74953  162.392     312.948     25.0783     132.948     
1 1 1 8  10 25 o 82.3137 2.39727 39.3906      3.28387  34.7582      2.78205  89.7709     246.825     53.7703     246.825     
1 1 1 8  10 26 o 160.985 2.07058 138.96       5.29782  143.78       4.95536  181.282     325.336     73.0896     325.336     
1 1 1 8  10 27 o 100.847 2.24434 54.9837      3.61021  56.1323      3.34336  106.15      262.901     39.3352     262.901     
1 1 1 8  10 28 f 111.602 2.3097  72.4555      3.97133  63.7952      3.94804  94.4285     26.2911     0           0           
1 1 1 8  10 29 o 126.067 2.33619 82.1197      4.31278  91.7393      4.75315  131.329     30.2331     37.598      30.2331     
1 1 1 8  10 30 o 120.548 2.56068 80.0117      4.4762   79.0672      5.0015   126.284     251.547     36.9074     251.547     
1 1 1 8  10 31 f 45.3674 3.52066 13.271       2.37473  9.7581       2.40341  60.1178     222.161     0           0           
1 1 1 8  10 32 o 101.182 2.42827 53.9192      3.93902  58.3351      3.58995  103.644     94.6932     29.0484     94.6932     
1 1 1 8  10 33 o 27.6662 4.96664 2.89653      2.03123  6.08429      2.31787  2.58807     221.204     6.60069     41.2041     
1 1 1 8  10 34 f 47.4363 4.25112 10.2041      1.99105  15.5062      4.03243  36.0582     200.509     0           0           
1 1 1 8  10 35 o 71.7555 2.56001 28.366       2.56736  28.3862      3.04967  53.066      110.11      19.7412     290.11      
1 1 1 8  10 36 o 29.4447 3.92134 4.16838      1.70924  5.88024      1.70351  15.9166     271.134     9.63683     91.1335     
1 1 1 8  10 37 o 62.7971 2.46501 20.8587      2.37074  22.7738      2.37436  55.7486     90.1418     1.27904     90.1418     
1 1 1 8  10 38 o 55.1885 2.91324 15.2422      2.53949  18.8643      2.32006  47.6864     230.72      0.788949    50.72       
1 1 1 8  10 39 o 13.1874 4.03335 0.205203     1.51989  -0.413384    1.50106  4.1476      312.624     20.1572     312.624     
1 1 1 8  10 40 o 50.3908 3.06468 14.9641      2.58069  13.685       2.12159  49.5624     143.5       12.7171     143.5       
1 1 1 8  10 41 o 89.0364 2.42547 46.5591      3.57708  41.6355      3.06194  87.6884     111.933     17.7072     111.933     
1 1 1 8  10 42 o 33.6261 4.04493 7.8711       2.01673  5.55067      1.99114  23.2628     348.028     9.82802     168.028     
1 1 1 8  10 43 o 18.2444 4.62169 1.32257      1.6559   2.18676      1.67093  10.8009     330.89      1.83828     150.89      
1 1 1 8  10 44 o 53.462  2.80648 16.3512      2.28985  16.0853      2.29787  45.0052     179.531     3.19134     359.531     
1 1 1 8  10 45 o 15.2808 4.45678 1.29215      1.66619  -0.246746    1.84342  3.31685     127.917     3.61754     307.917     
1 1 1 8  10 46 o 27.2709 4.56109 4.39726      1.86409  4.95435      1.90863  17.9278     263.293     7.52221     83.293      
1 1 1 8  10 47 o 46.5678 3.33292 10.6588      2.30785  14.9395      2.34565  35.7697     82.7645     8.1705      262.764     
1 1 1 8  10 48 o 26.9548 5.6383  3.31342      2.39583  6.92408      2.77578  23.6        78.7686     7.54988     78.7686     
1 1 1 8  10 49 o 16.9927 4.75983 -0.101336    1.90568  2.60619      2.01253  8.61213     4.28692     4.1659      184.287     
1 1 1 8  10 50 f 22.7252 5.76699 5.05429      2.64964  2.2835       2.70806  22.945      288.152     0           0           
1 1 1 8  10 51 o 31.1421 5.41708 6.58728      2.28926  7.48857      2.87606  28.526      19.0956     6.87215     19.0956     
1 1 1 8  10 52 o 26.0799 5.07773 5.95124      2.21298  4.00985      2.04102  22.9715     321.2       5.65632     321.2       
1 1 1 8  10 53 o 14.0158 4.3922  0.821166     1.87316  -0.323069    1.93403  5.06093     73.8146     1.34805     73.8146     
1 1 1 8  10 54 o 17.5547 4.90698 1.26381      1.97943  2.79549      2.02201  10.3521     105.475     4.90598     285.475     
1 1 1 8  10 55 o 13.275  4.3154  -2.0038      1.8714   1.19884      2.22756  5.00432     309.394     4.71886     129.394     
1 1 1 8  10 56 o 19.2098 5.28177 2.71061      2.3939   3.27668      2.13787  12.7527     104.28      6.70715     104.28      
1 1 1 8  10 57 o 17.0326 5.08257 2.14398      2.41004  1.89216      2.15692  6.33408     266.503     8.92352     86.5027     
1 1 1 8  10 58 o 12.8063 4.22088 -2.48914     2.30891  0.732783     1.99688  0.881321    121.628     2.3946      301.628     
1 1 1 8  10 59 o 21.5959 5.59405 3.89666      2.44204  5.61225      2.49334  16.5369     296.509     2.65981     296.509     
1 1 1 8  10 60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  11 0  o 413.96  2.18935 933.452      13.9543  933.452      13.9543  457.772     2.76132e-06 139.142     2.76132e-06 
1 1 1 8  11 1  o 120.777 2.21938 79.6014      4.26978  79.458       3.97344  83.138      166.814     35.3314     346.815     
1 1 1 8  11 2  o 76.0334 2.35367 32.82        2.74809  30.3267      2.74679  28.744      182.563     180.558     182.563     
1 1 1 8  11 3  o 303.564 2.02157 492.401      9.44059  511.736      9.45699  283.468     55.2639     7.3511      55.2637     
1 1 1 8  11 4  o 305.715 2.0203  516.9        9.51938  501.497      9.50106  338.034     178.622     114.334     178.622     
1 1 1 8  11 5  o 132.812 2.11208 92.5851      4.31537  99.6858      4.31942  109.275     163.137     9.33714     343.137     
1 1 1 8  11 6  o 204.768 2.03909 234.405      6.43668  222.556      6.41977  185.401     343.584     0.484597    163.584     
1 1 1 8  11 7  o 181.003 2.12276 179.354      5.70185  177.669      6.12189  200.913     166.24      81.7188     166.24      
1 1 1 8  11 8  o 276.885 2.17085 415.292      9.2571   420.236      9.25446  305.926     43.4189     104.025     43.4189     
1 1 1 8  11 9  o 156.482 2.21781 135.491      5.32809  131.411      5.35877  124.546     281.328     30.4657     101.328     
1 1 1 8  11 10 o 320.807 2.00066 554.242      9.88274  567.372      9.88307  309.386     40.8184     25.5772     40.8184     
1 1 1 8  11 11 o 196.809 2.17693 204.046      6.58579  218.282      6.60418  221.413     60.5636     88.6909     60.5635     
1 1 1 8  11 12 o 150.138 2.32649 119.491      5.60125  126.317      5.12962  142.761     108.241     18.8318     108.241     
1 1 1 8  11 13 o 305.819 1.93163 505.496      8.81907  513.837      9.36978  288.267     17.6984     11.3319     17.6984     
1 1 1 8  11 14 o 103.881 2.0397  60.6302      3.24875  57.117       3.26774  70.7199     200.447     38.9754     20.447      
1 1 1 8  11 15 o 157.374 1.92767 133.63       4.66473  136.327      4.67801  126.743     182.278     30.646      2.27801     
1 1 1 8  11 16 o 174.651 1.91545 172.352      5.16335  160.249      5.13542  195.364     154.788     77.8353     154.788     
1 1 1 8  11 17 o 145.29  2.08172 111.34       4.65233  118.884      4.65904  129.706     196.513     0.356292    196.512     
1 1 1 8  11 18 o 201.685 1.90869 227.802      5.92857  215.727      5.92402  225.025     122.489     85.6417     122.489     
1 1 1 8  11 19 o 26.3641 3.7721  4.19643      1.47644  3.68668      1.48075  18.3776     32.7866     49.8889     32.7866     
1 1 1 8  11 20 o 89.3224 2.12196 43.6062      2.91441  43.5074      2.91467  69.4238     150.608     10.2784     330.608     
1 1 1 8  11 21 o 176.402 1.95317 169.962      5.30999  169.354      5.30119  155.107     345.041     9.65126     165.041     
1 1 1 8  11 22 o 240.415 1.92604 313.018      7.12961  317.265      7.13103  195.959     320.119     48.6998     140.119     
1 1 1 8  11 23 o 229.465 1.93844 282.069      6.84106  292.192      6.85659  275.064     254.302     132.439     254.302     
1 1 1 8  11 24 o 17.4769 4.18098 0.0899813    1.46989  2.54704      1.46979  13.8533     67.4201     33.6003     67.4201     
1 1 1 8  11 25 o 154.644 2.01111 128.496      4.77851  132.394      4.79928  122.481     71.7377     34.3555     251.738     
1 1 1 8  11 26 o 206.725 2.02535 226.555      6.62369  239.808      6.25105  226.512     207.383     78.6095     207.383     
1 1 1 8  11 27 o 91.7741 2.30342 48.3568      3.3827   43.7846      3.11919  96.4423     38.9342     36.7663     38.9342     
1 1 1 8  11 28 o 40.5002 3.75364 9.02436      2.41101  9.28879      2.1429   14.3413     351.651     30.1737     171.651     
1 1 1 8  11 29 o 33.5613 4.94501 7.8372       2.77903  5.21041      2.18702  11.8162     190.322     6.75299     10.3218     
1 1 1 8  11 30 o 78.0504 2.85669 36.1017      3.5832   30.9425      3.26221  67.1941     40.3627     0.722609    220.363     
1 1 1 8  11 31 o 46.6117 3.58599 10.5725      2.22128  13.7483      2.85463  28.6209     149.068     15.1432     329.068     
1 1 1 8  11 32 o 53.9258 3.55717 16.6977      2.91984  15.6829      2.91721  34.7052     197.953     19.6384     17.9531     
1 1 1 8  11 33 o 107.168 2.38373 62.8818      4.09912  63.1988      3.74965  101.225     240.84      12.2896     240.84      
1 1 1 8  11 34 o 110.192 2.11768 71.0383      3.59106  62.3033      3.57801  97.5255     245.39      1.39411     65.3898     
1 1 1 8  11 35 o 49.2993 2.90946 12.4347      2.24836  14.6483      2.09886  39.852      229.385     3.30523     49.3851     
1 1 1 8  11 36 o 58.8674 2.54788 20.5076      2.28764  17.914       2.29994  60.3769     85.2316     19.1099     85.2316     
1 1 1 8  11 37 o 55.759  3.1925  15.8763      2.90451  19.0716      2.43639  51.6317     0.683394    6.64249     0.683395    
1 1 1 8  11 38 o 35.3683 4.0017  6.12816      1.95887  8.47189      2.25071  26.6522     136.424     4.73735     316.424     
1 1 1 8  11 39 o 31.3227 4.16585 6.57471      1.84116  5.01127      2.00613  27.9202     291.376     8.87526     291.376     
1 1 1 8  11 40 o 20.2992 4.55974 3.57675      1.69762  0.820954     1.79593  8.56603     291.749     8.82204     111.749     
1 1 1 8  11 41 o 45.3406 3.19248 10.0843      2.23016  13.4201      2.09873  40.5527     160.864     3.51994     160.864     
1 1 1 8  11 42 o 16.3177 4.45709 -0.359774    1.68982  2.10794      1.71922  6.88357     241.486     2.14642     61.4862     
1 1 1 8  11 43 o 71.4585 2.56165 30.3955      2.71351  27.0668      2.88383  75.6475     137.421     26.2184     137.421     
1 1 1 8  11 44 o 39.7758 3.39259 9.23092      2.03951  9.23323      2.03257  37.033      292.727     7.2829      292.727     
1 1 1 8  11 45 o 32.7266 3.99764 7.21461      1.92589  5.77986      1.94237  34.9257     188.623     21.2061     188.623     
1 1 1 8  11 46 o 36.842  3.82675 8.79701      2.14706  7.54433      2.06096  31.3097     6.63424     1.65696     6.63426     
1 1 1 8  11 47 o 18.2711 4.91158 3.5515       2.2474   -0.729212    2.00685  6.48007     270.045     12.5337     90.0454     
1 1 1 8  11 48 o 26.7888 5.26447 5.4973       2.35921  4.45564      2.14683  25.1795     342.35      11.5093     342.35      
1 1 1 8  11 49 o 27.8051 5.78761 4.89523      2.64054  6.62015      2.69783  20.0038     259.24      5.015       79.24       
1 1 1 8  11 50 o 45.7551 4.19644 9.23157      2.68607  18.1474      2.76666  43.9644     269.209     10.4896     269.209     
1 1 1 8  11 51 o 22.5222 5.24317 3.21962      1.98182  4.26837      2.23809  12.1594     4.76663     10.6129     184.767     
1 1 1 8  11 52 o 19.3362 5.00417 4.56902      2.15526  -1.29307     2.76534  6.20196     257.026     18.0973     77.0262     
1 1 1 8  11 53 o 12.5001 4.16114 -2.12109     2.07017  -0.195888    2.10103  4.08341     255.414     7.34672     75.4138     
1 1 1 8  11 54 f 22.2362 5.35672 3.54707      2.0734   4.55941      2.32364  11.8644     33.8943     0           0           
1 1 1 8  11 55 o 15.6339 4.79881 -0.0327493   2.20194  2.19839      2.20878  7.43019     355.421     6.13654     175.421     
1 1 1 8  11 56 o 13.9775 4.45794 1.16835      1.97783  -0.815698    2.22272  3.93645     16.6541     3.41122     196.654     
1 1 1 8  11 57 o 17.4494 5.09853 2.04453      2.20899  2.5365       2.24998  6.62889     224.213     6.56483     44.2132     
1 1 1 8  11 58 o 14.8069 4.62422 1.77088      2.0668   0.512016     2.12031  4.72374     310.549     8.2271      130.549     
1 1 1 8  11 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  12 0  o 190.547 1.91447 197.863      5.61489  197.863      5.61489  208.232     180         60.943      180         
1 1 1 8  12 1  o 102.084 2.04518 57.1234      3.20894  56.5345      3.21446  92.2648     35.2254     34.3711     35.2254     
1 1 1 8  12 2  o 272.839 2.04911 406.298      7.97967  404.941      9.19362  313.882     245.886     129.734     245.886     
1 1 1 8  12 3  o 349.913 1.95926 664.215      10.2149  670.019      10.891   331.092     122.262     15.766      122.262     
1 1 1 8  12 4  o 297.33  2.10039 489.386      9.99538  474.164      9.23322  306.844     291.806     67.3149     291.806     
1 1 1 8  12 5  o 161.862 2.06013 140.597      5.1357   144.952      5.1331   208.97      146.126     168.569     146.126     
1 1 1 8  12 6  o 57.8465 2.50303 19.9086      2.2249   16.7805      2.20202  18.2255     137.732     124.974     137.732     
1 1 1 8  12 7  o 357.499 2.17617 695.36       11.9794  697.77       11.9807  408.964     18.0491     158.904     18.0491     
1 1 1 8  12 8  o 175.357 2.19975 162.707      5.93449  172.575      5.94184  108.609     313.338     101.298     133.338     
1 1 1 8  12 9  o 204.933 2.02067 231.631      6.37934  226.14       6.37347  195.175     313.924     17.8932     313.924     
1 1 1 8  12 10 o 126.216 2.20922 92.2071      4.15812  81.6894      4.39542  139.681     218.348     65.4816     218.348     
1 1 1 8  12 11 o 92.4661 2.31323 42.4535      3.18382  51.0918      3.3877   60.3615     235.913     35.8023     55.9132     
1 1 1 8  12 12 o 185.618 1.97981 188.113      5.84655  187.451      5.46552  121.796     193.468     94.7118     13.4676     
1 1 1 8  12 13 o 441.164 1.88156 1060.43      12.7921  1060.93      12.7724  466.321     211.226     117.667     211.226     
1 1 1 8  12 14 o 107.524 2.03683 64.5481      3.37752  61.6059      3.36036  77.407      217.905     31.2018     37.9048     
1 1 1 8  12 15 o 98.6104 2.08691 50.9383      3.15362  55.2279      3.17401  85.081      133.568     6.45392     133.568     
1 1 1 8  12 16 o 124.98  1.99886 88.9921      3.85378  81.3985      3.8351   82.0031     237.73      57.0434     57.7295     
1 1 1 8  12 17 o 244.569 1.88096 333.269      7.0864   318.905      7.07892  240.34      160.627     34.8919     160.627     
1 1 1 8  12 18 o 346.185 1.96126 639.407      10.7836  667.492      10.0971  363.847     254.656     92.4978     254.656     
1 1 1 8  12 19 o 139.792 1.98046 105.562      4.26523  107.54       4.26092  116.384     8.24963     16.8912     188.25      
1 1 1 8  12 20 o 91.4803 2.1659  47.6756      3.05536  43.7586      3.0348   74.7679     215.813     6.80867     35.8131     
1 1 1 8  12 21 o 271.686 1.91261 402.961      8.00583  401.961      7.9976   293.429     31.5225     90.7329     31.5225     
1 1 1 8  12 22 o 169.893 1.98148 154.995      5.18028  159.821      5.18666  166.658     28.4026     26.9533     28.4026     
1 1 1 8  12 23 o 23.183  4.35804 3.02689      1.58846  3.08088      1.57651  7.02052     42.6025     21.7233     42.6025     
1 1 1 8  12 24 o 18.9887 4.48513 1.58376      1.53495  2.13752      1.55724  9.31224     359.107     23.707      359.107     
1 1 1 8  12 25 o 60.049  2.55778 19.5374      2.36049  20.0006      2.34743  28.1406     250.338     42.0672     70.338      
1 1 1 8  12 26 o 141.793 2.29686 111.34       4.79005  108.237      5.22371  169.728     335.173     88.282      335.173     
1 1 1 8  12 27 o 121.866 2.49567 78.9489      4.19469  83.5809      5.13782  119.594     297.288     22.2556     297.288     
1 1 1 8  12 28 o 16.8797 4.42757 2.08703      1.58346  -0.285168    1.73641  12.7449     301.634     35.8667     301.634     
1 1 1 8  12 29 o 102.399 2.36416 55.4163      3.56603  59.4554      3.88066  68.0302     343.508     45.9444     163.508     
1 1 1 8  12 30 o 88.7881 2.6546  40.4819      3.60933  46.1974      3.62171  84.2938     108.735     14.5757     108.735     
1 1 1 8  12 31 o 141.013 2.29686 111.415      5.20718  106.438      4.7661   128.681     235.822     5.28241     235.822     
1 1 1 8  12 32 o 107.292 2.35674 66.0911      4.04813  60.3501      3.73185  102.14      152.016     14.4398     152.016     
1 1 1 8  12 33 o 21.2307 4.95532 2.85551      1.93782  2.04732      1.84087  7.03043     277.656     40.6861     277.656     
1 1 1 8  12 34 o 130.03  2.47724 87.155       5.33263  99.2589      4.46638  135.46      326.86      39.0403     326.86      
1 1 1 8  12 35 o 36.6397 3.35915 6.97527      1.83878  8.24481      1.85087  34.7375     8.67219     23.7565     8.67219     
1 1 1 8  12 36 o 70.3369 2.38569 25.8632      2.5692   28.9044      2.57779  64.2249     151.739     4.94859     151.739     
1 1 1 8  12 37 o 58.9319 2.57853 21.1637      2.32538  17.5468      2.31571  57.8151     66.0272     13.6633     66.0272     
1 1 1 8  12 38 o 48.8565 2.90111 15.9756      2.13571  11.0633      2.12634  40.4722     290.66      2.86979     110.66      
1 1 1 8  12 39 o 52.4955 2.87625 13.8736      2.27466  17.2005      2.32141  49.2893     264.828     8.44085     264.828     
1 1 1 8  12 40 o 14.6896 4.25467 1.23846      1.58662  -0.464808    1.60171  1.66044     164.631     10.1463     344.631     
1 1 1 8  12 41 o 13.2281 4.16193 -0.0153623   1.71986  -0.926421    1.71797  1.81989     253.969     4.01302     73.9689     
1 1 1 8  12 42 o 28.1517 4.58359 7.30575      1.98586  2.59042      2.1273   26.8269     200.051     10.2506     200.051     
1 1 1 8  12 43 o 27.0422 4.73415 2.85716      1.86132  6.52341      2.19161  23.6431     99.952      7.11071     99.952      
1 1 1 8  12 44 o 62.1843 2.73918 22.4943      2.69627  21.5191      2.5234   57.3477     251.26      7.28386     251.26      
1 1 1 8  12 45 o 27.9711 4.65015 5.28818      2.04998  4.63349      1.88983  21.2656     25.4649     0.859677    205.465     
1 1 1 8  12 46 o 33.3481 4.65165 6.36883      2.28285  7.85978      2.32311  34.1188     13.4266     16.3518     13.4266     
1 1 1 8  12 47 o 25.5577 4.76706 3.15215      1.93222  5.59175      1.97638  7.19003     172.515     27.3592     352.515     
1 1 1 8  12 48 o 53.6658 3.62547 18.783       2.9641   16.4874      2.94332  50.1427     8.25873     8.53773     8.25873     
1 1 1 8  12 49 f 19.1465 5.3701  2.98461      2.26664  1.20823      2.62031  22.6825     110.396     0           0           
1 1 1 8  12 50 o 17.4101 4.93464 0.883216     1.99766  2.47336      2.09607  8.00688     112.623     7.79806     292.623     
1 1 1 8  12 51 o 15.1056 4.63401 -0.391714    2.05995  1.5148       2.03764  7.19272     342.197     4.4458      162.197     
1 1 1 8  12 52 o 19.9346 5.22582 2.67341      1.99725  3.33268      2.26592  13.679      224.559     2.84788     44.5586     
1 1 1 8  12 53 o 13.7923 4.50523 -0.102456    2.07438  -0.426494    2.41738  5.21757     51.8039     0.457055    231.804     
1 1 1 8  12 54 o 34.7859 4.63707 8.66035      2.46405  8.86095      2.31741  32.3516     41.8535     7.98404     41.8535     
1 1 1 8  12 55 o 17.6859 5.00448 2.46212      2.07026  2.21989      2.06307  10.3648     280.73      2.73177     280.73      
1 1 1 8  12 56 o 31.69   4.93307 8.29544      2.32929  7.13079      2.36003  31.2176     46.6004     16.1853     46.6004     
1 1 1 8  12 57 o 15.8382 4.84253 2.20894      2.13324  0.878812     2.27419  4.11627     230.587     0.411069    50.5872     
1 1 1 8  12 58 o 14.2235 4.51338 1.95238      2.09783  -0.468622    2.14638  5.89824     213.625     5.69565     33.6252     
1 1 1 8  13 0  o 180.217 1.93021 177.024      5.35384  177.024      5.35384  206.082     3.76633e-06 77.8121     3.76633e-06 
1 1 1 8  13 1  o 199.169 1.98051 213.285      5.87539  219.088      6.27106  179.631     119.219     1.56885     299.219     
1 1 1 8  13 2  o 202.985 1.91165 219.207      5.96637  229.909      5.98211  235.112     67.6206     105.748     67.6206     
1 1 1 8  13 3  o 76.2439 2.1651  28.889       2.52132  34.7187      2.53728  41.2327     313.528     37.8975     133.528     
1 1 1 8  13 4  o 94.1127 2.13854 48.3538      3.00028  48.3006      3.18717  54.3346     249.737     51.2146     69.7366     
1 1 1 8  13 5  o 325.154 1.96966 584.131      9.52571  568.281      10.1773  299.065     180.906     0.110487    180.906     
1 1 1 8  13 6  o 166.853 1.93766 164.579      4.98363  139.384      4.9504   142.058     235.065     16.1068     55.0649     
1 1 1 8  13 7  o 168.507 2.05676 148.957      5.33109  160.684      5.33721  125.854     346.041     52.487      166.041     
1 1 1 8  13 8  o 151.577 2.07521 120.027      4.84104  130.555      4.84006  141.171     358.551     12.8358     358.551     
1 1 1 8  13 9  o 154.13  1.93219 132.503      4.59203  126.479      4.57829  170.146     71.998      69.3416     71.998      
1 1 1 8  13 10 o 130.37  2.20326 91.1508      4.61464  94.2547      4.21056  147.733     213.139     74.4335     213.139     
1 1 1 8  13 11 o 98.6273 2.16036 53.7095      3.28236  52.4654      3.27161  89.3859     18.9519     17.4377     18.9519     
1 1 1 8  13 12 o 237.375 1.93211 300.744      7.28499  313.599      6.82017  211.11      126.454     9.8858      306.454     
1 1 1 8  13 13 o 72.7232 2.19309 27.8708      2.44233  29.93        2.45636  49.8321     321.732     3.83738     141.732     
1 1 1 8  13 14 o 92.7765 2.06689 43.915       2.93955  50.142       2.94959  88.8337     142.381     36.0983     142.381     
1 1 1 8  13 15 o 76.5354 2.15524 31.369       2.53694  32.6256      2.53222  59.5845     254.413     4.75663     254.413     
1 1 1 8  13 16 o 67.3495 2.3034  23.854       2.37511  25.7662      2.38612  10.9115     337.408     136.026     337.408     
1 1 1 8  13 17 o 34.957  3.19566 6.24813      1.68026  7.35203      1.66765  15.4239     28.3027     72.476      28.3027     
1 1 1 8  13 18 o 160.655 1.95494 138.384      4.83339  143.095      4.83836  112.228     4.73623     65.4338     184.736     
1 1 1 8  13 19 o 72.9459 2.25424 31.5105      2.52396  26.7564      2.51571  51.0866     74.4126     18.8728     254.413     
1 1 1 8  13 20 o 119.844 2.15096 78.7315      3.80189  78.0137      4.12504  57.8658     201.838     98.5158     21.8379     
1 1 1 8  13 21 o 169.204 1.97784 155.961      5.15169  156.311      5.15506  170.316     223.522     37.1698     223.522     
1 1 1 8  13 22 f 16.0484 4.29301 0.633236     1.45591  1.34265      1.47702  13.722      124.595     0           0           
1 1 1 8  13 23 o 72.0513 2.56853 28.2201      2.82741  28.6394      2.85384  47.4173     253.222     25.2912     73.2218     
1 1 1 8  13 24 o 53.404  3.00052 14.96        2.18774  16.4572      2.69907  24.5335     225.192     35.9845     45.1921     
1 1 1 8  13 25 o 186.466 2.12022 197.186      6.09663  182.591      6.07332  188.754     112.649     41.8725     112.649     
1 1 1 8  13 26 o 32.8759 4.09354 4.91627      1.96958  7.44288      1.99063  10.0706     89.6343     5.81422     269.634     
1 1 1 8  13 27 o 150.38  2.10592 121.405      5.03044  125.711      4.71079  133.472     19.8227     2.48832     199.823     
1 1 1 8  13 28 o 35.9612 4.37644 5.79328      2.10011  9.10043      2.57669  8.08187     101.185     35.8437     281.185     
1 1 1 8  13 29 o 163.533 2.29449 143.897      5.77681  148.931      5.77801  154.233     287.227     16.0594     287.227     
1 1 1 8  13 30 o 71.1911 2.38534 24.5811      2.58815  31.3051      2.5982   71.2884     332.754     23.0402     332.754     
1 1 1 8  13 31 o 102.746 2.59209 55.9821      4.44644  60.2104      3.67017  67.9158     213.627     46.2872     33.6267     
1 1 1 8  13 32 o 67.939  2.75613 25.7748      2.71015  25.2611      3.0197   76.1006     304.006     37.8803     304.006     
1 1 1 8  13 33 o 98.2261 2.31494 50.8722      3.48207  55.4112      3.50727  88.671      217.869     3.59719     217.87      
1 1 1 8  13 34 o 55.0358 2.87018 17.7238      2.41429  16.0401      2.41139  66.1594     167.228     40.6209     167.228     
1 1 1 8  13 35 o 63.9514 2.667   23.2458      2.59681  22.215       2.6306   52.49       246.193     6.64231     66.1927     
1 1 1 8  13 36 o 41.777  3.51206 9.66255      2.40874  10.2244      1.97331  37.6292     316.112     5.92674     316.112     
1 1 1 8  13 37 o 16.1318 4.47033 1.2931       1.69366  0.696433     1.54762  1.28046     113.787     3.22624     293.787     
1 1 1 8  13 38 o 36.156  3.8269  7.2686       2.20443  7.9279       1.89044  15.0053     110.323     31.0479     290.323     
1 1 1 8  13 39 f 43.8594 3.35835 12.1682      2.32996  9.89728      2.13099  38.0625     57.7039     0           0           
1 1 1 8  13 40 o 34.9036 3.97727 7.19676      1.9591   7.1868       2.16472  25.1452     290.82      8.51236     110.82      
1 1 1 8  13 41 o 57.6552 2.80316 18.4038      2.53395  19.2544      2.40674  51.9307     234.887     3.9512      234.887     
1 1 1 8  13 42 o 71.9676 2.68645 31.6363      2.96156  27.0602      2.95686  63.9857     341.954     2.91414     341.954     
1 1 1 8  13 43 o 15.6754 4.55733 1.43279      1.78365  -0.133988    1.85248  2.79961     234.661     12.9712     54.6613     
1 1 1 8  13 44 o 16.4256 4.53955 -0.809661    1.94538  2.28847      1.75125  4.28699     355.091     10.5913     175.091     
1 1 1 8  13 45 o 24.4012 5.37632 3.98361      2.13926  3.98937      2.33937  13.0828     290.27      11.4174     110.27      
1 1 1 8  13 46 o 33.7185 4.9254  9.44225      2.34551  5.73438      2.60003  29.2425     10.2347     3.82469     10.2347     
1 1 1 8  13 47 o 27.7333 5.11873 3.41391      2.13672  7.48662      2.45598  21.1601     262.365     2.05271     82.3649     
1 1 1 8  13 48 o 18.5267 5.11626 0.281621     2.2182   3.40018      2.27532  11.8594     328.526     4.78552     328.526     
1 1 1 8  13 49 o 28.7107 4.7927  5.03911      2.10086  6.3989       2.08551  24.9122     317.602     4.56852     317.602     
1 1 1 8  13 50 o 14.3737 4.4541  0.81873      1.87851  -0.0031349   1.91444  5.98057     191.439     2.31596     11.4388     
1 1 1 8  13 51 o 15.12   4.63932 0.50972      1.97809  1.10765      2.0325   8.86331     167.019     2.10007     167.019     
1 1 1 8  13 52 o 13.6234 4.32581 -1.72463     1.98792  1.29931      1.98185  5.42939     125.264     0.592751    305.264     
1 1 1 8  13 53 o 34.3718 4.75367 10.3308      2.29594  7.01403      2.51506  29.2971     326.687     2.50154     326.687     
1 1 1 8  13 54 o 13.9197 4.47329 1.13538      2.11438  -1.04969     2.17816  5.22994     134.17      0.997375    314.17      
1 1 1 8  13 55 o 20.103  5.51506 4.67507      2.69099  2.48269      2.21074  9.97023     132.948     3.20078     132.948     
1 1 1 8  13 56 o 13.6836 4.40271 -0.0929541   2.01386  0.688311     2.06343  1.40116     326.508     1.93886     146.508     
1 1 1 8  13 57 o 13.6784 4.4343  -0.596615    2.13865  1.36546      2.15733  3.94459     142.333     1.20205     322.333     
1 1 1 8  13 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  14 0  o 300.317 1.90441 491.402      8.80546  491.402      8.80546  318.822     180         83.8687     180         
1 1 1 8  14 1  o 134.639 1.9806  99.9974      4.11173  97.6213      4.10069  83.5218     120.983     72.0047     300.983     
1 1 1 8  14 2  o 360.1   1.90165 693.299      10.5434  720.278      10.5436  375.89      239.005     92.8265     239.005     
1 1 1 8  14 3  o 218.14  1.91199 265.295      6.43023  253.47       6.41289  186.605     116.436     22.1356     296.436     
1 1 1 8  14 4  o 131.966 1.96856 98.3082      4.00704  91.5983      3.99054  131.479     42.099      34.7716     42.099      
1 1 1 8  14 5  o 83.3076 2.11709 41.4812      2.71283  34.4515      2.69398  59.3632     175.417     13.7625     355.417     
1 1 1 8  14 6  o 161.673 2.07648 152.004      5.17899  133.294      5.14556  152.874     86.042      18.6271     86.042      
1 1 1 8  14 7  o 205.007 2.04407 224.23       6.45258  234.06       6.45093  193.056     346.332     16.7018     346.332     
1 1 1 8  14 8  o 86.007  2.11528 37.1977      2.78118  43.6927      2.80102  42.1079     250.16      59.4429     70.1598     
1 1 1 8  14 9  o 190.708 1.98873 184.225      6.00026  212.822      5.62426  198.343     1.8073      55.9067     1.8073      
1 1 1 8  14 10 o 177.186 2.15623 158.916      6.09238  183.928      5.60457  190.749     211.225     67.3316     211.225     
1 1 1 8  14 11 o 202.069 1.85463 211.269      5.75406  234.169      5.77755  227.95      3.40953     94.7327     3.40953     
1 1 1 8  14 12 o 168.089 1.85658 145.266      4.79087  163.015      4.80925  171.894     220.684     45.1537     220.684     
1 1 1 8  14 13 o 83.2907 2.06941 37.8679      2.66118  37.8826      2.6389   67.8175     168.113     1.77413     168.113     
1 1 1 8  14 14 o 224.636 1.92626 279.635      6.66935  270.633      6.65601  186.116     133.425     34.7475     313.425     
1 1 1 8  14 15 o 123.292 1.94325 87.0697      3.69344  78.7953      3.67911  92.444      213.968     33.1293     33.9681     
1 1 1 8  14 16 o 186.545 2.1154  180.358      5.31248  199.481      6.8117   184.307     120.797     32.9591     120.797     
1 1 1 8  14 17 o 147.888 1.87371 118.978      4.26877  119.512      4.26524  117.656     52.7807     29.2362     232.781     
1 1 1 8  14 18 o 15.6634 4.09899 1.23354      1.31248  0.835576     1.31853  28.7036     29.4761     65.9132     29.4761     
1 1 1 8  14 19 o 99.0644 2.10162 56.9293      3.19522  50.335       3.19994  79.765      100.742     11.7551     280.742     
1 1 1 8  14 20 o 100.53  2.35664 54.6501      3.29886  55.8067      3.96314  85.6781     341.021     2.0023      161.021     
1 1 1 8  14 21 o 160.638 2.05348 146.668      4.90031  135.03       5.23299  152.801     301.742     19.1698     301.742     
1 1 1 8  14 22 f 36.7451 3.38636 6.54715      1.84403  8.55969      1.86885  49.6956     250.005     0           0           
1 1 1 8  14 23 o 90.4875 2.20843 39.3988      3.04549  50.4674      3.06628  76.1003     75.2858     4.56988     255.286     
1 1 1 8  14 24 f 24.2412 4.5569  1.99458      1.78834  4.67882      1.81942  25.7674     264.312     0           0           
1 1 1 8  14 25 o 81.3952 2.44508 34.3839      3.05533  38.2657      3.05307  69.0597     226.366     2.21882     46.3655     
1 1 1 8  14 26 o 37.7957 3.32173 7.29668      1.88163  8.67142      1.88854  19.0136     29.6945     8.17499     209.695     
1 1 1 8  14 27 o 60.843  3.20983 19.0056      3.21354  21.9868      2.67305  41.6875     22.7354     17.6135     202.735     
1 1 1 8  14 28 o 26.3242 5.14225 3.23421      2.52911  4.59698      1.88633  10.1995     64.8417     55.7014     64.8417     
1 1 1 8  14 29 o 42.7472 3.00348 9.68926      1.94247  10.6395      1.95619  25.8346     308.228     14.7446     128.228     
1 1 1 8  14 30 o 158.397 2.14412 137.022      5.22411  138.039      5.23545  150.361     115.027     18.8003     115.027     
1 1 1 8  14 31 o 76.2955 2.46929 30.6708      2.89127  33.5408      2.89091  68.1897     256.121     3.82307     256.122     
1 1 1 8  14 32 o 66.3365 2.41833 23.6279      2.45052  24.9804      2.47256  63.4998     178.028     12.3893     178.028     
1 1 1 8  14 33 o 34.051  3.97524 4.81464      1.95695  8.83815      1.96477  31.4195     230.26      12.2606     230.26      
1 1 1 8  14 34 o 17.5858 4.47167 2.56156      1.67105  -0.0253211   1.68745  2.46339     93.3713     4.15592     273.371     
1 1 1 8  14 35 o 41.5317 3.43508 12.0546      1.98287  7.79692      2.16982  30.0185     268.387     9.73059     88.3874     
1 1 1 8  14 36 o 13.3625 4.15984 -0.564567    1.64557  -0.0579548   1.6837   1.20467     154.823     10.2333     154.823     
1 1 1 8  14 37 o 45.6538 3.29617 10.099       2.35608  13.7584      2.10044  26.1869     31.2984     25.7396     211.298     
1 1 1 8  14 38 o 21.8427 4.70483 2.13634      1.82087  3.48706      1.70648  13.8591     38.0168     0.752981    218.017     
1 1 1 8  14 39 o 48.5165 3.03304 13.5714      2.2508   13.1985      2.23439  36.8467     284.439     9.93155     104.439     
1 1 1 8  14 40 o 53.6326 2.91275 15.0938      2.38122  17.6756      2.37962  49.7895     154.088     7.41871     154.088     
1 1 1 8  14 41 o 28.0122 4.56076 4.98261      2.0146   4.78699      1.83891  17.9187     158.678     8.88757     338.678     
1 1 1 8  14 42 o 28.5575 4.71046 6.89132      2.22991  3.59517      1.90645  8.18748     335.601     30.4573     155.601     
1 1 1 8  14 43 o 39.551  4.31264 11.2516      2.49158  8.02519      2.52223  33.5307     119.981     1.78176     119.981     
1 1 1 8  14 44 o 27.4097 5.16443 3.66227      2.09387  6.45772      2.4206   15.767      202.829     11.8884     22.8293     
1 1 1 8  14 45 o 13.1716 4.22429 -0.499085    1.72764  -0.471282    1.97417  1.89245     139.388     6.24586     319.388     
1 1 1 8  14 46 o 33.3735 4.53141 7.94369      2.20852  6.65218      2.27164  33.456      3.02536     13.2798     3.02536     
1 1 1 8  14 47 o 20.8943 5.4772  4.30527      2.51799  1.6054       2.32833  13.0087     127.347     5.38751     307.347     
1 1 1 8  14 48 o 23.0423 5.36611 4.27814      2.18578  3.51447      2.25228  17.7672     49.3386     2.04636     49.3386     
1 1 1 8  14 49 o 18.4409 4.72179 3.90011      1.93323  -0.389934    2.13198  10.9796     322.507     4.03622     142.507     
1 1 1 8  14 50 o 17.1105 4.94927 1.36717      1.96334  2.1696       2.18162  12.0349     155.012     0.928759    155.013     
1 1 1 8  14 51 o 16.4173 4.88918 2.00322      1.93766  0.681903     2.42155  8.90998     83.178      4.771       263.178     
1 1 1 8  14 52 o 21.2402 5.30867 2.89126      2.18519  4.44909      2.22049  15.573      205.803     0.042833    205.802     
1 1 1 8  14 53 o 19.2013 5.26054 2.69516      2.22738  3.30683      2.22266  11.2888     5.00323     5.32924     185.003     
1 1 1 8  14 54 o 15.306  4.68706 -0.402712    1.98797  2.4596       2.2158   3.93175     142.241     1.63142     322.241     
1 1 1 8  14 55 o 14.4697 4.62758 0.921958     2.15548  0.225948     2.27855  2.18302     102.013     2.58646     282.013     
1 1 1 8  14 56 o 14.8007 4.66503 1.94355      2.19645  0.342505     2.16323  5.41309     126.761     1.46192     306.761     
1 1 1 8  14 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  15 0  o 123.284 2.0166  82.9372      3.82376  82.9372      3.82376  133.739     360         41.9192     360         
1 1 1 8  15 1  o 200.79  1.9262  208.787      5.94029  231.042      5.9607   183.674     143.025     7.62073     143.025     
1 1 1 8  15 2  o 165.391 1.93779 159.198      4.94074  139.364      4.91503  156.124     101.876     19.7355     101.876     
1 1 1 8  15 3  o 169.47  2.01609 154.087      5.4273   159.093      5.08308  128.72      255.999     44.8758     75.999      
1 1 1 8  15 4  o 230.359 1.91174 283.186      6.77572  295.421      6.78509  176.702     316.303     62.6969     136.303     
1 1 1 8  15 5  o 258.38  1.90792 371.993      7.59737  355.957      7.5825   212.092     283.202     43.5941     103.202     
1 1 1 8  15 6  o 128.094 2.12007 89.1914      4.18251  89.7562      4.18115  121.607     358.653     22.109      358.653     
1 1 1 8  15 7  o 214.957 2.05693 251.149      6.81104  252.744      6.80618  225.08      295.214     64.7432     295.214     
1 1 1 8  15 8  o 107.38  2.05774 62.8968      3.40624  62.9412      3.39256  85.5736     338.616     12.717      158.616     
1 1 1 8  15 9  o 228.957 2.02021 294.622      7.14189  277.175      7.0996   219.359     31.1073     26.1575     31.1073     
1 1 1 8  15 10 o 298.528 1.91131 495.413      8.50048  476.41       9.0502   289.704     36.55       38.3763     36.5501     
1 1 1 8  15 11 o 167.354 1.96909 155.945      5.08586  149.513      5.0619   148.738     50.9906     1.36272     230.991     
1 1 1 8  15 12 o 70.6191 2.14194 29.7879      2.4326   24.826       2.21527  59.8543     174.553     34.546      174.553     
1 1 1 8  15 13 o 145.147 2.0107  117.193      4.72941  112.606      4.25438  89.1052     151.852     81.3261     331.852     
1 1 1 8  15 14 o 64.2912 2.2677  23.9975      2.44947  21.2579      2.02575  25.5469     175.099     54.8575     355.099     
1 1 1 8  15 15 o 179.62  2.3004  172.838      6.27582  179.274      6.45019  188.171     265.885     55.934      265.885     
1 1 1 8  15 16 o 148.425 2.25456 118.846      4.93478  121.571      5.36648  138.512     356.609     14.0258     356.609     
1 1 1 8  15 17 o 79.1502 2.29579 33.2986      2.89581  35.2095      2.67619  75.9131     185.053     26.4408     185.053     
1 1 1 8  15 18 o 197.215 2.31629 216.715      7.03327  207.949      7.0331   207.196     359.191     62.3368     359.191     
1 1 1 8  15 19 o 96.277  2.08518 51.8419      3.1649   49.4254      3.01105  43.8999     82.6648     80.6001     262.665     
1 1 1 8  15 20 o 136.291 1.91696 97.5792      4.01091  105.165      4.032    124.03      201.917     7.0161      201.917     
1 1 1 8  15 21 o 194.426 2.06387 195.213      5.6532   217.793      6.70375  192.97      18.4121     38.0822     18.4121     
1 1 1 8  15 22 o 92.233  2.32844 46.2986      3.30058  46.7933      3.30287  60.2219     131.597     41.2934     311.597     
1 1 1 8  15 23 o 90.4987 2.31597 45.0803      3.21634  44.5815      3.22783  94.0413     176.322     33.0623     176.322     
1 1 1 8  15 24 o 61.4108 3.05744 23.7838      3.22193  18.0144      2.5365   56.9755     122.143     16.4576     122.143     
1 1 1 8  15 25 o 116.214 2.10402 72.3478      3.75999  75.4614      3.76319  69.5904     72.5155     66.1355     252.516     
1 1 1 8  15 26 o 70.8538 2.52662 27.3965      2.72848  27.7928      2.7672   58.9997     129.056     1.35337     309.056     
1 1 1 8  15 27 o 82.4769 2.63728 35.8932      3.23038  38.999       3.45248  63.6669     4.20533     15.3339     184.205     
1 1 1 8  15 28 o 50.705  2.71139 14.5932      2.09435  13.8548      2.1068   35.398      359.328     12.3881     179.328     
1 1 1 8  15 29 o 65.783  2.50824 24.5948      2.62296  23.1531      2.44033  44.6212     349.845     24.0428     169.845     
1 1 1 8  15 30 o 22.1462 4.76514 3.62564      1.71143  1.78294      1.98415  5.52571     357.39      9.59896     177.39      
1 1 1 8  15 31 o 66.0643 2.52669 21.0157      2.44337  27.5101      2.66803  60.3766     94.5173     6.33442     94.5173     
1 1 1 8  15 32 o 37.4763 3.30501 7.56431      1.85335  8.36085      1.87513  36.844      72.5643     15.6579     72.5643     
1 1 1 8  15 33 o 44.7495 2.97193 10.201       1.99551  12.3436      2.04022  34.2957     233.167     6.80386     53.1673     
1 1 1 8  15 34 o 27.9552 4.43275 4.11658      1.94859  5.20151      1.78165  20.8628     179.31      1.90005     179.31      
1 1 1 8  15 35 f 30.6545 4.40271 6.84635      2.07413  4.45424      1.94664  49.8142     32.3922     0           0           
1 1 1 8  15 36 o 35.8143 3.75882 8.23609      1.89832  6.70401      2.07574  33.955      231.879     11.0256     231.879     
1 1 1 8  15 37 o 30.9284 4.24461 5.62288      1.85496  5.80833      2.04123  14.1368     164.139     22.9928     344.139     
1 1 1 8  15 38 o 62.6416 2.98026 23.1706      2.71307  21.3344      2.97846  52.2063     178.933     4.07908     358.933     
1 1 1 8  15 39 o 18.7152 4.70916 2.72257      1.7664   0.972034     1.77538  7.03316     203.191     12.7837     23.1911     
1 1 1 8  15 40 o 38.7922 3.98475 11.4614      2.14317  6.79558      2.2888   33.375      112.767     2.71178     112.767     
1 1 1 8  15 41 o 24.4857 4.76881 4.53111      1.86372  3.07278      1.8996   16.9116     229.788     1.81167     49.7883     
1 1 1 8  15 42 o 27.809  4.59593 6.88649      2.07295  3.10187      1.91378  23.5841     283.443     6.46153     283.443     
1 1 1 8  15 43 o 43.2218 4.0557  10.6862      2.60506  12.2223      2.65114  51.7669     160.41      35.1446     160.41      
1 1 1 8  15 44 o 49.8542 3.61337 14.1003      2.73039  15.9986      2.72661  48.369      249.631     13.0915     249.631     
1 1 1 8  15 45 o 16.4563 4.90872 1.5087       2.28304  0.57222      1.97341  8.19999     216.366     3.57378     36.366      
1 1 1 8  15 46 o 15.018  4.7327  0.535597     2.21441  -0.274821    2.23363  6.00138     92.1257     7.12836     272.126     
1 1 1 8  15 47 o 23.0712 5.3447  4.08679      2.14223  3.72493      2.24838  18.0909     166.067     3.17826     166.067     
1 1 1 8  15 48 o 20.3313 5.12678 3.00888      2.02262  2.94586      2.02664  15.4383     296.801     4.53791     296.801     
1 1 1 8  15 49 o 17.6816 4.88597 0.815552     2.08031  2.97917      1.96831  10.1036     102.594     5.98724     282.594     
1 1 1 8  15 50 o 16.7897 4.86834 1.38802      1.9923   2.06206      2.03992  10.749      127.733     2.70374     127.733     
1 1 1 8  15 51 o 14.7443 4.62341 1.19719      2.19611  0.142536     1.98257  6.26774     160.627     0.21411     160.627     
1 1 1 8  15 52 o 15.7488 4.73357 0.350132     2.04785  2.24883      2.06463  8.16106     224.445     1.13921     224.445     
1 1 1 8  15 53 o 14.7717 4.66241 1.00497      2.0944   0.509766     2.23931  3.68835     97.7661     2.37768     277.766     
1 1 1 8  15 54 o 13.3904 4.41121 0.0615262    2.12031  -0.604284    2.34055  1.04036     216.349     3.17269     36.3492     
1 1 1 8  15 55 o 17.0846 5.07313 3.30336      2.16484  1.16183      2.6479   5.74931     296.308     1.60813     296.308     
1 1 1 8  15 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  16 0  o 13.6829 5.01364 1.49299      1.36435  1.49299      1.36435  8.1862      4.92535e-05 17.787      4.92535e-05 
1 1 1 8  16 1  o 200.316 1.93096 213.804      5.94396  223.801      5.96687  145.752     72.4111     67.9839     252.411     
1 1 1 8  16 2  o 122.427 2.0248  83.0559      3.82369  80.4133      3.81022  116.941     141.539     22.3859     141.539     
1 1 1 8  16 3  o 132.522 2.01259 95.6294      4.11285  95.8969      4.10127  134.163     21.0813     38.1086     21.0813     
1 1 1 8  16 4  o 217.393 1.98593 261.875      6.87204  253.542      6.42258  241.346     176.335     94.1918     176.335     
1 1 1 8  16 5  o 207.096 1.99506 231.216      6.16332  236.528      6.55908  193.978     330.547     16.9539     330.547     
1 1 1 8  16 6  o 70.3893 2.47775 29.2358      2.81339  25.0583      2.54312  49.9923     129.453     11.7708     309.453     
1 1 1 8  16 7  o 57.9928 2.43246 19.8085      2.22736  17.0774      2.09626  31.01       14.2145     26.2299     194.214     
1 1 1 8  16 8  o 59.1046 2.38737 20.058       2.25589  18.2136      2.07294  43.2473     13.6008     10.7611     13.6008     
1 1 1 8  16 9  f 74.7188 2.3146  30.2895      2.6713   30.7519      2.64165  98.8568     140.504     0           0           
1 1 1 8  16 10 o 233.017 2.05695 283.6        7.04522  308.925      7.71959  203.922     185.975     10.8253     5.97496     
1 1 1 8  16 11 o 112.072 2.29346 63.4554      3.69278  73.9219      4.22028  70.5538     78.9906     55.1963     258.991     
1 1 1 8  16 12 o 121.484 2.44402 83.4212      4.58386  77.8687      4.54802  94.0844     71.7564     24.6597     251.756     
1 1 1 8  16 13 o 138.469 2.51838 103.781      5.60759  105.67       5.10991  127.762     242.31      12.2875     242.31      
1 1 1 8  16 14 o 156.101 2.3575  130.015      5.65937  136.041      5.67255  149.415     73.3696     23.232      73.3696     
1 1 1 8  16 15 o 164.005 2.337   146.132      5.9054   147.544      5.8986   146.352     13.0736     2.06528     13.0736     
1 1 1 8  16 16 o 103.261 2.5807  65.176       4.10975  51.8538      4.05011  65.8985     44.4104     47.9277     224.41      
1 1 1 8  16 17 o 18.1796 4.99729 0.877936     2.00895  1.39322      2.0149   6.05824     75.4556     15.944      75.4556     
1 1 1 8  16 18 o 144.509 2.41591 118.049      5.39558  110.202      5.35315  107.922     299.346     40.4661     119.346     
1 1 1 8  16 19 o 120.67  2.47641 76.861       4.58534  82.5154      4.60439  108.503     114.245     4.87668     114.244     
1 1 1 8  16 20 o 32.8398 4.80018 6.97385      2.34609  5.41997      2.34941  10.1067     179.919     11.9628     359.919     
1 1 1 8  16 21 o 87.8845 3.00259 42.9196      4.04567  41.9823      4.05671  92.2368     206.697     35.6066     206.697     
1 1 1 8  16 22 o 54.4115 2.75147 17.8286      2.28773  14.8565      2.27779  21.4432     300.117     47.1833     120.117     
1 1 1 8  16 23 o 28.7024 3.91199 4.52971      1.66655  4.87636      1.66572  2.13389     171.593     24.5067     351.593     
1 1 1 8  16 24 o 65.7429 2.70987 26.2934      2.38088  21.4335      2.96236  65.1793     63.7122     24.7487     63.7122     
1 1 1 8  16 25 o 20.681  4.5953  3.02436      1.66683  1.6449       1.66586  0.845586    59.8081     5.54217     59.8081     
1 1 1 8  16 26 o 112.912 2.27734 68.297       4.09461  71.6685      3.80195  121.204     258.638     45.7354     258.638     
1 1 1 8  16 27 o 51.0113 2.80498 15.1455      2.18631  13.7295      2.18155  44.3567     11.1918     6.0152      11.1918     
1 1 1 8  16 28 o 23.6571 4.39688 3.44954      1.63038  3.0879       1.61711  6.50564     25.8853     14.5061     205.885     
1 1 1 8  16 29 o 33.2018 4.1377  5.5957       2.09952  7.19735      1.94521  27.2988     283.604     5.89141     283.604     
1 1 1 8  16 30 o 22.6862 4.67659 2.80767      1.65511  3.22555      1.81339  9.33698     210.586     0.0463073   210.586     
1 1 1 8  16 31 o 66.597  2.76049 21.0623      2.9747   28.592       2.50942  58.2124     47.807      1.54924     47.8069     
1 1 1 8  16 32 o 27.2825 4.32319 4.28401      1.7997   4.54956      1.74319  8.24615     54.9701     26.7055     234.97      
1 1 1 8  16 33 o 68.8884 2.44102 26.1109      2.58321  26.6489      2.57892  57.962      345.997     3.01459     165.997     
1 1 1 8  16 34 o 24.863  4.64512 3.16963      1.69998  4.32803      1.92275  12.2153     131.795     12.6901     311.795     
1 1 1 8  16 35 o 52.8634 3.01801 17.8952      2.39966  13.8235      2.4309   51.9594     307.238     14.4311     307.238     
1 1 1 8  16 36 o 58.3042 2.88498 19.23        2.55298  19.1624      2.59442  50.4348     212         0.727622    212         
1 1 1 8  16 37 o 79.0237 2.75838 34.9855      3.11292  35.4555      3.56483  66.0125     341.005     4.80586     161.005     
1 1 1 8  16 38 o 20.5858 4.92423 2.79358      1.72519  2.17907      2.0317   11.194      161.486     6.31284     341.486     
1 1 1 8  16 39 o 45.7358 3.51847 11.1413      2.37106  13.4373      2.49636  35.573      25.9689     5.6939      205.969     
1 1 1 8  16 40 o 22.4115 4.77645 5.15506      2.08655  0.955353     1.88943  14.3818     92.0438     1.30951     272.044     
1 1 1 8  16 41 o 51.9671 3.28904 15.7267      2.64031  15.8458      2.56696  41.1001     153.317     5.40111     333.317     
1 1 1 8  16 42 o 24.1483 5.07012 2.17413      2.25802  5.40506      2.09613  12.3105     219.002     12.3725     39.002      
1 1 1 8  16 43 o 48.3003 3.66488 15.1698      2.6549   13.2325      2.69297  48.9852     104.465     17.6145     104.465     
1 1 1 8  16 44 o 24.3379 5.15678 5.54617      2.13912  2.67456      2.28239  19.429      103.942     2.09176     103.942     
1 1 1 8  16 45 o 13.2851 4.33119 -0.91194     2.15429  -0.547493    1.96625  4.04072     176.262     5.17206     356.262     
1 1 1 8  16 46 o 22.8271 5.26704 5.15639      2.22711  2.34664      2.272    18.3782     296.666     5.96287     296.666     
1 1 1 8  16 47 o 31.5337 4.65638 7.30049      2.17318  6.45705      2.2031   30.172      288.296     10.4611     288.296     
1 1 1 8  16 48 o 26.4143 4.93644 7.70561      2.18754  2.69589      2.41131  22.4031     13.1372     3.1171      13.1372     
1 1 1 8  16 49 o 23.113  5.3427  3.84518      2.27924  4.69771      2.14249  18.6735     294.019     2.82153     294.019     
1 1 1 8  16 50 o 18.8761 4.97943 0.649792     2.24349  4.16345      2.08269  13.694      265.191     3.65409     265.191     
1 1 1 8  16 51 o 14.1627 4.53733 0.537128     2.212    0.200612     2.0486   5.97755     315.684     2.07327     135.684     
1 1 1 8  16 52 o 15.934  4.86122 2.04955      2.24147  0.826159     2.12862  5.88409     113.59      3.56768     293.59      
1 1 1 8  16 53 o 20.5172 5.42814 3.37966      2.19799  4.08815      2.42271  11.5128     304.094     1.54375     124.094     
1 1 1 8  16 54 f 11.8796 4.00947 0.638598     2.14043  -3.43679     2.05824  5.86886     139.202     0           0           
1 1 1 8  16 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  17 0  o 18.1292 5.33296 2.52779      1.48503  2.52779      1.48503  4.4526      0.000186262 10.9404     0.000186262 
1 1 1 8  17 1  o 182.636 2.02737 180.07       5.88621  183.762      5.50664  182.533     57.1937     41.353      57.1937     
1 1 1 8  17 2  o 260.426 1.91928 374.379      7.70561  365.266      7.68738  258.281     44.7368     50.4812     44.7368     
1 1 1 8  17 3  o 84.2828 2.20488 38.2369      2.85075  39.3786      2.86232  72.7504     230.863     6.84548     230.863     
1 1 1 8  17 4  o 104.144 2.09668 56.8951      3.34931  61.5626      3.36536  91.5783     259.91      5.26327     259.91      
1 1 1 8  17 5  o 85.1771 2.29057 38.4083      3.00371  40.9009      2.99142  47.1139     45.393      50.5417     225.393     
1 1 1 8  17 6  o 59.0086 2.58249 18.0315      2.2837   20.1667      2.38554  42.0346     18.0063     13.1966     18.0063     
1 1 1 8  17 7  o 181.425 2.04694 184.71       5.50405  174.429      5.91072  195.555     67.5296     70.8171     67.5296     
1 1 1 8  17 8  o 95.8987 2.66637 54.5834      3.60408  46.205       4.16573  78.0553     294.825     6.43284     114.825     
1 1 1 8  17 9  o 57.0593 2.65904 20.0976      2.43306  15.7557      2.20903  26.2866     76.954      35.1762     256.954     
1 1 1 8  17 10 o 190.677 2.31227 202.732      6.80051  194.227      6.77627  174.212     88.5438     10.3024     88.5438     
1 1 1 8  17 11 o 124.674 2.44698 90.4334      4.70278  79.6286      4.67127  96.1699     312.189     25.2605     132.189     
1 1 1 8  17 12 o 34.409  4.49473 8.55672      2.28585  5.05899      2.26308  0.614919    111.055     34.5244     291.055     
1 1 1 8  17 13 o 81.5901 2.74966 35.4166      3.44435  37.5424      3.44274  67.5825     15.3305     0.843791    195.331     
1 1 1 8  17 14 o 192.499 2.33244 202.071      6.91379  202.673      6.91416  164.65      96.8246     12.6647     276.825     
1 1 1 8  17 15 o 39.0027 4.17035 7.66666      2.40978  9.48703      2.42245  16.6643     29.6574     6.21918     209.657     
1 1 1 8  17 16 o 146.914 2.40604 122.836      5.45221  113.189      5.4283   114.749     89.383      30.268      269.383     
1 1 1 8  17 17 o 57.88   3.22188 20.642       2.83391  16.4506      2.83212  51.1091     308.419     12.253      308.419     
1 1 1 8  17 18 o 203.22  2.3207  232.117      7.28487  219.561      7.2368   180.681     94.6774     0.657096    94.6776     
1 1 1 8  17 19 o 68.9534 2.98273 26.5807      3.14405  25.7831      3.15894  68.6731     6.88725     26.6152     6.88725     
1 1 1 8  17 20 o 50.8997 3.89858 14.3581      3.01819  14.5806      2.9953   30.2329     71.3212     19.4959     251.321     
1 1 1 8  17 21 o 53.6204 3.87726 20.709       3.08059  11.9968      3.03116  16.4347     117.759     55.6474     297.759     
1 1 1 8  17 22 o 88.7237 2.68171 47.0289      3.65059  39.7135      3.64064  81.4534     169.032     11.3178     169.032     
1 1 1 8  17 23 o 38.7485 4.46078 8.90915      2.56112  8.25839      2.57616  3.36756     1.73859     54.8942     181.739     
1 1 1 8  17 24 o 92.1951 2.60107 41.5339      3.56946  52.3823      3.78517  60.8824     23.4151     38.4582     203.415     
1 1 1 8  17 25 o 34.187  3.97412 5.28721      1.75377  8.24469      2.29827  22.6216     285.83      0.579578    285.83      
1 1 1 8  17 26 o 26.3172 4.59192 4.82957      1.9241   3.33555      1.79827  8.79799     70.4683     18.1269     250.468     
1 1 1 8  17 27 o 55.1491 2.73885 19.0666      2.46488  14.8544      2.15814  41.9689     357.722     9.81927     177.722     
1 1 1 8  17 28 o 52.1641 2.99236 16.9442      2.42297  13.5756      2.32841  27.8617     132.762     33.5147     312.762     
1 1 1 8  17 29 o 42.0737 3.27981 8.71364      2.0249   11.3872      2.1343   26.12       226.858     18.0433     46.8581     
1 1 1 8  17 30 o 43.4345 3.00834 10.6105      1.97316  10.629       1.99942  37.5547     27.6286     3.50838     27.6286     
1 1 1 8  17 31 o 21.2412 4.59565 2.67488      1.63112  2.6153       1.65598  7.79169     84.8291     12.4096     264.829     
1 1 1 8  17 32 o 13.7732 4.11462 0.727897     1.51012  -0.515661    1.55719  2.9355      264.463     19.1582     264.463     
1 1 1 8  17 33 f 39.2587 3.35647 10.0636      1.96411  7.66912      1.97241  34.8329     134.813     0           0           
1 1 1 8  17 34 o 26.5836 4.56252 3.42836      1.75849  5.23133      1.96648  6.16557     209.85      30.852      29.8503     
1 1 1 8  17 35 o 41.4232 3.28929 9.25691      2.05409  10.4925      2.062    27.8043     262.587     14.532      82.5866     
1 1 1 8  17 36 o 20.4426 4.78894 3.31801      1.7477   1.40683      1.94136  13.2139     48.3441     0.985191    48.3441     
1 1 1 8  17 37 o 45.478  3.15482 11.2027      2.16233  12.686       2.19358  37.5638     63.6378     0.968869    243.638     
1 1 1 8  17 38 o 63.6423 2.85337 23.7063      2.78032  22.554       2.78205  63.8819     43.4391     20.1278     43.4391     
1 1 1 8  17 39 o 52.196  3.37052 18.1266      2.37733  13.7831      2.8246   43.1891     110.494     1.19538     290.494     
1 1 1 8  17 40 o 37.7642 4.57017 9.11333      2.39977  8.81516      2.70736  23.4964     294.764     15.089      114.764     
1 1 1 8  17 41 o 35.3962 5.08442 9.39657      2.65431  7.24651      2.69636  30.7368     180.333     4.8805      180.333     
1 1 1 8  17 42 o 42.075  3.97956 13.6736      2.57572  8.61014      2.36732  40.3498     328.604     11.5821     328.604     
1 1 1 8  17 43 o 17.1622 5.08995 3.11168      2.59881  -1.44821     2.27597  10.1131     304.655     0.215789    304.655     
1 1 1 8  17 44 o 29.9403 5.00736 6.93059      2.27237  5.5782       2.28765  22.4794     350.538     2.84773     170.538     
1 1 1 8  17 45 o 39.6704 4.6501  10.7656      2.55932  10.4894      2.89845  35.9204     3.36514     7.46203     3.36514     
1 1 1 8  17 46 o 32.7383 4.55706 7.8985       2.19445  6.82189      2.23307  24.0695     295.461     4.95442     115.461     
1 1 1 8  17 47 o 18.3747 5.01337 1.8729       2.01202  2.80084      2.03459  12.0072     221.552     2.43446     41.5524     
1 1 1 8  17 48 o 15.8617 4.71228 2.02234      1.9701   0.463539     2.01636  6.21531     316.477     9.8098      136.477     
1 1 1 8  17 49 o 18.3537 5.13492 2.29748      2.1943   2.71792      2.1198   12.3967     232.069     3.87646     232.069     
1 1 1 8  17 50 o 26.1516 5.13289 3.84504      2.20321  7.30797      2.28408  19.2212     22.2363     1.99148     202.236     
1 1 1 8  17 51 o 15.0911 4.67862 0.594578     2.08829  1.44397      2.09399  3.92139     147.852     2.62203     327.852     
1 1 1 8  17 52 o 16.7951 4.85237 3.50068      2.17139  -0.0419057   2.12742  5.31666     333.977     1.88529     153.977     
1 1 1 8  17 53 o 16.2895 4.88688 0.130033     2.39515  3.29428      2.19145  7.44978     304.261     1.89717     124.261     
1 1 1 8  17 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  18 0  o 551.465 1.95541 1657.41      16.6043  1657.41      16.6043  551.872     180         115.897     180         
1 1 1 8  18 1  o 150.715 2.0394  129.796      4.74783  118.193      4.71228  134.693     284.81      5.72814     284.81      
1 1 1 8  18 2  o 157.983 2.06366 134.064      4.86903  138.305      5.17103  160.973     38.6905     46.0097     38.6904     
1 1 1 8  18 3  o 183.272 2.14658 178.96       5.57056  187.684      6.52766  170.068     254.646     17.1114     254.646     
1 1 1 8  18 4  o 120.331 2.26772 77.9241      3.83074  80.2256      4.54694  101.715     31.6498     4.63238     211.65      
1 1 1 8  18 5  f 250.349 2.07006 351.032      7.99737  333.048      7.95996  162.231     252.67      0           0           
1 1 1 8  18 6  o 130.138 2.10935 89.0747      4.34172  95.8276      4.09556  80.4414     92.3021     67.0078     272.302     
1 1 1 8  18 7  o 76.258  2.39771 32.6993      2.92367  30.9531      2.69342  47.2821     325.623     32.7986     145.623     
1 1 1 8  18 8  o 110.029 2.65412 74.234       3.91582  58.7034      4.85465  97.9288     245.661     6.56874     245.661     
1 1 1 8  18 9  o 60.4288 3.09153 21.6535      2.8538   18.5909      2.84756  22.5279     52.0882     54.3571     232.088     
1 1 1 8  18 10 o 130.756 2.43894 96.4554      4.92217  90.5575      4.88812  122.977     333.719     18.0773     333.719     
1 1 1 8  18 11 o 162.28  2.36947 146.465      5.93508  141.34       5.90624  165.551     171.073     46.0018     171.073     
1 1 1 8  18 12 o 70.7607 2.86943 26.1868      3.11529  28.8467      3.10539  42.375      102.451     34.9167     282.451     
1 1 1 8  18 13 o 205.168 2.31441 221.761      7.28878  238.504      7.32946  202.673     110.509     42.6963     110.509     
1 1 1 8  18 14 o 125.682 2.56505 91.079       5.2113   82.0488      4.71029  134.421     220.158     50.9195     220.158     
1 1 1 8  18 15 o 182.586 2.34344 184.359      6.59672  180.305      6.58061  182.25      16.523      43.1355     16.523      
1 1 1 8  18 16 o 46.3346 3.8081  12.5535      2.56473  11.4443      2.74775  33.1582     291.152     9.73437     291.152     
1 1 1 8  18 17 f 121.383 2.43887 80.7459      4.55549  80.7424      4.55254  85.897      289.136     0           0           
1 1 1 8  18 18 o 73.4761 3.22746 30.0453      3.63049  29.6117      3.63666  66.5695     244.005     11.9642     244.005     
1 1 1 8  18 19 o 144.288 2.67836 115.948      5.95741  112.793      5.93371  161.297     256.542     71.8462     256.542     
1 1 1 8  18 20 o 27.2397 5.21838 2.86537      2.13992  5.83089      2.4566   3.75003     222.54      19.0989     42.54       
1 1 1 8  18 21 o 20.6332 5.05046 1.52537      1.94423  2.80524      2.01732  0.596015    294.6       6.17689     294.6       
1 1 1 8  18 22 o 46.3471 4.00815 14.3555      2.80715  10.1221      2.7271   33.0519     157.446     7.3984      337.446     
1 1 1 8  18 23 o 29.3849 5.38454 4.67389      2.55621  5.54084      2.37397  8.73849     210.764     24.7212     30.7641     
1 1 1 8  18 24 o 58.6921 3.35346 22.6959      3.21124  16.1352      2.78795  49.7762     273.537     0.887371    273.537     
1 1 1 8  18 25 f 55.1777 3.66709 14.741       3.12465  19.806       2.93297  33.9645     217.884     0           0           
1 1 1 8  18 26 o 63.3113 2.98974 23.48        2.88272  21.2936      2.90622  60.6379     315.967     13.7395     315.967     
1 1 1 8  18 27 o 22.5907 5.25048 1.73803      2.36258  3.7826       2.04899  9.72971     52.8264     1.19101     232.826     
1 1 1 8  18 28 o 18.0174 4.91165 0.944143     1.49476  1.95685      2.33985  2.79568     282.956     13.2934     102.956     
1 1 1 8  18 29 o 81.1236 2.58395 34.8153      3.0625   38.482       3.37868  76.9394     47.8755     14.5213     47.8755     
1 1 1 8  18 30 o 19.9714 4.53058 3.1292       1.62263  1.29668      1.67473  7.67533     70.227      6.8524      250.227     
1 1 1 8  18 31 o 54.3096 2.88097 18.1754      2.24582  15.0873      2.48641  56.1837     277.64      21.6976     277.64      
1 1 1 8  18 32 o 58.5079 2.65523 21.3914      2.38869  17.1146      2.35019  49.9854     260.004     0.511263    260.004     
1 1 1 8  18 33 o 35.8726 3.63544 7.19632      1.91987  7.81665      1.98126  37.635      129.614     17.8358     129.614     
1 1 1 8  18 34 o 23.0561 4.70758 3.77684      1.77858  2.77294      1.7786   12.116      8.46502     11.1482     188.465     
1 1 1 8  18 35 o 47.0036 3.06815 12.2128      2.17839  13.1624      2.21143  39.0381     324.103     0.563413    144.103     
1 1 1 8  18 36 f 13.9476 4.27203 -0.365136    1.71456  0.460374     1.69371  19.766      25.7234     0           0           
1 1 1 8  18 37 o 50.2761 3.03235 13.6815      2.32359  15.4711      2.31815  47.4378     189.577     11.448      189.577     
1 1 1 8  18 38 o 37.9264 3.8805  9.21431      2.10377  8.14213      2.26946  32.9008     288.871     4.80669     288.871     
1 1 1 8  18 39 o 23.9301 5.14835 5.76532      2.25931  1.52866      2.33543  15.7916     320.294     2.78071     140.294     
1 1 1 8  18 40 o 15.2802 4.84826 -0.420705    2.09891  0.284348     2.60648  1.84735     74.1693     15.8726     254.169     
1 1 1 8  18 41 o 15.2086 4.54634 -1.08827     1.85329  1.91148      2.02289  5.50996     27.206      7.20136     207.206     
1 1 1 8  18 42 o 48.4579 4.08224 16.1046      2.76774  13.6928      3.1116   38.9742     289.798     2.79829     109.798     
1 1 1 8  18 43 o 23.6361 5.52003 4.60597      2.60849  3.72457      2.06376  19.4958     162.907     6.31885     162.907     
1 1 1 8  18 44 o 18.8757 5.19934 -0.60829     2.41286  4.3143       2.48157  9.83738     274.509     6.31439     94.5092     
1 1 1 8  18 45 o 22.8542 5.27509 4.73336      2.09705  3.19207      2.294    14.7087     2.25642     5.55306     182.256     
1 1 1 8  18 46 o 18.8482 5.00638 4.48981      2.2987   0.120801     2.06813  14.4646     130.256     6.06838     130.256     
1 1 1 8  18 47 o 21.0894 5.17654 4.50167      2.1166   2.47081      2.13678  13.9551     115.163     8.99623     115.163     
1 1 1 8  18 48 o 15.9714 4.80728 1.03149      2.04316  1.79313      2.11326  8.20197     70.5097     1.14263     70.5097     
1 1 1 8  18 49 o 17.3965 4.99927 1.82596      2.06688  2.55847      2.1376   10.3071     194.704     1.84633     194.704     
1 1 1 8  18 50 o 21.7051 5.28736 2.78476      2.23073  5.17704      2.23178  13.2151     202.184     5.16692     202.184     
1 1 1 8  18 51 o 25.9984 5.25368 7.53278      2.33898  3.99898      2.33787  21.3362     28.1925     8.94055     28.1925     
1 1 1 8  18 52 o 20.2093 5.3373  3.04703      2.26168  4.79963      2.2931   12.6063     14.2696     2.08762     194.27      
1 1 1 8  18 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  19 0  o 99.5465 2.16829 54.186       3.31664  54.186       3.31664  128.84      180         80.9671     180         
1 1 1 8  19 1  o 104.911 2.33081 61.8187      4.05097  58.5877      3.46088  131.362     263.176     89.5377     263.176     
1 1 1 8  19 2  o 176.016 2.15241 165.127      6.24028  173.291      5.37124  147.298     107.191     14.7962     287.191     
1 1 1 8  19 3  o 45.2196 2.90381 12.9281      2.01173  9.75529      1.96106  28.8251     120.117     4.82567     300.117     
1 1 1 8  19 4  f 113.789 2.26338 68.8581      3.69024  72.7512      4.22787  78.8088     162.927     0           0           
1 1 1 8  19 5  o 251.252 2.0835  332.526      8.05191  357.115      8.0629   287.651     67.6321     132.423     67.6321     
1 1 1 8  19 6  o 55.0256 2.5534  17.7948      2.1549   15.5053      2.14102  42.0835     307.262     1.49643     127.262     
1 1 1 8  19 7  o 125.144 2.49551 86.2727      4.81812  85.1647      4.79041  126.366     149.928     36.193      149.928     
1 1 1 8  19 8  o 12.9567 4.25477 -2.03403     1.83207  -1.37623     2.21139  16.5961     75.5018     38.9588     75.5018     
1 1 1 8  19 9  o 72.6417 2.84363 26.373       3.12548  31.7475      3.19623  65.5656     278.208     11.8921     278.208     
1 1 1 8  19 10 f 29.0675 5.13412 5.2289       2.16694  4.51115      2.42973  13.6613     28.5835     0           0           
1 1 1 8  19 11 o 62.9522 3.22139 24.5143      2.89875  19.397       3.21877  49.4679     140.445     2.46759     320.445     
1 1 1 8  19 12 o 100.508 2.72428 60.4782      4.48716  50.6494      3.93603  105.416     179.75      40.8892     179.75      
1 1 1 8  19 13 o 73.1284 3.0528  24.9884      3.52786  34.3387      3.17885  62.7591     87.9789     5.25721     87.9789     
1 1 1 8  19 14 o 191.478 2.32378 203.503      6.86943  198.011      6.83365  173.832     137.47      12.4987     137.47      
1 1 1 8  19 15 o 83.3081 2.86047 38.7321      3.49154  37.7135      3.81302  65.3257     14.4248     10.2247     194.425     
1 1 1 8  19 16 o 49.8519 3.42197 14.1933      2.60317  13.5001      2.58369  39.2445     236.318     3.71306     236.318     
1 1 1 8  19 17 o 132.305 2.83526 88.2384      5.49366  104.877      6.04812  123.54      67.0781     17.7218     67.0781     
1 1 1 8  19 18 o 42.0199 4.31072 11.6279      2.66444  8.58581      2.69145  28.3692     98.3836     5.5501      278.384     
1 1 1 8  19 19 o 71.7216 2.98418 26.6702      3.38879  30.3606      3.13973  67.3658     36.8548     14.7293     36.8548     
1 1 1 8  19 20 o 21.268  5.25257 1.2786       2.18584  3.21912      2.17402  6.35125     279.359     39.7769     279.359     
1 1 1 8  19 21 o 54.7397 3.70434 16.0903      3.17983  17.6753      2.96551  58.3598     276.547     29.2746     276.547     
1 1 1 8  19 22 o 25.0105 5.16797 3.07499      2.23547  4.21834      2.04509  11.1744     331.76      9.85915     151.76      
1 1 1 8  19 23 o 36.547  4.20418 7.05707      2.25861  8.43367      2.30197  34.5179     229.69      15.344      229.69      
1 1 1 8  19 24 o 18.0172 4.92891 2.32284      2.0502   -0.211161    2.05792  0.463341    24.3069     20.1347     204.307     
1 1 1 8  19 25 o 68.3938 3.06773 26.1563      3.34425  26.2241      3.07737  62.9945     277.545     9.7715      277.545     
1 1 1 8  19 26 o 54.0786 3.52988 14.8985      3.04044  18.3975      2.68031  52.7197     67.9669     15.6133     67.9669     
1 1 1 8  19 27 o 71.8788 3.76469 31.7211      3.65628  27.3274      4.47338  68.7143     296.639     15.3471     296.639     
1 1 1 8  19 28 o 49.2091 3.50564 14.565       2.59149  13.1152      2.63847  52.7992     48.8804     25.6604     48.8804     
1 1 1 8  19 29 o 48.8104 3.55056 15.1366      2.60763  12.2462      2.62214  41.0914     42.1547     0.989433    42.1547     
1 1 1 8  19 30 o 46.1165 3.6906  10.6874      2.5303   13.9983      2.57903  48.0555     310.219     20.5762     310.219     
1 1 1 8  19 31 o 17.8737 4.56345 2.24736      1.67875  1.02506      1.59738  7.52467     40.0196     8.86709     220.02      
1 1 1 8  19 32 o 28.616  4.46755 4.64068      1.8266   5.40141      2.00759  23.101      7.07587     1.57127     7.07588     
1 1 1 8  19 33 o 19.4772 4.72337 2.2753       1.71707  2.13864      1.69995  9.35385     258.641     7.23628     78.6412     
1 1 1 8  19 34 o 12.5864 3.99853 -0.884184    1.6146   -0.153612    1.6327   1.8066      188.47      15.5354     188.47      
1 1 1 8  19 35 o 29.2132 4.59817 4.36091      1.91111  6.42811      2.13832  23.248      67.1929     2.48481     67.1929     
1 1 1 8  19 36 o 19.4529 4.85672 1.76418      1.82815  2.6558       1.83003  7.92886     81.9464     9.13389     261.946     
1 1 1 8  19 37 o 12.2756 3.97137 -1.41452     1.70164  -0.265805    1.70022  0.276496    137.243     8.23207     137.243     
1 1 1 8  19 38 o 22.9182 5.14815 2.33929      2.10843  4.62444      2.12604  16.2768     58.3121     2.11841     58.3121     
1 1 1 8  19 39 o 45.524  3.71042 13.104       2.57552  12.2748      2.53033  49.0297     129.462     24.1411     129.462     
1 1 1 8  19 40 o 31.6372 4.86666 4.95966      2.42778  8.79321      2.23976  24.2947     96.6662     2.06504     276.666     
1 1 1 8  19 41 o 18.0337 5.14037 -0.990828    2.33037  3.64139      2.50119  8.20502     299.677     8.92061     119.677     
1 1 1 8  19 42 o 43.7924 4.20093 10.918       2.82871  14.0007      2.5708   40.6118     321.279     10.0833     321.279     
1 1 1 8  19 43 o 20.5419 5.54896 4.33459      2.54901  1.6439       2.54072  14.9346     249.818     3.96496     249.818     
1 1 1 8  19 44 o 30.2196 5.97097 6.06334      2.68133  9.05436      3.13211  24.8999     224.371     2.19436     224.371     
1 1 1 8  19 45 o 22.3442 5.49683 3.421        2.29764  4.70243      2.37346  17.8373     270.423     3.39694     270.423     
1 1 1 8  19 46 o 12.515  4.15014 -1.31617     2.026    -0.340622    2.02622  2.67896     54.7723     1.6334      234.772     
1 1 1 8  19 47 o 27.6676 5.25675 6.17579      2.24728  6.10885      2.32892  21.8848     308.832     1.29004     308.832     
1 1 1 8  19 48 f 31.0693 5.04851 7.86475      2.34453  7.14039      2.38892  26.0115     317.301     0           0           
1 1 1 8  19 49 o 28.1994 5.45589 6.68375      2.32315  6.62146      2.5641   22.2945     308.242     4.47007     308.242     
1 1 1 8  19 50 f 16.5943 4.96445 1.64434      2.13566  2.2708       2.24267  6.75228     14.4446     0           0           
1 1 1 8  19 51 o 16.5811 4.94745 3.00926      2.18521  1.35802      2.23379  7.8632      259.956     1.17823     259.956     
1 1 1 8  19 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  20 0  o 52.6486 2.92326 15.4245      2.33541  15.4245      2.33541  50.5047     180         14.0128     180         
1 1 1 8  20 1  o 94.5956 2.20435 48.8046      3.21037  49.1612      3.20282  71.7463     180.333     17.4631     0.332701    
1 1 1 8  20 2  o 130.943 2.13853 94.0099      4.48704  93.4615      4.13068  149.759     28.6618     75.717      28.6618     
1 1 1 8  20 3  o 133.957 2.25163 95.7317      4.98631  100.662      4.24691  127.173     143.835     23.3263     143.835     
1 1 1 8  20 4  o 21.3519 4.4012  2.18907      1.57233  2.94254      1.52159  13.8893     249.902     47.7918     249.902     
1 1 1 8  20 5  o 16.5531 4.14667 1.55421      1.34954  1.07712      1.30582  7.48519     21.5154     20.279      21.5154     
1 1 1 8  20 6  o 68.376  2.47195 25.7851      2.71475  25.559       2.46835  59.2357     19.1736     8.4322      19.1736     
1 1 1 8  20 7  o 43.6331 3.41319 13.5894      2.73858  8.00327      1.80382  25.2047     214.523     9.58678     34.5234     
1 1 1 8  20 8  o 80.432  3.02036 33.9885      3.64071  37.3642      3.81414  79.5209     97.6059     27.3557     97.6059     
1 1 1 8  20 9  o 92.6886 2.62762 44.4403      3.72416  50.0452      3.75284  87.8646     337.105     19.9263     337.105     
1 1 1 8  20 10 o 63.3957 2.96139 21.0974      2.85054  23.3183      2.89534  52.7347     29.6033     3.74504     29.6032     
1 1 1 8  20 11 o 119.074 2.47942 74.5537      4.54452  81.1713      4.53122  109.483     322.548     14.5468     322.548     
1 1 1 8  20 12 o 75.8056 2.75869 34.7872      3.20161  28.6898      3.19427  69.8263     228.583     14.1117     228.583     
1 1 1 8  20 13 o 65.0931 3.21948 23.2917      3.33704  23.7005      3.06717  55.4167     94.6073     4.39507     94.6074     
1 1 1 8  20 14 f 41.3048 3.95779 8.74367      2.3557   10.6132      2.54564  44.7405     129.343     0           0           
1 1 1 8  20 15 o 50.9672 4.40262 15.2964      3.78975  14.2264      2.9395   46.3049     128.91      14.3736     128.91      
1 1 1 8  20 16 o 139.946 3.06632 108.586      7.32449  108.168      5.78113  137.962     41.6891     34.1318     41.6891     
1 1 1 8  20 17 o 65.4909 3.44398 24.9772      3.56893  22.9829      3.3291   53.0236     290.172     3.70634     110.172     
1 1 1 8  20 18 o 25.855  5.12114 3.51934      2.03429  4.37308      2.21264  2.24757     139.678     33.3623     319.678     
1 1 1 8  20 19 o 23.9001 5.30661 2.87508      2.18357  3.69979      2.18604  2.64715     218.893     29.4797     38.8928     
1 1 1 8  20 20 o 35.5502 4.65764 6.09437      2.42355  8.84367      2.46732  28.199      231.968     1.82695     231.968     
1 1 1 8  20 21 o 20.567  4.90915 3.93238      2.1215   0.119253     1.9712   5.54805     68.5566     2.75586     248.557     
1 1 1 8  20 22 o 17.6482 4.86651 1.48943      1.87174  0.919075     1.96198  0.139917    38.3682     19.9666     218.369     
1 1 1 8  20 23 o 27.3265 5.49191 3.93762      2.22925  5.17497      2.6182   13.1792     211.552     14.0565     31.5515     
1 1 1 8  20 24 o 56.0283 3.66797 18.6519      2.96801  17.1764      3.2601   42.7317     194.139     8.47026     14.1386     
1 1 1 8  20 25 o 54.6375 3.41238 16.9475      2.94136  16.9958      2.73658  46.7403     211.243     2.40005     211.243     
1 1 1 8  20 26 o 23.8932 5.62285 4.15482      2.41869  2.48094      2.51539  11.0634     186.561     11.1526     6.56055     
1 1 1 8  20 27 o 52.7414 3.81694 19.0596      2.76147  13.2665      3.14398  50.6131     114.716     13.8822     114.716     
1 1 1 8  20 28 o 14.4606 4.48003 -0.11733     1.86317  -0.222954    1.94859  2.04083     191.251     5.59091     11.2515     
1 1 1 8  20 29 o 32.9119 4.7553  8.28241      2.32821  5.09813      2.33243  21.9842     67.7279     9.45047     247.728     
1 1 1 8  20 30 o 48.3744 3.67707 11.2153      2.63446  16.2891      2.66912  44.7555     14.0851     9.19756     14.0851     
1 1 1 8  20 31 o 31.6324 4.86172 6.75272      2.28031  5.77968      2.32326  18.8073     29.0345     12.9755     209.035     
1 1 1 8  20 32 o 33.0122 4.82259 5.42268      2.34323  8.3885       2.40711  22.1663     132.925     8.04443     312.925     
1 1 1 8  20 33 o 39.4626 4.2132  9.96357      2.44984  8.96345      2.50068  41.4647     296.588     21.7027     296.588     
1 1 1 8  20 34 o 21.1201 4.33385 4.94231      1.87293  0.38556      1.58366  9.60498     165.823     10.0652     345.823     
1 1 1 8  20 35 o 29.1174 4.40199 3.99192      1.92105  6.8128       1.93281  20.0956     39.4866     4.5492      219.487     
1 1 1 8  20 36 o 42.4305 3.51258 12.2772      2.23413  9.37668      2.22495  37.4935     224.296     6.23173     224.296     
1 1 1 8  20 37 o 13.7391 4.3634  -0.00941933  1.91276  -0.543025    1.94171  1.93184     18.1014     2.37779     198.101     
1 1 1 8  20 38 o 25.7662 4.92253 5.23254      2.02937  3.90199      2.00006  19.6873     187.97      0.276528    187.97      
1 1 1 8  20 39 o 24.8833 5.17904 4.39346      2.03705  4.42207      2.20102  23.0895     23.1907     12.4989     23.1907     
1 1 1 8  20 40 o 39.3231 4.62975 11.4275      2.65207  9.28456      2.7232   32.9657     245.49      2.58559     245.49      
1 1 1 8  20 41 f 13.559  4.30851 -1.93353     1.97988  1.01856      1.96257  5.96225     143.461     0           0           
1 1 1 8  20 42 o 24.0458 5.26516 2.91036      2.48772  5.7717       2.15395  22.1585     45.719      11.5208     45.719      
1 1 1 8  20 43 o 14.167  4.59109 0.43575      2.25207  -0.857461    2.31488  3.82529     171.985     0.876294    171.985     
1 1 1 8  20 44 o 24.6925 5.92304 5.55321      2.54671  5.11951      2.87233  12.7154     191.667     12.6077     11.6665     
1 1 1 8  20 45 o 13.0797 4.39065 -2.85178     1.94743  0.893865     2.6646   3.47517     54.9324     1.69566     234.932     
1 1 1 8  20 46 o 13.642  4.43214 0.802471     2.13697  -1.14788     2.20096  4.89652     338.455     3.91958     158.455     
1 1 1 8  20 47 o 16.3252 4.93436 0.620476     2.29437  2.46513      2.21633  5.31886     54.1578     9.05589     234.158     
1 1 1 8  20 48 o 14.668  4.61222 -0.423136    2.12769  1.73854      2.15701  2.05736     24.7169     7.97374     204.717     
1 1 1 8  20 49 o 15.7459 4.81039 2.44399      2.15541  0.602443     2.21803  4.82938     192.551     1.47991     12.5512     
1 1 1 8  20 50 o 21.9135 5.50919 4.80804      2.32341  4.74394      2.34962  15.3146     231.738     0.383766    51.7381     
1 1 1 8  20 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  21 0  o 232.337 1.97321 294.725      7.05733  294.725      7.05733  236.101     5.65005e-06 66.8913     5.65005e-06 
1 1 1 8  21 1  f 20.6592 4.0112  3.8136       1.43031  0.850419     1.47216  8.69443     268.473     0           0           
1 1 1 8  21 2  o 84.1446 2.46962 36.8681      2.93313  41.0025      3.45231  68.6685     25.8543     3.81752     205.854     
1 1 1 8  21 3  o 82.9414 2.43095 32.8027      2.84432  43.1448      3.3572   82.4831     99.7455     27.6989     99.7455     
1 1 1 8  21 4  o 95.1691 2.34229 51.4252      3.43565  48.0351      3.41668  111.184     175.771     65.0187     175.771     
1 1 1 8  21 5  o 65.0722 2.39524 23.002       2.39591  23.5765      2.38741  66.9204     81.4282     31.7744     81.4282     
1 1 1 8  21 6  o 20.685  5.35067 -0.488635    1.17365  5.405        3.51938  0.491302    338.945     3.70876     338.945     
1 1 1 8  21 7  o 86.0398 2.82654 42.9144      3.493    38.8088      3.93169  75.9443     99.3207     7.24224     99.3207     
1 1 1 8  21 8  o 124.553 2.42689 88.8001      4.65755  81.7596      4.63771  127.492     11.1203     42.0804     11.1203     
1 1 1 8  21 9  o 35.7543 4.11076 5.81713      2.14738  8.94854      2.16233  17.5668     236.097     16.1871     56.0969     
1 1 1 8  21 10 o 86.0514 2.75872 46.9064      3.8901   35.2704      3.39949  90.2184     353.711     36.4738     353.711     
1 1 1 8  21 11 o 60.2536 3.64842 18.5986      3.70176  22.1441      2.81979  43.8303     212.65      11.8263     32.65       
1 1 1 8  21 12 o 99.1445 2.82213 55.2389      4.73124  53.472       3.83194  92.0627     340.549     15.2987     340.549     
1 1 1 8  21 13 o 66.6763 3.18798 21.009       3.38612  28.8217      2.96447  66.7013     240.663     23.2186     240.663     
1 1 1 8  21 14 o 27.0362 4.89723 0.901525     2.42651  7.31695      2.31253  13.1285     89.6703     8.66291     269.67      
1 1 1 8  21 15 o 63.0436 3.358   22.7274      3.23737  21.813       3.23351  56.617      81.2961     7.78798     81.2961     
1 1 1 8  21 16 o 75.6872 2.8059  29.66        3.23719  34.0579      3.27024  63.368      309.462     1.6807      129.462     
1 1 1 8  21 17 o 112.273 2.61427 70.2814      4.32051  69.3481      4.69546  99.9389     358.806     7.4766      358.806     
1 1 1 8  21 18 o 19.2612 5.07486 0.934316     2.01422  2.43641      2.0901   4.12975     51.2771     5.17234     231.277     
1 1 1 8  21 19 f 24.4299 5.55572 2.98129      2.20486  4.03839      2.54783  30.2366     354.867     0           0           
1 1 1 8  21 20 o 26.4443 4.74239 6.84331      2.0835   1.17182      2.34241  17.3171     307.022     1.87486     307.022     
1 1 1 8  21 21 o 35.1923 4.38519 7.73713      2.25008  6.88157      2.32151  28.7074     158.597     3.48971     158.597     
1 1 1 8  21 22 o 74.2479 2.98386 30.2444      3.26396  31.675       3.53033  74.4731     204.225     24.1694     204.225     
1 1 1 8  21 23 o 26.9662 5.22086 5.66888      2.28109  3.23079      2.29239  19.0063     295.828     2.67461     295.828     
1 1 1 8  21 24 o 51.2053 3.48571 16.6728      2.71117  13.3979      2.68949  27.5111     312.151     30.513      132.151     
1 1 1 8  21 25 o 55.1191 4.05844 16.6212      3.21743  18.8013      3.57408  50.8042     306.196     10.1349     306.196     
1 1 1 8  21 26 o 21.3686 5.422   3.09749      2.13833  1.79782      2.50399  13.1432     5.27269     3.59499     5.27269     
1 1 1 8  21 27 o 23.8451 5.36671 3.52892      2.18061  3.49486      2.25583  19.1592     236.181     8.2135      236.181     
1 1 1 8  21 28 o 41.2553 4.07237 10.205       2.49751  10.0566      2.53515  35.7737     37.3176     4.40669     37.3176     
1 1 1 8  21 29 o 23.4682 5.25993 2.16705      2.16296  4.67774      2.25829  11.924      256.765     10.5158     76.7652     
1 1 1 8  21 30 o 18.007  5.06215 1.23604      2.09235  1.64089      2.11266  6.52091     72.3346     6.40017     252.335     
1 1 1 8  21 31 o 20.5312 5.4823  2.19509      2.54533  2.48904      2.21177  10.22       51.3807     0.397588    231.381     
1 1 1 8  21 32 o 21.628  5.59485 3.72281      2.63414  1.93775      2.26848  12.0039     219.849     0.0489701   39.8496     
1 1 1 8  21 33 o 20.5382 5.34938 2.74134      2.20921  2.32375      2.25475  2.34447     304.763     0.863558    304.763     
1 1 1 8  21 34 o 58.0939 3.45346 19.996       3.03846  20.1542      3.08313  64.6726     340.999     34.6597     340.999     
1 1 1 8  21 35 o 13.0806 4.28394 0.0207673    2.01346  -3.01051     2.27112  0.684364    204.84      12.0193     24.84       
1 1 1 8  21 36 o 37.1195 5.37548 11.8498      2.95642  7.48996      2.98864  29.1587     141.213     1.12831     321.212     
1 1 1 8  21 37 o 13.9268 4.22983 0.0488818    1.66655  0.7527       1.6183   4.68094     160.657     6.78738     340.657     
1 1 1 8  21 38 o 18.3274 6.07186 5.2568       5.45461  -1.09234     1.93864  7.54486     228.661     2.12071     228.661     
1 1 1 8  21 39 o 15.1314 4.66861 0.576557     2.0566   0.607274     2.04521  5.06139     48.712      4.82418     228.712     
1 1 1 8  21 40 o 33.2974 4.71614 7.56836      2.36416  7.83765      2.30266  34.9388     258.883     19.1167     258.883     
1 1 1 8  21 41 o 13.1475 4.32027 -1.05741     2.24432  -0.317424    1.9949   3.0356      293.382     11.4415     113.382     
1 1 1 8  21 42 o 20.8116 5.59718 2.62491      2.74299  4.2298       2.39027  16.4062     199.167     6.10204     199.167     
1 1 1 8  21 43 f 18.6644 5.23315 2.47232      2.31697  2.7615       2.17268  7.11716     356.34      0           0           
1 1 1 8  21 44 o 16.4284 4.94691 3.39848      2.49642  -0.572948    2.1023   7.07236     120.227     2.09359     120.227     
1 1 1 8  21 45 o 16.8934 5.0442  2.24344      2.14321  1.50969      2.4107   7.97546     244.947     4.71596     64.9472     
1 1 1 8  21 46 o 23.7293 5.8439  5.08099      2.43771  5.39533      2.81956  16.3159     166.065     5.61933     166.065     
1 1 1 8  21 47 o 14.984  4.61729 -2.3004      2.12925  3.07088      2.29835  3.11141     329.193     7.76222     149.193     
1 1 1 8  21 48 o 13.5077 4.46357 0.329491     2.18508  -0.168181    2.43572  1.66825     217.788     1.11945     37.7881     
1 1 1 8  21 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  22 0  o 133.354 2.05191 97.3152      4.20911  97.3152      4.20911  112.676     180         5.02893     8.65151e-06 
1 1 1 8  22 1  o 57.4948 2.52022 19.9264      2.21804  16.6785      2.20907  51.9541     283.332     11.0378     283.332     
1 1 1 8  22 2  o 65.1945 2.48067 23.6537      2.57741  23.2658      2.38246  69.4109     73.2636     33.4607     73.2636     
1 1 1 8  22 3  o 151.264 2.11156 119.382      4.75918  131.92       5.07927  158.833     359.119     58.883      359.119     
1 1 1 8  22 4  o 64.5614 2.5873  22.5832      2.56018  23.506       2.56243  52.9257     186.967     1.08126     6.96661     
1 1 1 8  22 5  o 69.2149 2.49159 28.6798      2.78592  24.3144      2.50987  40.264      225.605     35.8785     45.6047     
1 1 1 8  22 6  o 87.2147 2.85381 44.5471      3.54955  39.8028      4.03879  91.5457     181.622     36.6895     181.622     
1 1 1 8  22 7  o 58.8031 3.72959 17.2114      3.18607  21.8955      3.48742  44.6934     321.338     7.8948      141.338     
1 1 1 8  22 8  o 16.8145 4.96614 0.0119843    1.74494  1.10445      2.51528  0.718226    273.241     12.2779     273.241     
1 1 1 8  22 9  o 18.6592 4.70369 0.586191     1.75218  2.64896      1.81444  1.92635     270.611     4.04666     90.6112     
1 1 1 8  22 10 o 37.8814 3.93099 7.75076      2.20903  8.72183      2.23548  16.1791     31.0411     28.8625     211.041     
1 1 1 8  22 11 o 51.5999 3.23887 14.8497      2.54579  15.0528      2.54779  48.6115     124.991     13.3578     124.991     
1 1 1 8  22 12 o 29.4999 5.83969 4.31959      2.3065   6.35902      3.22005  12.0221     120.895     20.6005     300.895     
1 1 1 8  22 13 o 51.8525 3.98859 16.7677      3.31534  14.0277      2.95451  46.5266     349.864     8.47943     349.864     
1 1 1 8  22 14 o 30.4703 5.19334 6.08993      2.416    5.11666      2.40817  8.76312     352.398     30.0856     172.398     
1 1 1 8  22 15 o 14.9415 4.53264 -0.489791    1.73197  0.594874     2.01881  5.13593     291.72      26.3675     291.72      
1 1 1 8  22 16 o 70.6456 3.30926 25.0138      3.37208  31.4095      3.78735  78.04       204.054     39.03       204.054     
1 1 1 8  22 17 o 57.8822 3.8245  17.4091      3.57047  20.9989      3.0515   47.2866     207.056     1.334       27.056      
1 1 1 8  22 18 o 36.9788 5.04369 6.89198      3.10247  9.62231      2.3258   35.7472     230.617     18.3465     230.617     
1 1 1 8  22 19 o 89.6203 3.04809 46.5842      4.64592  43.7173      3.71145  81.641      290.336     12.1577     290.336     
1 1 1 8  22 20 o 67.0659 3.167   22.9523      3.35321  27.9777      3.08613  53.19       188.093     5.75791     8.09261     
1 1 1 8  22 21 o 24.4832 5.2758  3.5699       2.23686  3.72036      2.10434  14.6512     64.4582     3.76344     244.458     
1 1 1 8  22 22 o 52.7264 3.66617 16.5703      2.94496  15.4695      2.92871  58.0737     30.3924     30.5707     30.3924     
1 1 1 8  22 23 o 70.6912 3.11591 29.8358      3.22165  26.8786      3.49692  66.842      19.1958     15.3154     19.1958     
1 1 1 8  22 24 o 29.7712 5.45877 5.33644      2.7556   5.88049      2.3167   15.6731     55.2184     16.064      235.218     
1 1 1 8  22 25 o 55.9673 3.90334 21.0333      3.30897  15.8952      3.27169  51.1213     223.161     9.61994     223.161     
1 1 1 8  22 26 o 39.2551 4.37417 7.43291      2.49385  11.4114      2.53718  31.1679     225.274     0.766704    45.2735     
1 1 1 8  22 27 o 34.5715 4.74933 10.0358      2.40286  5.15446      2.44019  27.9337     315.249     2.08834     315.249     
1 1 1 8  22 28 o 19.8728 5.22971 2.81071      2.16715  1.50398      2.17165  3.70116     67.1178     0.863101    67.1178     
1 1 1 8  22 29 o 22.8202 5.33172 2.18104      2.18919  4.35611      2.28723  12.4044     74.2165     6.17109     254.217     
1 1 1 8  22 30 o 17.5769 4.97825 0.327138     2.06807  2.17129      2.12849  5.38066     107.838     8.20209     287.838     
1 1 1 8  22 31 o 61.0615 3.35099 22.0481      3.12317  21.8129      3.12914  55.5019     118.484     10.7652     118.484     
1 1 1 8  22 32 o 49.9755 3.81601 13.0232      2.82755  17.4728      2.89667  50.6923     304.234     20.9181     304.234     
1 1 1 8  22 33 o 59.8899 3.44558 24.2645      3.15056  18.9224      3.10776  49.3665     336.062     0.277234    336.062     
1 1 1 8  22 34 f 22.5232 5.72222 1.76286      2.58618  5.24567      2.73582  17.3242     232.024     0           0           
1 1 1 8  22 35 o 17.2289 5.29327 1.10116      2.60992  0.923781     2.61666  4.05025     312.58      16.6405     132.58      
1 1 1 8  22 36 o 33.5847 5.39603 6.96589      2.80003  9.27723      2.68471  32.104      274.681     12.8818     274.681     
1 1 1 8  22 37 o 21.8091 5.72159 2.66181      2.56416  4.43369      2.62712  13.0523     8.35115     4.00369     188.351     
1 1 1 8  22 38 o 17.8798 5.37711 1.01922      2.71418  2.29494      2.53092  9.58498     258.976     3.70757     78.9762     
1 1 1 8  22 39 o 18.3508 5.36466 1.54382      2.42442  2.80577      2.53857  11.8468     19.0888     5.72665     19.0888     
1 1 1 8  22 40 f 20.4103 6.5819  9.27329      5.98901  0.464688     2.44581  12.6046     40.5807     0           0           
1 1 1 8  22 41 o 11.8079 4.08135 -4.66048     2.35783  -1.1787      2.52568  0.948402    88.7301     11.4415     268.73      
1 1 1 8  22 42 o 16.8631 4.85347 3.2246       2.12105  -0.0743439   2.15868  7.98592     147.986     6.34053     327.986     
1 1 1 8  22 43 o 15.3718 4.68235 -0.182636    2.07701  2.22518      2.09331  5.65679     318.867     8.45071     138.867     
1 1 1 8  22 44 o 17.5077 4.81877 -1.36231     2.30465  4.3692       2.19828  7.16578     185.799     0.153062    5.79905     
1 1 1 8  22 45 o 19.0427 5.29701 4.80215      2.45689  0.656005     2.57966  8.08038     44.5119     2.42698     224.512     
1 1 1 8  22 46 o 16.36   5.12774 1.35487      2.21201  2.49446      2.89472  5.9374      67.6028     4.67292     247.603     
1 1 1 8  22 47 o 14.2784 4.65714 0.0140573    2.19004  1.46559      2.55123  4.08537     246.29      9.08348     66.2895     
1 1 1 8  22 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  23 0  o 40.4102 2.99197 9.26989      1.81076  9.26989      1.81076  25.4761     360         18.1402     180         
1 1 1 8  23 1  o 18.6111 4.19612 2.86456      1.44258  0.78696      1.45576  1.55678     191.56      1.84056     11.5598     
1 1 1 8  23 2  o 41.8152 3.01784 11.1148      1.97804  8.60997      1.84251  25.0522     56.119      17.387      236.119     
1 1 1 8  23 3  o 93.4808 2.41679 46.3665      3.55011  50.2999      3.38219  80.8        331.947     3.90478     331.947     
1 1 1 8  23 4  o 71.6399 2.46615 26.0978      2.77006  30.8436      2.62446  56.065      294.535     7.76363     114.535     
1 1 1 8  23 5  o 122.81  2.30727 83.2581      4.3704   83.2522      4.34857  115.463     137.62      22.7999     137.62      
1 1 1 8  23 6  o 88.8029 2.71881 41.4966      3.63523  46.1897      3.78119  79.4016     122.08      9.41589     122.08      
1 1 1 8  23 7  o 18.6308 4.39403 -0.851706    1.7576   3.53788      1.78691  3.31715     42.9459     11.7243     222.946     
1 1 1 8  23 8  o 41.9403 3.73345 8.66944      2.32683  11.5585      2.34191  34.3863     233.574     2.49779     233.574     
1 1 1 8  23 9  o 38.6489 3.97442 7.20295      2.25095  10.1806      2.2868   26.1078     44.0779     8.89398     224.078     
1 1 1 8  23 10 o 56.2635 3.78876 13.4343      2.99357  23.3545      3.37512  57.6394     334.442     24.2455     334.442     
1 1 1 8  23 11 f 28.885  5.62681 5.5812       2.38253  4.60073      2.83529  24.6999     22.8534     0           0           
1 1 1 8  23 12 o 36.7576 4.67076 8.88392      2.51782  7.20759      2.5601   32.2104     54.0962     9.30367     54.0962     
1 1 1 8  23 13 o 22.4983 5.46454 1.93402      1.92679  3.93136      2.67207  10.0727     26.812      5.60465     206.812     
1 1 1 8  23 14 o 28.3253 5.60466 6.08044      2.22512  3.46065      3.15945  12.5573     193.831     17.2921     13.831      
1 1 1 8  23 15 o 82.244  3.18697 41.7899      4.2721   34.6867      3.77423  55.287      22.2466     27.4266     202.247     
1 1 1 8  23 16 f 13.868  4.3721  -0.490033    1.86764  -0.542898    1.91796  10.4494     139.277     0           0           
1 1 1 8  23 17 o 128.793 2.62328 96.0963      5.43199  89.0918      4.9639   121.793     0.72669     26.5137     0.72669     
1 1 1 8  23 18 o 15.7433 4.65894 0.471042     1.90814  0.527743     1.87969  1.31648     248.405     14.8767     68.4047     
1 1 1 8  23 19 o 20.3394 5.02342 3.35727      2.03467  1.00365      2.02759  8.81272     124.301     2.39738     124.301     
1 1 1 8  23 20 o 18.0005 4.93835 0.0316129    1.94403  2.51405      2.14106  3.01445     172.133     19.5885     352.134     
1 1 1 8  23 21 o 21.3487 5.44255 2.63442      2.20343  2.51888      2.37785  12.915      156.082     3.15844     336.082     
1 1 1 8  23 22 o 29.8612 4.9609  2.43614      2.37551  9.03525      2.49998  28.4513     67.1875     15.3258     67.1875     
1 1 1 8  23 23 o 56.3277 3.72675 16.7754      3.36509  20.4477      2.90921  53.9215     108.444     15.7133     108.444     
1 1 1 8  23 24 o 41.8184 4.88002 11.8272      3.00457  9.97718      3.04104  35.1679     282.428     3.84093     282.428     
1 1 1 8  23 25 o 19.5325 5.31636 0.828633     2.55755  2.73126      2.14261  8.00738     87.8208     7.40724     267.821     
1 1 1 8  23 26 o 37.0948 4.56197 8.5338       2.49516  8.52148      2.52733  35.7315     324.115     15.2592     324.115     
1 1 1 8  23 27 o 57.3366 3.69316 20.7761      3.20757  18.1639      3.22589  59.5762     266.381     26.6444     266.381     
1 1 1 8  23 28 o 15.674  4.76843 1.29223      2.15488  -0.824714    2.11958  2.81087     329.131     9.79779     149.131     
1 1 1 8  23 29 o 39.4109 4.5009  10.1474      2.61779  9.46204      2.65455  38.5916     249.56      16.2852     249.56      
1 1 1 8  23 30 o 48.7402 3.92767 12.5888      2.83155  16.7235      2.90632  43.387      83.2655     8.31656     83.2655     
1 1 1 8  23 31 o 22.3936 5.3642  4.91116      2.35265  1.80328      2.31917  15.2565     175.174     7.38103     175.174     
1 1 1 8  23 32 o 17.3371 5.09281 1.09446      2.22965  1.68608      2.25679  7.52605     49.1313     1.98389     49.1313     
1 1 1 8  23 33 o 17.5942 5.30742 2.20796      2.53886  0.102377     2.66156  3.81587     37.8383     17.6174     217.838     
1 1 1 8  23 34 f 23.3942 5.93907 5.46012      2.81169  2.81319      2.81505  24.131      120.635     0           0           
1 1 1 8  23 35 o 18.6226 5.41633 1.19075      2.73248  2.7329       2.39275  7.3531      181.372     10.2881     1.37227     
1 1 1 8  23 36 o 17.8875 5.30539 2.79239      2.47203  0.447239     2.63313  9.72048     214.423     3.18404     34.4234     
1 1 1 8  23 37 o 14.8476 4.78353 -2.06416     2.57157  1.32659      2.45799  7.21876     112.627     3.3581      292.627     
1 1 1 8  23 38 o 15.2319 4.86136 1.23891      2.38319  -0.707829    2.56104  2.83619     200.372     15.6361     20.3722     
1 1 1 8  23 39 o 30.7999 5.56758 5.97318      2.68475  9.51134      2.74652  22.9742     173.48      1.39122     353.48      
1 1 1 8  23 40 o 16.3828 5.27188 0.399669     2.84986  1.54325      2.99121  8.21911     152.817     0.0761559   332.818     
1 1 1 8  23 41 o 15.418  4.89614 1.93862      2.45553  -0.608058    2.52235  1.40083     313.53      0.36194     313.53      
1 1 1 8  23 42 o 14.1175 4.66918 0.0247321    2.54544  -0.444645    2.50956  2.84998     349.909     8.18267     169.909     
1 1 1 8  23 43 f 18.9752 5.61924 2.52333      2.58804  3.69952      2.92369  9.88957     85.1587     0           0           
1 1 1 8  23 44 o 17.3999 5.34293 3.51445      2.82787  1.09682      2.53715  5.49879     94.821      0.601384    274.821     
1 1 1 8  23 45 o 13.9979 4.63431 1.01079      2.34136  -0.862839    2.79707  1.40835     95.914      0.437241    275.914     
1 1 1 8  23 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  24 0  o 48.3726 2.80726 13.1445      2.05758  13.1445      2.05758  36.9345     180         7.97658     2.2312e-05  
1 1 1 8  24 1  o 75.7476 2.45643 30.3643      2.94833  33.4331      2.74726  60.6707     228.309     4.56704     48.309      
1 1 1 8  24 2  o 85.5914 2.36019 39.322       3.03151  41.96        3.17867  75.3697     273.456     8.10722     273.456     
1 1 1 8  24 3  o 54.9512 2.86919 17.7296      2.30846  16.1757      2.4945   56.4614     313.528     24.7002     313.528     
1 1 1 8  24 4  o 45.724  2.96285 10.1834      1.97849  13.5011      2.13227  37.0741     327.873     0.974629    327.873     
1 1 1 8  24 5  o 94.5917 2.54173 51.6698      3.89793  47.9274      3.49311  85.7831     344.93      13.6297     344.93      
1 1 1 8  24 6  o 29.2712 5.36647 2.59167      1.9738   8.55173      3.13442  6.74961     137.34      31.6638     317.34      
1 1 1 8  24 7  o 36.1206 4.57592 8.68044      2.22092  6.87429      2.62001  33.8579     342.365     16.0008     342.365     
1 1 1 8  24 8  o 21.0376 4.82299 3.68369      1.88337  1.18682      1.9033   3.9845      67.071      20.5447     247.071     
1 1 1 8  24 9  o 96.1693 2.93195 51.3605      4.33271  52.3933      4.33038  91.2245     258.658     22.1246     258.658     
1 1 1 8  24 10 o 23.913  5.32287 2.15352      2.2589   4.59007      2.27461  3.94987     237.704     44.3296     237.704     
1 1 1 8  24 11 o 36.0656 4.60313 8.80936      2.31026  6.79512      2.56799  27.3448     126.474     1.06844     306.474     
1 1 1 8  24 12 o 42.9848 3.89598 8.03029      2.41907  13.802       2.44911  24.927      82.5458     19.7194     262.546     
1 1 1 8  24 13 f 19.8897 5.12399 0.95027      2.16776  2.93113      2.05912  13.8107     51.5114     0           0           
1 1 1 8  24 14 o 58.6373 3.47109 18.7163      3.08752  20.6965      3.11793  66.1436     218.181     37.3434     218.181     
1 1 1 8  24 15 o 76.1298 2.99677 34.7544      3.63841  30.8425      3.36187  68.0292     57.6182     9.69538     57.6182     
1 1 1 8  24 16 o 32.3138 4.74313 5.57981      2.25499  7.24833      2.31422  24.5176     318.366     1.60026     138.366     
1 1 1 8  24 17 o 46.0181 4.04588 15.2668      2.82213  9.98732      2.69087  40.9418     326.664     7.43262     326.664     
1 1 1 8  24 18 o 52.5423 3.67715 15.1326      3.01451  17.0927      2.82678  38.2234     264.637     9.61984     84.6369     
1 1 1 8  24 19 o 56.7762 3.55043 21.6092      2.9063   16.0527      3.12485  45.362      286.507     2.21308     106.507     
1 1 1 8  24 20 o 19.0689 5.41644 0.352737     2.11559  2.8363       2.79621  7.50414     2.12973     1.13328     182.13      
1 1 1 8  24 21 o 17.2786 5.22705 -0.263396    2.13951  1.59139      2.79896  4.04886     39.0076     11.463      219.008     
1 1 1 8  24 22 o 38.2452 5.25008 10.4315      2.94027  8.35237      3.00924  27.6927     151.417     4.5742      331.417     
1 1 1 8  24 23 o 68.0092 3.63293 31.0439      3.7592   23.5431      3.73022  57.6563     84.9329     4.11147     84.9329     
1 1 1 8  24 24 o 25.7961 5.59467 5.40797      2.29089  3.21158      2.81433  12.3646     306.961     12.895      126.961     
1 1 1 8  24 25 o 14.9128 4.65828 0.228285     2.01936  -0.371943    2.19682  1.12804     282.972     2.0468      102.972     
1 1 1 8  24 26 o 40.8961 4.36183 9.95715      2.65032  10.9448      2.66779  40.0858     223.842     16.9999     223.842     
1 1 1 8  24 27 o 17.0591 4.93285 2.29229      2.1459   -0.257461    2.16693  5.32794     148.203     1.43093     328.203     
1 1 1 8  24 28 f 15.461  4.77827 0.883977     2.13511  -0.277543    2.22172  13.1561     357.184     0           0           
1 1 1 8  24 29 o 43.9902 4.28475 11.1426      2.75524  13.6242      2.87921  39.6307     115.087     9.24359     115.087     
1 1 1 8  24 30 o 27.9279 5.62152 5.91053      2.50046  5.55512      2.57137  24.1366     93.8881     6.917       93.8881     
1 1 1 8  24 31 o 19.0671 5.53203 2.53826      2.7837   1.74212      2.4061   10.6156     113.067     3.48463     293.067     
1 1 1 8  24 32 o 38.0045 6.45399 10.2212      3.98619  12.8412      3.55758  28.8102     175.378     1.56311     355.378     
1 1 1 8  24 33 o 14.589  4.72698 1.53108      2.66211  -2.91562     2.26562  3.94405     106.625     2.53049     286.625     
1 1 1 8  24 34 f 17.7574 5.12615 3.72155      2.44428  -1.40679     2.59257  10.7737     296.653     0           0           
1 1 1 8  24 35 o 17.6253 5.40052 1.84253      2.73548  1.51435      2.67478  8.31923     279.303     8.03777     99.3027     
1 1 1 8  24 36 o 29.651  5.90347 7.85074      2.89093  6.81157      2.73276  21.8196     333.941     1.58112     153.941     
1 1 1 8  24 37 o 14.7131 4.78587 -1.49011     2.49956  1.22822      2.57449  3.32024     316.86      12.4836     136.86      
1 1 1 8  24 38 o 20.0897 5.48361 5.16432      2.60547  1.01364      2.64301  14.1195     180.487     4.78669     180.487     
1 1 1 8  24 39 o 18.0403 5.6051  2.891        2.95972  1.76507      3.08649  7.56732     184.994     3.15655     184.994     
1 1 1 8  24 40 o 32.5658 5.6591  12.8782      2.91805  5.92735      3.41471  25.701      232.836     2.82452     232.836     
1 1 1 8  24 41 o 15.0787 4.85273 0.0359534    2.39093  1.25835      2.56046  2.39561     75.3692     6.89032     255.369     
1 1 1 8  24 42 o 27.6027 6.09999 6.82887      2.87802  7.87558      2.89764  20.2798     58.2022     2.61771     58.2022     
1 1 1 8  24 43 o 17.6255 5.12756 -1.45935     2.59526  5.45626      2.64509  8.74165     117.174     0.652607    297.174     
1 1 1 8  24 44 o 13.5157 4.53656 -2.21615     2.72851  1.04293      2.52678  3.89904     184.744     8.33098     4.74381     
1 1 1 8  25 0  o 112.582 2.19849 69.7688      3.8048   69.7688      3.8048   106.61      5.69738e-06 24.8341     5.69738e-06 
1 1 1 8  25 1  o 12.4642 3.79672 0.169723     1.27172  -0.206663    1.38095  10.3955     156.79      36.324      156.79      
1 1 1 8  25 2  o 100.567 2.40667 50.6516      3.448    62.2383      4.00215  99.0756     52.8306     31.5132     52.8306     
1 1 1 8  25 3  o 38.7482 3.39645 7.90662      1.9751   9.39054      1.97604  21.6865     77.9384     18.6187     257.938     
1 1 1 8  25 4  o 82.7038 2.54627 32.6753      3.31557  44.1396      3.04543  85.6752     63.1664     35.1286     63.1664     
1 1 1 8  25 5  o 53.7839 3.55979 16.2763      3.0287   16.9738      2.78442  48.8543     225.25      10.6143     225.25      
1 1 1 8  25 6  o 24.3947 4.94754 2.41436      1.99802  4.842        2.0464   7.87742     93.8716     20.9245     273.872     
1 1 1 8  25 7  o 54.9408 3.66633 21.9142      3.12286  13.4157      2.89511  47.3509     167.513     5.28775     167.513     
1 1 1 8  25 8  o 38.716  4.82807 6.94245      2.645    11.5265      2.85836  26.6815     49.7954     8.35065     229.795     
1 1 1 8  25 9  o 17.2829 5.01156 1.46806      2.18436  0.311574     2.11398  4.59775     145.515     13.4771     325.515     
1 1 1 8  25 10 o 15.7021 4.6479  -0.813587    1.83309  1.50523      2.06699  5.17782     272.15      3.04061     92.1497     
1 1 1 8  25 11 o 73.1514 3.06564 28.7311      3.31764  32.1702      3.55914  66.6891     138.708     13.0018     138.708     
1 1 1 8  25 12 o 29.2056 5.19504 5.26701      2.32007  5.53071      2.34838  22.144      335.524     0.592379    335.524     
1 1 1 8  25 13 o 57.1083 3.37995 18.5837      3.02786  19.0634      2.8557   54.8415     102.783     17.1228     102.783     
1 1 1 8  25 14 o 64.5734 3.16209 20.3446      3.08748  27.7321      3.09731  65.6544     100.466     26.3851     100.466     
1 1 1 8  25 15 o 24.4589 5.22627 4.35571      2.13953  3.23516      2.16536  16.3896     44.223      0.128803    44.223      
1 1 1 8  25 16 o 46.955  3.7867  14.2348      2.67424  11.8874      2.67923  46.2382     312.42      18.5583     312.42      
1 1 1 8  25 17 o 51.785  3.56177 13.9341      2.76978  17.6152      2.80516  39.7787     343.194     3.82665     163.194     
1 1 1 8  25 18 o 50.7387 3.77464 13.2871      2.79148  17.3374      2.99682  50.1928     279.235     20.0396     279.235     
1 1 1 8  25 19 o 20.6347 5.38711 1.61083      2.43409  3.11466      2.20135  9.80418     10.8492     1.21382     190.849     
1 1 1 8  25 20 o 38.4639 4.79846 8.02289      2.69839  10.6535      2.75571  36.4537     103.791     15.1055     103.791     
1 1 1 8  25 21 o 36.489  5.04757 9.42224      2.95411  7.7647       2.52006  29.5297     150.299     3.44505     150.299     
1 1 1 8  25 22 o 15.8177 5.0197  -1.24209     2.56107  0.512559     2.57458  3.03238     196.486     4.46024     16.4855     
1 1 1 8  25 23 o 59.3377 3.68056 20.4881      3.07682  21.8299      3.57076  56.4578     155.157     17.7148     155.157     
1 1 1 8  25 24 o 17.2399 5.04781 1.49702      2.16355  0.960578     2.2278   4.81712     177.686     0.671934    357.686     
1 1 1 8  25 25 o 48.5188 3.91039 13.5477      2.85383  15.5846      2.86995  37.854      125.375     1.84652     305.376     
1 1 1 8  25 26 o 13.2677 4.3497  -0.997019    2.09664  -0.90554     2.13886  2.55033     126.923     3.95042     306.923     
1 1 1 8  25 27 o 35.5826 5.31335 8.73236      2.77655  8.99921      2.86331  26.4938     143.178     2.68442     323.178     
1 1 1 8  25 28 o 21.9326 5.92254 2.58204      2.33625  4.56582      3.21791  13.3085     57.3479     4.00159     237.348     
1 1 1 8  25 29 o 24.1233 6.04534 5.31987      2.46333  3.28453      3.71     18.2228     329.628     4.37183     329.628     
1 1 1 8  25 30 o 13.8773 4.72972 -1.53448     2.54519  -3.73412     3.55844  2.61002     289.463     7.11993     109.463     
1 1 1 8  25 31 o 18.5461 5.50459 0.152744     2.73458  3.48425      2.79956  5.93169     299.844     14.0035     119.844     
1 1 1 8  25 32 o 18.224  5.04571 4.39585      2.42563  -1.46357     2.40114  12.0662     353.701     3.45043     353.701     
1 1 1 8  25 33 o 24.0601 5.81876 3.29791      2.52957  6.48613      2.81127  20.1551     234.911     6.60751     234.911     
1 1 1 8  25 34 o 16.2619 5.29063 -1.03393     3.81135  1.25543      2.58805  8.10025     117.855     0.751274    117.855     
1 1 1 8  25 35 o 19.0871 5.48921 2.45174      2.4494   3.2148       2.61345  8.60993     358.376     9.21628     178.376     
1 1 1 8  25 36 o 16.2461 5.07824 -1.62331     2.54495  3.22734      2.74995  7.82177     296.543     0.0603548   296.543     
1 1 1 8  25 37 o 15.1354 4.86915 0.623294     2.40799  0.619121     2.5668   6.31366     216.998     1.56599     36.9982     
1 1 1 8  25 38 o 13.7835 4.67501 -0.0156378   2.86586  -2.72361     2.91182  1.21661     141.803     1.46052     321.803     
1 1 1 8  25 39 o 26.9386 6.29878 6.65939      2.77046  7.7065       3.32401  19.6112     251.452     5.49292     251.452     
1 1 1 8  25 40 o 18.3983 5.38392 4.20994      2.57436  1.13892      2.66471  6.9967      324.972     0.570952    144.972     
1 1 1 8  25 41 o 16.2562 5.2185  2.34223      3.02484  1.49269      2.63868  6.17547     164.609     4.71161     344.609     
1 1 1 8  25 42 o 14.0228 4.73148 0.575762     3.03819  -0.655419    2.61604  4.12391     238.434     0.213372    58.4336     
1 1 1 8  25 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  26 0  o 92.0239 2.33496 46.8765      3.29912  46.8765      3.29912  93.5213     360         34.824      360         
1 1 1 8  26 1  o 21.2086 4.54937 3.60563      1.58183  1.67019      1.83102  8.82063     148.188     12.1234     328.188     
1 1 1 8  26 2  o 85.9709 2.43776 42.5682      3.12457  40.3269      3.30658  74.8441     255.983     8.88668     255.983     
1 1 1 8  26 3  o 12.2264 3.6906  0.988966     1.37642  -1.87598     1.34624  0.114346    263.055     4.21477     83.0545     
1 1 1 8  26 4  o 26.1462 4.56042 2.51944      2.16759  5.83537      1.71369  13.0644     24.2375     12.8932     204.238     
1 1 1 8  26 5  o 64.0971 3.35488 28.2899      3.30371  19.4973      3.19255  53.5191     282.333     3.05298     282.333     
1 1 1 8  26 6  o 39.086  4.81934 11.6357      2.76616  7.45007      2.75465  34.2509     185.424     8.2173      185.424     
1 1 1 8  26 7  o 51.9662 3.99746 18.2172      3.12683  13.9445      3.10996  47.8993     160.174     13.0326     160.174     
1 1 1 8  26 8  o 56.3084 3.54442 17.7828      2.86251  19.224       3.21875  48.3926     296.946     6.35312     296.946     
1 1 1 8  26 9  o 50.0789 3.68398 13.3582      2.7153   16.2096      2.87402  39.8697     161.368     0.144909    341.368     
1 1 1 8  26 10 o 50.9921 3.75664 17.509       2.76613  13.307       2.94933  40.2308     233.667     0.937916    53.6666     
1 1 1 8  26 11 o 32.2102 5.33975 8.02459      2.81578  5.54461      2.41225  23.033      108.696     1.97866     288.696     
1 1 1 8  26 12 o 14.8065 4.55201 -0.797163    1.97168  0.765523     1.96952  0.277896    81.0235     14.2966     261.024     
1 1 1 8  26 13 o 38.5634 4.98155 5.70765      2.83439  13.6963      2.7152   29.0404     319.417     1.38905     139.417     
1 1 1 8  26 14 o 26.2235 5.32485 5.28679      2.22384  3.66305      2.38328  13.0562     84.6279     11.7879     264.628     
1 1 1 8  26 15 o 37.4687 4.84058 8.94273      2.51305  8.75577      2.85389  25.8515     79.3361     6.05287     259.336     
1 1 1 8  26 16 o 17.4794 5.10308 1.07593      2.07584  1.20511      2.37969  2.77178     240.706     15.378      60.7059     
1 1 1 8  26 17 o 21.7251 5.41803 3.65151      2.1755   2.12529      2.46513  8.76115     313.265     11.6774     133.265     
1 1 1 8  26 18 o 21.7566 5.41426 1.98101      2.36838  3.92825      2.27471  10.9015     127.541     6.33667     307.541     
1 1 1 8  26 19 o 44.3379 4.38565 12.5019      2.89822  12.147       2.92536  43.1573     263.225     17.8521     263.225     
1 1 1 8  26 20 o 30.1322 5.42314 9.01367      2.81327  3.83994      2.46825  24.0627     137.754     4.49763     137.754     
1 1 1 8  26 21 o 43.2804 5.19519 12.181       3.72464  12.9088      2.82366  40.9935     303.509     15.0432     303.509     
1 1 1 8  26 22 o 18.126  5.29708 2.33435      2.21448  0.289926     2.83111  8.51757     140.818     0.634667    140.818     
1 1 1 8  26 23 o 15.0219 4.68439 -1.27007     2.15634  1.29734      2.21225  3.18856     162.27      0.241103    342.27      
1 1 1 8  26 24 o 31.3184 5.29606 5.2061       2.51401  8.85728      2.62252  25.9416     219.225     4.54558     219.225     
1 1 1 8  26 25 o 18.6554 5.19911 3.36507      2.31406  0.34758      2.35417  5.36436     339.189     2.42585     339.189     
1 1 1 8  26 26 o 12.6276 4.28692 -2.0577      2.61924  -2.17214     2.1741   1.5654      322.957     6.24714     142.957     
1 1 1 8  26 27 o 43.7281 4.40392 12.1284      2.88343  13.2196      2.8723   33.2951     229.905     1.83039     49.9053     
1 1 1 8  26 28 o 27.1837 5.74653 6.0689       2.57101  5.54337      2.61943  22.9531     9.34969     7.71526     9.34969     
1 1 1 8  26 29 o 15.5323 5.00756 1.28015      2.67567  -1.40746     2.74623  7.06378     272.198     3.51774     92.1984     
1 1 1 8  26 30 o 12.7058 4.33514 -3.04028     2.48951  -1.36        2.5986   3.81439     275.456     1.50004     95.4558     
1 1 1 8  26 31 o 17.6552 5.16342 -0.756486    2.54918  3.73008      2.48593  10.7766     324.893     2.63414     324.893     
1 1 1 8  26 32 o 14.7749 4.77539 1.42216      2.48006  -1.69298     2.54094  5.32142     228.88      6.47154     48.8798     
1 1 1 8  26 33 o 30.3073 5.58511 11.4026      3.01398  4.35428      2.73802  22.9008     228.308     0.572876    228.309     
1 1 1 8  26 34 o 17.4618 5.22756 0.110348     2.52369  3.63446      2.58577  3.19272     333.08      1.42171     333.08      
1 1 1 8  26 35 o 17.7854 5.35187 0.0623037    2.59273  4.10453      2.79325  9.2267      322.742     1.6721      142.742     
1 1 1 8  26 36 o 17.7193 5.22551 4.23321      2.56482  -0.72058     2.73282  6.51114     164.766     0.976147    344.766     
1 1 1 8  26 37 o 22.2964 6.05933 3.45191      3.18297  6.35961      2.96555  11.2958     269.251     4.00943     89.2514     
1 1 1 8  26 38 o 20.6861 5.93376 4.90934      2.68758  3.66953      3.5307   10.4398     280.163     3.88831     100.163     
1 1 1 8  26 39 o 16.4607 5.31014 2.03047      2.58606  2.08248      3.46548  6.54332     340.643     4.45476     160.643     
1 1 1 8  26 40 o 13.57   4.61336 -0.557178    2.49069  -0.498101    3.14124  2.6204      146.805     0.0752115   326.805     
1 1 1 8  26 41 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  27 0  o 10.7669 4.67504 0.640891     1.49527  0.640891     1.49527  3.51554     180         14.2659     180         
1 1 1 8  27 1  f 63.324  2.68082 24.5471      2.6011   21.0895      2.59115  35.3332     91.3497     0           0           
1 1 1 8  27 2  o 85.4083 2.49751 35.8459      3.15701  46.8647      3.37839  93.6288     117.679     50.1222     117.679     
1 1 1 8  27 3  o 67.5342 2.68173 24.5261      2.84161  27.3316      2.69526  61.451      9.06639     14.8504     9.06639     
1 1 1 8  27 4  o 34.0396 5.31424 5.23687      2.87061  9.98305      2.65006  24.2133     62.4143     2.45612     242.414     
1 1 1 8  27 5  o 19.7579 5.60435 -0.0708835   2.22499  3.71601      3.10152  7.82798     293.35      5.03252     113.35      
1 1 1 8  27 6  o 33.2342 5.33583 7.87514      2.69982  6.54022      2.64409  17.4872     49.5152     15.4864     229.515     
1 1 1 8  27 7  o 59.9819 3.32407 21.532       3.03311  20.3792      3.05542  57.0547     80.8381     19.1399     80.8381     
1 1 1 8  27 8  o 18.9492 4.8647  3.59851      2.03836  -0.721526    2.20892  2.29528     169.938     0.0154042   169.938     
1 1 1 8  27 9  o 36.1846 5.1237  4.65619      2.94676  12.804       2.62119  33.4822     309.243     14.646      309.243     
1 1 1 8  27 10 o 49.6169 4.21213 15.312       3.42973  14.7662      2.84453  40.7965     40.0249     3.75172     40.0249     
1 1 1 8  27 11 o 35.3508 5.33281 7.52858      2.97932  8.99546      2.64857  24.279      52.7599     4.95954     232.76      
1 1 1 8  27 12 o 17.8725 5.05876 1.71525      2.11866  1.29708      2.11005  4.07366     127.92      13.6149     307.92      
1 1 1 8  27 13 o 34.1213 4.92287 7.09081      2.4872   8.09837      2.51096  30.3584     128.604     11.0275     128.604     
1 1 1 8  27 14 o 70.6773 3.31585 27.9545      3.68158  31.0863      3.46635  68.8799     32.2138     25.0646     32.2138     
1 1 1 8  27 15 o 16.01   4.8117  1.22985      2.04928  0.138866     2.13874  2.47372     60.842      1.17571     240.842     
1 1 1 8  27 16 o 35.6286 4.78352 8.75842      2.50556  7.91745      2.54788  32.0186     322.593     10.7725     322.593     
1 1 1 8  27 17 o 32.5037 5.08178 9.56914      2.53199  5.02804      2.5117   26.376      55.5909     4.23606     55.5909     
1 1 1 8  27 18 o 29.7655 5.64871 6.28822      2.63292  6.52629      2.65347  17.4754     10.6678     9.99624     190.668     
1 1 1 8  27 19 o 21.3782 5.65181 3.77884      2.47621  2.49251      2.60316  12.3885     196.729     4.68912     16.7292     
1 1 1 8  27 20 o 41.8918 5.17487 10.0203      3.29552  14.2198      3.01391  39.6728     271.323     14.6763     271.323     
1 1 1 8  27 21 o 17.1174 5.38141 2.1477       2.94726  -1.61741     2.97822  8.02312     159.435     2.47264     339.435     
1 1 1 8  27 22 o 18.6613 5.38075 3.38367      2.29755  -2.02612     3.611    5.55387     232.404     2.09046     232.404     
1 1 1 8  27 23 o 18.7754 5.45815 1.64341      2.36325  2.62698      2.70473  7.84364     101.214     8.20209     281.214     
1 1 1 8  27 24 o 19.4547 5.61869 3.18022      2.61255  1.66502      2.81355  10.9866     45.0408     0.437693    45.0408     
1 1 1 8  27 25 o 21.5063 5.52926 1.97393      2.44128  4.91871      2.51773  15.5611     214.997     5.17605     214.997     
1 1 1 8  27 26 o 18.552  5.61035 2.88379      3.16709  1.50648      2.50234  9.591       115.856     5.67682     295.856     
1 1 1 8  27 27 o 18.0185 5.33254 1.94437      2.4308   2.18564      2.53109  7.76204     205.74      4.11198     205.74      
1 1 1 8  27 28 o 12.7368 4.35836 -2.94299     2.59212  -1.60667     2.64816  1.92108     91.6021     0.721705    271.602     
1 1 1 8  27 29 o 18.9223 5.53369 2.55437      2.63731  2.83328      2.61867  11.7528     335.692     0.956524    335.692     
1 1 1 8  27 30 o 22.467  5.9373  4.76547      2.67832  4.33426      2.87328  13.9042     285.89      3.30426     105.89      
1 1 1 8  27 31 o 15.0159 4.9752  1.40473      3.15328  -1.46484     2.55654  5.84304     68.5867     3.30049     248.587     
1 1 1 8  27 32 o 15.9481 5.04233 0.0862721    2.62447  1.97739      2.53591  5.37912     293.365     9.26572     113.365     
1 1 1 8  27 33 o 16.2762 5.15894 1.63754      2.46593  0.952573     2.94002  5.56162     118.756     3.64827     298.756     
1 1 1 8  27 34 o 15.5521 5.02734 0.640921     2.61875  0.929989     2.76382  2.17789     244.728     2.80061     64.7279     
1 1 1 8  27 35 o 15.7637 5.04602 0.362947     2.60898  1.7838       2.67722  2.86001     172.099     8.9298      352.099     
1 1 1 8  27 36 o 18.2814 5.50945 5.85487      3.11852  -0.375389    2.75549  6.35282     271.983     0.805883    271.983     
1 1 1 8  27 37 o 13.6167 4.60368 0.498739     2.50487  -1.89657     3.12852  3.1726      45.8155     2.60116     225.816     
1 1 1 8  27 38 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  28 0  o 7.12775 3.53474 -1.40195     1.4722   -1.40195     1.4722   8.11217     4.96324e-05 20.4925     4.96324e-05 
1 1 1 8  28 1  o 52.5393 3.05648 18.4894      2.43289  13.9248      2.42349  47.9419     123.253     13.8642     123.253     
1 1 1 8  28 2  o 20.0921 5.09668 3.04284      1.96997  1.89362      2.10843  9.89242     38.2551     2.44281     218.255     
1 1 1 8  28 3  o 33.8713 4.88272 5.86997      2.70514  9.20648      2.17757  31.8116     268.012     15.8861     268.012     
1 1 1 8  28 4  o 42.4424 4.48949 8.16563      2.61122  15.0963      2.95198  30.9387     24.5717     3.68873     204.572     
1 1 1 8  28 5  o 35.8341 5.2287  8.36502      2.53162  8.85623      3.04172  29.5319     127.662     5.75078     127.662     
1 1 1 8  28 6  o 35.0208 5.19168 5.5098       2.85257  11.281       2.63291  27.9465     289.651     3.76599     289.651     
1 1 1 8  28 7  f 48.2474 4.10801 15.4306      2.98297  13.5464      2.98284  35.6791     152.004     0           0           
1 1 1 8  28 8  o 24.7166 5.54895 4.86229      2.38465  3.72644      2.39607  15.4939     202.069     2.9826      22.0692     
1 1 1 8  28 9  f 29.2456 5.36564 6.18867      2.48667  5.7217       2.38805  9.07012     150.526     0           0           
1 1 1 8  28 10 o 48.9686 4.31263 14.0966      3.32609  16.3007      2.94528  39.2622     246.67      1.99577     246.67      
1 1 1 8  28 11 f 33.0792 5.06259 6.55996      2.5038   8.35424      2.5124   16.4116     147.932     0           0           
1 1 1 8  28 12 o 61.5603 3.47269 24.2221      3.27043  21.6881      3.25024  49.1722     108.731     0.89367     108.731     
1 1 1 8  28 13 o 44.6534 4.25075 14.3434      2.82452  11.2359      2.82119  37.0578     38.9697     4.62341     38.9697     
1 1 1 8  28 14 f 35.3763 4.98381 10.0596      2.61847  7.10816      2.61404  17.7304     8.12902     0           0           
1 1 1 8  28 15 o 22.3134 5.5342  3.26356      2.3457   3.91597      2.36822  4.16951     128.608     24.677      308.608     
1 1 1 8  28 16 o 17.9983 5.17467 -0.31364     2.54034  3.02502      2.31056  6.94392     75.2633     9.7185      255.263     
1 1 1 8  28 17 o 17.9789 5.33618 0.530049     2.88591  2.28869      2.29678  8.33231     149.912     4.68783     329.912     
1 1 1 8  28 18 o 38.0335 5.36513 8.77953      3.0942   11.9708      2.95272  35.3782     35.0635     14.0909     35.0635     
1 1 1 8  28 19 o 26.1665 5.55177 3.49559      2.51324  6.94508      2.55945  20.5881     152.005     12.0648     152.005     
1 1 1 8  28 20 o 17.3748 5.447   1.15627      2.85616  1.01831      2.93823  6.4831      162.689     0.616388    162.689     
1 1 1 8  28 21 o 17.0149 5.27073 0.84464      2.33332  1.61088      2.91987  7.81175     22.6693     0.627375    22.6693     
1 1 1 8  28 22 o 19.4622 5.48441 1.82105      2.55532  3.49412      2.48299  8.99697     68.3987     8.94826     248.399     
1 1 1 8  28 23 o 36.0096 5.32388 8.32896      2.82035  11.1449      2.90298  22.4345     90.4614     10.511      270.461     
1 1 1 8  28 24 o 15.7094 4.97238 1.24416      2.54286  0.116193     2.41725  5.35034     143.299     9.67353     323.299     
1 1 1 8  28 25 o 35.7669 5.53688 8.1215       2.86456  12.042       3.10127  31.3577     69.4313     9.15742     69.4313     
1 1 1 8  28 26 o 17.6937 5.58429 0.594212     3.49114  2.5234       2.89074  8.10474     272.141     6.00832     92.1409     
1 1 1 8  28 27 o 18.7192 5.93273 3.50875      3.86376  1.60676      3.16911  7.20698     225.261     10.6104     45.2612     
1 1 1 8  28 28 o 29.1439 5.84425 9.5137       2.84212  5.56051      2.95103  26.5412     145.208     12.7914     145.208     
1 1 1 8  28 29 o 17.0773 5.23831 2.69111      2.52058  0.830563     2.69928  6.16198     140.394     1.89015     140.394     
1 1 1 8  28 30 o 16.7544 5.30383 1.03464      2.62789  2.23399      2.991    5.29064     88.9835     0.86137     268.983     
1 1 1 8  28 31 o 20.6844 5.90247 4.20213      2.6751   3.86852      3.20561  6.40597     272.529     1.79921     272.529     
1 1 1 8  28 32 o 19.9169 5.66401 5.13586      2.6889   1.48961      3.14804  6.32893     147.695     11.6086     327.695     
1 1 1 8  28 33 o 11.6626 4.06013 -2.2238      2.54773  -3.49784     2.61166  2.13999     235.439     14.3548     235.439     
1 1 1 8  28 34 o 17.8606 5.29772 4.97546      2.65655  0.0739947    2.78601  8.39698     156.981     0.0348428   156.98      
1 1 1 8  28 35 o 15.9578 5.20889 2.54542      3.18997  0.899702     2.76062  5.09837     316.488     9.98525     136.488     
1 1 1 8  28 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  29 0  o 8.78345 4.3264  -1.51052     2.10201  -1.51052     2.10201  5.38707     360         20.5711     360         
1 1 1 8  29 1  o 19.8952 5.09241 2.8482       1.99677  2.40705      2.02442  12.2761     103.418     5.2805      103.418     
1 1 1 8  29 2  o 41.5065 4.76791 10.5636      3.09263  12.3849      2.71376  35.4033     35.1903     7.16917     35.1903     
1 1 1 8  29 3  o 28.1134 5.14184 6.05723      2.07008  5.03257      2.47164  22.0213     32.1391     3.23115     32.1391     
1 1 1 8  29 4  o 29.9937 8.12395 20.088       7.61399  2.55372      2.74063  21.9466     75.136      1.04271     75.136      
1 1 1 8  29 5  o 12.8419 4.23096 -0.691808    2.00559  -1.44393     2.09486  0.319646    249.067     14.3358     69.067      
1 1 1 8  29 6  o 33.0112 5.73073 7.50376      3.11334  8.53192      2.70546  25.9501     9.43315     2.84175     9.43314     
1 1 1 8  29 7  o 50.4511 4.13563 12.7881      3.09018  19.8686      2.99308  45.6993     226.593     13.2821     226.593     
1 1 1 8  29 8  o 17.0344 4.84614 3.12596      2.19584  -1.28202     2.17883  3.97219     47.8892     14.679      227.889     
1 1 1 8  29 9  o 30.2726 5.84793 7.56823      2.5778   6.29038      3.14246  19.7242     100.955     5.20864     280.955     
1 1 1 8  29 10 o 40.3165 4.80214 14.2292      2.82124  8.03293      2.7832   27.5587     52.5252     6.61379     232.525     
1 1 1 8  29 11 o 15.0605 4.73465 -0.497394    2.16808  0.918556     2.27243  2.86908     148.335     1.10557     328.335     
1 1 1 8  29 12 o 14.9442 4.67883 1.27624      2.20868  -1.00282     2.1612   3.03502     39.6131     1.8081      219.613     
1 1 1 8  29 13 o 20.6436 5.3281  4.55082      2.36649  1.18972      2.36505  12.1115     320.76      0.757834    320.76      
1 1 1 8  29 14 o 14.7496 4.6022  -2.70708     2.31413  1.84618      2.18468  3.97917     112.646     4.26725     292.646     
1 1 1 8  29 15 o 23.728  5.75157 5.83608      2.50518  2.71223      3.02466  14.1874     345.21      4.56133     165.21      
1 1 1 8  29 16 f 15.0982 4.7811  0.960273     2.25993  -0.509383    2.3842   5.19873     225.618     0           0           
1 1 1 8  29 17 o 32.5411 5.79798 8.79438      2.89226  7.91271      2.92434  29.7884     28.8728     12.2925     28.8729     
1 1 1 8  29 18 o 20.4505 5.4345  5.05286      2.56508  0.874503     2.49665  5.29771     139.988     3.65616     139.988     
1 1 1 8  29 19 f 27.947  6.11252 6.74008      3.14306  6.69346      2.68966  18.1046     344.319     0           0           
1 1 1 8  29 20 o 19.2674 5.62351 3.02656      2.47907  2.38833      3.01805  12.1619     102.976     0.473943    102.976     
1 1 1 8  29 21 o 21.1504 5.67468 4.23963      2.5447   3.19346      2.58495  13.2057     299.124     1.83221     119.124     
1 1 1 8  29 22 o 12.3876 4.20425 -1.54956     2.27721  -1.79325     2.36664  2.10695     241.75      7.13954     61.75       
1 1 1 8  29 23 o 28.1675 6.01204 6.10492      3.05832  7.9547       2.75066  20.3919     203.771     0.476132    203.771     
1 1 1 8  29 24 o 19.6364 5.76376 5.11238      3.19798  1.48581      2.60625  7.25969     53.1344     3.80843     53.1344     
1 1 1 8  29 25 o 19.0408 5.61812 -0.873139    3.18867  5.43547      3.01658  10.5403     353.212     2.47532     173.212     
1 1 1 8  29 26 o 15.5674 4.86119 -2.69292     2.56184  3.09696      2.51701  3.21866     342.038     0.128896    162.038     
1 1 1 8  29 27 o 14.7604 4.81443 1.27735      2.52078  -1.11813     2.69381  0.937502    325.487     0.827308    145.487     
1 1 1 8  29 28 o 13.7208 4.60364 -1.13909     2.65124  -0.402492    2.59884  0.56767     211.829     6.22756     31.8286     
1 1 1 8  29 29 o 17.5255 5.43307 1.50841      2.96858  2.8588       2.72647  4.86847     97.2315     6.84165     277.232     
1 1 1 8  29 30 o 16.5274 5.18589 0.934172     2.59422  2.70448      2.70702  3.29618     295.929     1.00572     115.929     
1 1 1 8  29 31 o 20.6636 5.75567 2.50678      2.75261  6.58606      2.92203  11.4536     210.93      2.46688     30.9305     
1 1 1 8  29 32 o 17.2478 5.43587 1.48789      2.94511  3.84907      2.98499  8.91094     312.78      0.0337428   132.78      
1 1 1 8  29 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  30 0  o 51.8449 4.01978 16.3848      3.11112  16.3848      3.11112  45.1529     180         8.78804     180         
1 1 1 8  30 1  o 16.5465 5.13158 2.25864      2.76559  -0.502246    2.29221  5.44534     31.5045     0.757757    211.505     
1 1 1 8  30 2  f 24.2182 5.14295 2.92         2.15626  5.72105      2.18023  12.0259     254.557     0           0           
1 1 1 8  30 3  o 17.1684 4.97451 1.08341      2.21989  2.06691      2.03175  6.9808      71.6552     5.60778     251.655     
1 1 1 8  30 4  o 23.5189 6.30344 3.9522       3.18497  5.29073      3.1425   1.84079     39.2005     30.5109     219.2       
1 1 1 8  30 5  o 32.2924 5.49392 6.62768      2.74008  9.04275      2.70656  29.3288     237.437     13.0232     237.437     
1 1 1 8  30 6  o 19.6732 5.46609 2.32609      2.45641  3.08142      2.41099  11.0085     17.1908     2.14888     197.191     
1 1 1 8  30 7  o 30.657  5.58513 7.40398      2.67618  6.94836      2.63102  23.0626     164.217     1.62478     164.217     
1 1 1 8  30 8  o 29.7991 5.4511  4.52293      2.63122  9.24338      2.68172  22.6104     270.473     2.06613     270.473     
1 1 1 8  30 9  o 17.6225 5.2017  1.30841      2.3545   2.27046      2.37367  9.51572     5.92928     1.27968     185.929     
1 1 1 8  30 10 o 13.6623 4.46623 -0.77086     2.1985   -0.215447    2.22397  2.43678     101.344     11.7094     281.344     
1 1 1 8  30 11 o 26.7928 5.70029 8.01653      2.64892  3.55747      3.01102  13.8183     245.074     11.8226     65.0739     
1 1 1 8  30 12 f 33.4322 5.41291 6.58756      2.75693  10.6441      2.78409  28.8314     322.886     0           0           
1 1 1 8  30 13 o 16.9158 5.1163  1.70552      2.34716  1.34892      2.39446  5.77573     198.073     2.47572     198.073     
1 1 1 8  30 14 o 18.9673 5.30517 4.18766      2.47334  0.584872     2.4474   11.0209     353.438     2.27825     173.438     
1 1 1 8  30 15 o 20.4008 5.59541 3.63379      2.49817  3.05706      2.53948  12.5457     185.087     1.46776     5.0869      
1 1 1 8  30 16 o 13.1921 4.35343 -4.44641     2.22031  1.33627      2.38485  2.36767     208.954     1.17892     28.9535     
1 1 1 8  30 17 o 24.2123 5.54628 8.10392      2.79168  1.48008      2.81387  15.9957     275.863     1.44689     95.8634     
1 1 1 8  30 18 o 15.4598 4.989   2.03643      2.88936  -1.13296     2.39349  4.78686     156.519     0.0127058   156.521     
1 1 1 8  30 19 o 21.47   6.08485 5.69402      3.13275  2.77796      3.19683  11.9543     295.339     4.60651     115.339     
1 1 1 8  30 20 o 23.1033 5.86164 4.02609      2.67079  5.80564      2.70862  14.5916     311.044     9.20568     311.044     
1 1 1 8  30 21 o 18.6874 5.56076 2.92209      2.83544  2.73268      2.60868  6.75427     121.951     11.2512     301.951     
1 1 1 8  30 22 o 23.6152 5.56908 1.90127      2.67908  7.87752      2.77388  16.5996     161.065     3.27176     161.065     
1 1 1 8  30 23 o 15.2613 5.02007 -1.02456     2.86881  1.42875      2.90834  2.21479     82.8152     11.5614     262.815     
1 1 1 8  30 24 f 16.4672 5.26845 2.85782      2.93813  -0.86335     3.00371  3.08282     203.81      0           0           
1 1 1 8  30 25 o 17.1074 5.31884 2.5572       2.77306  1.38431      2.65547  3.87525     53.9455     4.60362     233.946     
1 1 1 8  30 26 o 13.7493 4.60404 -0.53821     2.51698  -0.461064    2.67287  0.968169    48.0647     4.23922     228.065     
1 1 1 8  30 27 o 19.3642 5.6268  1.35909      2.83246  5.76854      2.91284  9.32493     263.9       1.91133     83.8995     
1 1 1 8  30 28 o 16.7955 5.21201 -0.140256    2.74105  4.19596      2.75124  1.26961     240.131     0.303958    240.131     
1 1 1 8  30 29 o 13.3251 4.50572 -1.3362      2.56634  0.263265     2.66175  3.92843     296.838     2.70858     116.838     
1 1 1 8  30 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  31 0  o 45.8131 4.89941 13.7695      3.22275  13.7695      3.22275  47.6479     360         24.2497     360         
1 1 1 8  31 1  o 34.5821 5.14906 8.12909      2.62694  9.7303       2.68716  30.6943     243.377     11.0238     243.377     
1 1 1 8  31 2  o 15.9501 4.93647 1.37715      2.24009  0.68379      2.40298  7.09222     104.981     3.96119     284.981     
1 1 1 8  31 3  o 38.8542 4.81629 6.80139      2.44746  15.65        3.05674  31.7281     221.906     5.5841      221.906     
1 1 1 8  31 4  o 16.8501 5.35906 -0.209059    3.05062  2.0947       2.89181  6.86658     29.0947     7.0675      209.095     
1 1 1 8  31 5  o 20.5618 5.60354 4.35415      2.56534  2.42008      2.55531  13.664      256.83      2.13686     256.83      
1 1 1 8  31 6  o 28.9404 5.48884 4.05518      2.74805  9.72808      2.72877  22.4915     11.133      3.89899     11.1331     
1 1 1 8  31 7  o 19.6498 5.51619 3.74971      2.51683  2.25577      2.53211  10.3983     345.766     4.60721     165.766     
1 1 1 8  31 8  o 12.7777 4.28122 -2.47754     2.27691  -0.152099    2.28244  2.7023      352.49      5.26259     172.49      
1 1 1 8  31 9  o 33.3318 5.49629 11.4145      2.85613  6.53951      2.83314  32.2098     166.619     18.0473     166.619     
1 1 1 8  31 10 o 38.0139 5.25238 12.2879      2.97289  9.80441      2.94852  32.0362     57.8917     8.21898     57.8917     
1 1 1 8  31 11 o 27.3606 5.95454 6.63932      2.74991  6.48899      2.75848  23.368      317.65      10.846      317.65      
1 1 1 8  31 12 o 18.115  5.12348 4.62717      2.50444  -1.24993     2.52065  8.2542      99.3816     6.20929     279.382     
1 1 1 8  31 13 f 14.2348 4.65552 0.0401186    2.39246  -0.148992    2.41771  9.05008     29.6638     0           0           
1 1 1 8  31 14 o 16.9955 5.20233 3.11987      2.64104  0.234579     2.50694  4.18377     179.188     13.6564     359.188     
1 1 1 8  31 15 o 17.1682 5.22393 1.01579      2.5042   2.78292      2.55314  6.76908     40.4992     7.49784     220.499     
1 1 1 8  31 16 o 15.6432 4.94239 -1.97838     2.59792  2.82892      2.61087  4.54272     13.8832     0.248329    193.883     
1 1 1 8  31 17 f 22.7885 6.1422  5.04948      2.87766  5.33525      3.10648  20.6428     12.2154     0           0           
1 1 1 8  31 18 o 12.5175 4.32643 -7.73256     2.84909  0.25369      2.81278  0.0831467   40.8805     8.00677     220.88      
1 1 1 8  31 19 o 20.4796 5.97456 2.81299      2.66587  5.39505      3.41947  4.96503     321.511     1.20786     321.511     
1 1 1 8  31 20 o 21.419  5.82073 3.31308      2.69747  5.35472      2.78885  8.28362     39.8742     0.939493    39.8742     
1 1 1 8  31 21 o 23.2368 5.54732 7.921        2.75886  1.59778      2.80951  13.079      260.275     3.27864     260.275     
1 1 1 8  31 22 o 12.4695 4.32054 -4.22445     2.82216  -1.06784     2.81484  0.188528    129.47      7.65688     129.47      
1 1 1 8  31 23 o 15.2177 4.91307 2.68462      2.5577   -2.18067     3.06544  2.39278     328.79      11.5067     148.79      
1 1 1 8  31 24 o 11.8675 4.1084  -2.01431     2.4696   -2.05513     2.57285  0.0934183   266.434     0.294547    86.4342     
1 1 1 8  31 25 o 14.1464 4.7222  -1.17832     2.68061  1.38551      2.74866  4.59399     232.883     2.81444     52.8826     
1 1 1 8  31 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  32 0  o 18.8193 6.62788 3.802        2.33088  3.802        2.33088  13.354      180         3.01678     180         
1 1 1 8  32 1  o 17.7904 5.18087 3.21214      2.26679  1.17003      2.49746  8.41052     11.0789     2.02953     11.0788     
1 1 1 8  32 2  o 25.8205 6.26056 6.02158      3.44637  7.05898      2.78901  20.0685     159.143     6.8754      159.143     
1 1 1 8  32 3  o 15.7946 5.30705 -0.52483     3.372    0.391195     3.62879  3.33174     213.147     12.6372     33.1472     
1 1 1 8  32 4  o 21.7102 6.60115 4.23646      4.05376  6.22197      3.98468  13.6157     305.115     5.52144     305.115     
1 1 1 8  32 5  o 17.6523 5.22653 -0.266657    2.57144  4.01489      2.5827   8.94599     69.0832     0.096601    69.0829     
1 1 1 8  32 6  o 18.9285 5.50614 1.61841      2.64237  4.08694      2.66732  9.79778     260.931     2.95348     260.931     
1 1 1 8  32 7  o 15.6023 5.0539  2.32163      2.98239  -1.01048     2.50886  5.247       145.611     2.36209     325.611     
1 1 1 8  32 8  o 14.8465 4.7965  1.44072      2.46358  -0.883       2.53339  3.66419     144.137     2.6165      324.137     
1 1 1 8  32 9  o 12.7721 4.32188 -1.23899     2.39334  -1.31561     2.43243  0.411878    99.2531     10.2616     279.253     
1 1 1 8  32 10 o 24.593  6.01118 5.14438      2.7731   6.41881      2.80115  15.7854     302.349     0.899979    302.349     
1 1 1 8  32 11 o 13.4172 4.48509 -1.7032      2.44309  0.112849     2.47429  0.467173    335.119     1.77132     155.119     
1 1 1 8  32 12 o 14.1502 4.67318 -0.993706    2.47814  0.553202     2.57079  0.877493    172.328     3.08452     352.328     
1 1 1 8  32 13 o 16.2381 5.11297 1.15522      2.56047  1.62908      2.6026   2.04666     21.0867     2.50974     201.087     
1 1 1 8  32 14 o 14.9133 4.8468  0.852602     2.54864  0.0669839    2.55872  0.974593    32.643      7.52516     212.643     
1 1 1 8  32 15 o 13.0366 4.4095  -0.237836    2.48142  -2.34779     2.58797  1.32371     42.2948     12.4894     42.2948     
1 1 1 8  32 16 o 16.0767 5.16159 1.02293      2.73732  1.5884       2.81825  2.85419     87.9677     9.32828     267.968     
1 1 1 8  32 17 o 14.3991 4.81556 0.402732     3.04305  -0.368214    2.57194  0.83386     345.585     1.30398     165.585     
1 1 1 8  32 18 o 26.1536 6.46955 7.48473      2.95727  8.28521      3.50895  18.2914     89.8387     3.88417     89.8387     
1 1 1 8  32 19 o 15.5167 5.00915 1.58102      2.6375   1.29103      2.68869  4.75479     249.935     2.43798     69.9352     
1 1 1 8  32 20 o 13.3332 4.57174 -2.72221     2.94072  0.303805     2.93809  1.98822     269.035     1.24059     89.0353     
1 1 1 8  32 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  32 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  33 0  o 11.9498 5.66685 0.460026     2.92366  0.460026     2.92366  1.16954     180         7.80532     180         
1 1 1 8  33 1  o 14.3981 4.6611  1.79572      2.33853  -2.56544     2.69355  0.8134      181.19      5.12645     1.19016     
1 1 1 8  33 2  o 25.6845 6.4801  8.32594      3.121    5.88698      3.86965  14.2174     122.275     6.26368     122.275     
1 1 1 8  33 3  o 12.5118 4.35664 -2.36512     3.22818  -3.1467      2.58875  0.260009    98.705      3.58301     98.705      
1 1 1 8  33 4  o 16.39   5.53492 1.38607      3.90583  -0.50396     3.95033  1.95861     104.796     2.18451     284.797     
1 1 1 8  33 5  o 14.7684 4.95844 -1.42775     3.0429   0.73581      3.08619  1.41242     256.018     5.17484     76.0185     
1 1 1 8  33 6  o 17.1891 5.35272 3.33676      2.66795  -0.0073544   3.23887  4.48535     41.1274     5.82876     221.127     
1 1 1 8  33 7  o 14.6509 4.77972 -2.00794     2.58042  2.06505      2.63167  1.76916     237.34      5.30272     57.3395     
1 1 1 8  33 8  o 17.0396 5.29062 3.42264      2.73886  0.618053     2.75987  3.23176     111.377     12.392      291.377     
1 1 1 8  33 9  o 16.3797 5.15771 0.0772552    2.67204  3.23204      2.73336  2.55982     356.508     0.888985    176.508     
1 1 1 8  33 10 o 15.4368 4.98666 2.15316      2.66684  0.105654     2.69064  3.31207     129.674     2.7518      309.674     
1 1 1 8  33 11 o 22.7061 6.00823 7.00037      2.89072  4.46203      2.97195  14.2229     17.1726     4.73843     17.1726     
1 1 1 8  33 12 o 18.2742 5.50905 1.91921      2.79078  4.58169      2.81272  8.14842     128.209     0.638281    128.209     
1 1 1 8  33 13 o 21.7021 5.972   6.20319      2.9024   4.55761      2.90643  11.4963     81.8945     4.68115     261.895     
1 1 1 8  33 14 o 17.8668 5.47383 3.07796      2.74669  3.19874      2.80944  9.34291     119.321     0.116777    119.321     
1 1 1 8  33 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  33 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  33 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 8  34 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  0  1  o 106.395 2.0709  61.7775      3.38708  61.7775      3.38708  16.3734     270         238.72      270         
1 1 1 9  0  2  o 277.319 1.90206 418.863      8.12083  418.863      8.12083  168.568     2.32166e-06 201.243     180         
1 1 1 9  0  3  o 94.4586 2.12197 48.7301      3.07947  48.7301      3.07947  61.4825     90          305.736     90          
1 1 1 9  0  4  o 370.324 2.19164 746.899      12.496   746.899      12.496   426.021     360         133.358     360         
1 1 1 9  0  5  o 356.829 2.18897 693.469      12.0259  693.469      12.0259  396.435     270         100.56      270         
1 1 1 9  0  6  o 75.0545 2.58174 30.8924      2.9677   30.8924      2.9677   22.9753     180         31.9717     2.23118e-05 
1 1 1 9  0  7  o 309.422 2.19148 521.487      10.4395  521.487      10.4395  271.79      90          56.3245     270         
1 1 1 9  0  8  o 429.622 2.19898 1005.2       14.5461  1005.2       14.5461  391.977     360         48.6232     180         
1 1 1 9  0  9  o 71.814  3.46832 28.4799      3.79372  28.4799      3.79372  23.8112     90          168.923     90          
1 1 1 9  0  10 o 335.815 2.42716 614.284      12.5483  614.284      12.5483  231.559     180         186.972     360         
1 1 1 9  0  11 o 421.816 2.71826 969.204      17.6532  969.204      17.6532  452.049     270         88.0289     270         
1 1 1 9  0  12 o 273.27  2.72445 406.924      11.4595  406.924      11.4595  302.889     180         77.4544     180         
1 1 1 9  0  13 o 49.8944 3.16715 13.8836      2.38611  13.8836      2.38611  44.9089     90          129.378     90          
1 1 1 9  0  14 o 472.321 1.92893 1214.89      14.0285  1214.89      14.0285  523.217     180         134.682     180         
1 1 1 9  0  15 f 68.4079 2.59249 25.705       2.71292  25.705       2.71292  135.556     270         0           0           
1 1 1 9  0  16 o 38.021  4.07026 8.39926      2.22158  8.39926      2.22158  17.6746     5.57661e-06 44.0141     5.57661e-06 
1 1 1 9  0  17 o 12.7044 5.34499 0.941362     1.83072  0.941362     1.83072  2.06789     269.999     4.22786     269.999     
1 1 1 9  0  18 o 42.5719 3.62652 10.2978      2.28597  10.2978      2.28597  55.2286     180         162.509     180         
1 1 1 9  0  19 o 108.666 2.15628 64.4646      3.60174  64.4646      3.60174  47.8646     90          112.702     270         
1 1 1 9  0  20 f 39.8331 2.93447 8.92289      1.75117  8.92289      1.75117  72.9645     180         0           0           
1 1 1 9  0  21 o 50.8358 2.584   14.2965      1.99829  14.2965      1.99829  5.78143     270         18.0602     90          
1 1 1 9  0  22 o 40.0636 2.91494 9.02131      1.75095  9.02131      1.75095  4.50103     180         37.8983     180         
1 1 1 9  0  23 o 11.1824 4.67023 0.763868     1.37915  0.763868     1.37915  27.3065     90          57.0092     90          
1 1 1 9  0  24 o 43.8456 2.8539  10.7416      1.88732  10.7416      1.88732  3.16767     180         10.6999     360         
1 1 1 9  0  25 o 17.0195 5.33391 2.27947      1.47376  2.27947      1.47376  17.1206     90          38.1226     90          
1 1 1 9  0  26 o 75.1923 2.24138 30.9712      2.58473  30.9712      2.58473  57.9593     180         31.1407     180         
1 1 1 9  0  27 f 93.1178 2.13746 47.395       3.05761  47.395       3.05761  170.102     270         0           0           
1 1 1 9  0  28 o 132.708 2.03361 96.0925      4.15139  96.0925      4.15139  175.238     2.14266e-06 98.7825     2.14266e-06 
1 1 1 9  0  29 o 107.095 2.1041  62.6423      3.4639   62.6423      3.4639   120.59      270         38.3873     270         
1 1 1 9  0  30 o 195.636 1.97619 208.669      5.95068  208.669      5.95068  146.709     180         76.4317     8.65151e-06 
1 1 1 9  0  31 o 35.453  3.7427  7.30437      1.90926  7.30437      1.90926  7.84646     270         73.3953     270         
1 1 1 9  0  32 o 128.132 2.06182 89.6196      4.06342  89.6196      4.06342  107.778     180         25.7906     360         
1 1 1 9  0  33 o 144.593 2.06168 114.1        4.58627  114.1        4.58627  154.521     90          37.2145     90          
1 1 1 9  0  34 o 234.529 2.24472 300.129      8.10343  300.129      8.10343  270.396     180         100.766     180         
1 1 1 9  0  35 o 130.834 2.32992 93.5712      4.68738  93.5712      4.68738  108.575     270         27.8216     90          
1 1 1 9  0  36 o 85.5398 2.30428 40.1095      3.02523  40.1095      3.02523  78.5378     360         2.7502      180         
1 1 1 9  0  37 f 14.8118 5.77931 1.69134      1.91716  1.69134      1.91716  47.403      270         0           0           
1 1 1 9  0  38 o 23.8036 6.68627 4.34423      2.36547  4.34423      2.36547  0.778929    360         2.0261      180         
1 1 1 9  0  39 o 17.3444 6.08467 2.48052      1.96098  2.48052      1.96098  5.98108     90          30.4805     90          
1 1 1 9  0  40 f 59.5973 2.57838 19.6772      2.34576  19.6772      2.34576  55.352      0           0           0           
1 1 1 9  0  41 o 10.3353 4.78583 -0.191151    1.8914   -0.191151    1.8914   5.14665     90.0001     15.806      90.0001     
1 1 1 9  0  42 o 10.0944 4.6684  -0.153997    1.79144  -0.153997    1.79144  4.78735     8.65132e-06 14.74       8.65132e-06 
1 1 1 9  0  43 o 31.565  4.19936 6.08115      1.83015  6.08115      1.83015  31.0699     90          4.86998     90          
1 1 1 9  0  44 o 25.9186 5.08075 4.52012      1.75386  4.52012      1.75386  0.525249    8.65144e-06 48.5343     8.65148e-06 
1 1 1 9  0  45 o 10.2267 4.5864  0.279547     1.56448  0.279547     1.56448  1.57384     270         7.46139     270         
1 1 1 9  0  46 o 61.4932 2.59922 21.0887      2.44094  21.0887      2.44094  60.2368     180         8.33562     180         
1 1 1 9  0  47 o 24.4217 5.47086 4.27078      1.80929  4.27078      1.80929  22.0594     270         15.0017     270         
1 1 1 9  0  48 o 12.9562 5.30767 1.29704      1.72506  1.29704      1.72506  0.621551    0           2.05232     180         
1 1 1 9  0  49 o 29.346  4.8761  5.63492      1.91439  5.63492      1.91439  26.6113     270         0.356979    270         
1 1 1 9  0  50 o 17.8874 5.93374 2.80118      1.83231  2.80118      1.83231  10.4669     360         6.19694     180         
1 1 1 9  0  51 o 10.3252 4.70209 0.253756     1.72338  0.253756     1.72338  0.531466    270         6.36988     270         
1 1 1 9  0  52 o 12.6153 5.38971 1.19308      1.91845  1.19308      1.91845  0.241229    180         0.11993     0.000294439 
1 1 1 9  0  53 o 30.7112 4.99725 6.34741      2.05736  6.34741      2.05736  32.1362     90          9.41854     90          
1 1 1 9  0  54 o 15.2739 6.22599 2.24738      2.35553  2.24738      2.35553  0.279277    6.77474e-08 0.044783    6.77474e-08 
1 1 1 9  0  55 o 14.0229 5.82688 1.83811      2.12796  1.83811      2.12796  8.18929     90          4.2599      270         
1 1 1 9  0  56 o 18.1138 6.61955 3.44813      2.37408  3.44813      2.37408  16.0673     180         9.13078     180         
1 1 1 9  0  57 o 11.0177 5.01586 0.619296     1.95904  0.619296     1.95904  2.80851     90          4.15957     270         
1 1 1 9  0  58 o 26.2868 6.79711 6.15446      2.53664  6.15446      2.53664  28.5152     180         11.0996     180         
1 1 1 9  0  59 o 23.6261 7.02984 5.51119      2.57433  5.51119      2.57433  24.2296     270         10.0716     270         
1 1 1 9  0  60 o 18.2939 6.41528 3.58423      2.17949  3.58423      2.17949  10.1251     180         1.86653     180         
1 1 1 9  0  61 o 22.1478 6.85802 5.18544      2.43758  5.18544      2.43758  22.8205     270         11.7739     270         
1 1 1 9  0  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  1  0  f 170.642 1.94586 158.673      5.11013  158.673      5.11013  243.388     270         0           0           
1 1 1 9  1  1  o 504.425 1.9171  1385         14.8882  1386.17      14.8943  546.315     192.564     121.759     192.564     
1 1 1 9  1  2  o 397.678 2.03315 858.153      12.4434  864.294      12.4577  331.499     142.246     100.765     322.246     
1 1 1 9  1  3  o 477.259 2.04326 1240.46      15.0127  1240.34      15.0201  458.858     4.99556     0.921591    184.995     
1 1 1 9  1  4  o 446.481 2.11905 1086.37      15.0967  1084.83      14.0225  417.704     98.9581     23.0667     278.958     
1 1 1 9  1  5  o 252.377 2.55926 331.727      10.4143  362.434      9.39168  276.112     337.078     80.3018     337.078     
1 1 1 9  1  6  o 101.33  2.66649 57.989       4.17115  54.0534      4.13314  47.4852     72.6461     69.8544     252.646     
1 1 1 9  1  7  o 143.208 2.52129 105.591      5.53748  118.06       5.56606  115.918     4.52926     18.6086     184.529     
1 1 1 9  1  8  o 398.935 2.20856 870.887      13.5772  862.599      13.5577  393.221     230.361     23.3381     230.361     
1 1 1 9  1  9  o 408.947 2.04902 910.843      12.9103  910.668      12.8964  411.788     176.344     41.9771     176.344     
1 1 1 9  1  10 o 458.912 2.06378 1157.98      14.5979  1135.92      14.5698  547.522     311.557     219.116     311.557     
1 1 1 9  1  11 o 290.213 2.57365 465.617      12.1585  451.963      10.8238  296.269     164.511     48.5085     164.511     
1 1 1 9  1  12 o 560.724 2.60287 1737.65      21.2318  1687.87      23.6157  633.709     308.053     193.764     308.053     
1 1 1 9  1  13 o 408.761 2.56115 920.082      15.2402  900.309      16.9373  466.411     198.842     158.749     198.842     
1 1 1 9  1  14 o 391.487 2.71725 843.715      13.4655  826.274      18.8006  326.998     211.373     89.528      31.3729     
1 1 1 9  1  15 o 197.814 2.18632 213.294      6.42815  212.995      6.88334  139.879     214.514     80.4677     34.5143     
1 1 1 9  1  16 o 247.042 2.066   326.553      7.85651  338.362      7.86053  206.732     6.08357     46.3828     186.084     
1 1 1 9  1  17 o 96.264  2.31041 49.2319      3.41118  51.875       3.42721  26.4847     325.142     7.79336     325.142     
1 1 1 9  1  18 o 147.12  2.14002 117.109      4.83466  118.733      4.86172  131.963     97.695      4.69306     97.695      
1 1 1 9  1  19 o 64.9152 2.5443  20.4482      2.51188  25.7826      2.53021  7.66453     346.567     3.62065     166.567     
1 1 1 9  1  20 o 162.982 1.95953 149.001      4.92661  140.512      4.90664  140.896     232.156     17.5546     52.1564     
1 1 1 9  1  21 o 324.628 1.97877 574.369      10.2137  574.095      9.55903  284.663     318.979     47.1055     138.979     
1 1 1 9  1  22 o 177.457 2.09337 171.864      6.08611  171.393      5.33069  123.695     132.226     84.4118     312.226     
1 1 1 9  1  23 o 150.093 2.04007 122.904      4.85683  122.666      4.56938  144.857     116.105     13.8198     116.105     
1 1 1 9  1  24 o 192.828 1.94362 200.664      5.76697  204.651      5.77521  228.408     112.203     99.9544     112.203     
1 1 1 9  1  25 o 134.425 2.07607 103.589      4.46526  93.5656      4.13183  132.921     183.263     22.8332     183.263     
1 1 1 9  1  26 o 166.578 1.96587 149.753      5.05017  152.789      5.03463  159.18      173.709     11.0872     173.709     
1 1 1 9  1  27 o 125.337 2.07984 81.1667      3.89359  90.2741      4.13551  116.255     145.123     5.91369     145.123     
1 1 1 9  1  28 o 44.0682 2.8428  10.6935      1.90322  10.6921      1.91257  5.38176     12.4539     77.7166     12.4539     
1 1 1 9  1  29 o 147.593 2.01648 120          4.58538  117.59       4.58029  132.803     218.977     7.72563     38.9772     
1 1 1 9  1  30 o 165.274 2.07585 154.927      5.49052  143.15       5.07776  134.546     320.46      38.3627     140.46      
1 1 1 9  1  31 o 125.97  2.07316 83.4148      4.01261  89.7668      4.02685  110.185     7.7706      10.2172     187.771     
1 1 1 9  1  32 f 128.387 2.06625 89.452       4.07823  90.4184      4.09174  129.671     295.51      0           0           
1 1 1 9  1  33 o 103.524 2.28804 57.9151      3.63354  59.2452      3.65231  74.9242     26.5324     39.0331     206.532     
1 1 1 9  1  34 o 124.98  2.35897 83.0023      4.53147  87.8723      4.5377   118.956     55.9827     7.96526     55.9828     
1 1 1 9  1  35 o 85.3766 2.39589 39.1958      3.13069  40.6677      3.15619  52.9063     58.0854     49.1505     238.085     
1 1 1 9  1  36 o 130.754 2.33139 89.0603      4.85903  98.2464      4.48974  102.017     109.819     36.6268     289.819     
1 1 1 9  1  37 o 14.2412 4.48555 -0.840148    2.02222  -0.592604    1.95485  16.7485     17.8613     42.9121     17.8613     
1 1 1 9  1  38 o 168.786 2.32931 156.719      6.05372  155.763      6.05452  160.414     149.761     9.33482     149.761     
1 1 1 9  1  39 o 87.3045 2.41223 39.6823      3.22593  44.2862      3.24076  79.958      199.822     1.61507     199.822     
1 1 1 9  1  40 o 27.7993 4.86273 4.71305      2.07087  4.42478      2.07018  9.46409     316.709     66.2412     316.709     
1 1 1 9  1  41 o 56.0046 3.28578 19.1496      2.4798   16.1328      3.02996  62.0816     109.356     25.5035     109.356     
1 1 1 9  1  42 o 30.7419 4.28865 5.80002      1.95334  5.31769      1.96219  22.004      313.166     6.24567     133.166     
1 1 1 9  1  43 o 17.9425 4.57337 2.51989      1.75348  0.521644     1.62158  1.61409     70.5246     29.608      70.5246     
1 1 1 9  1  44 o 34.2275 3.70213 5.64268      1.86632  8.04497      1.8637   26.5069     279.04      4.95216     99.0398     
1 1 1 9  1  45 o 36.3859 3.70266 5.43514      1.9096   10.308       1.97022  43.3996     140.465     31.8469     140.465     
1 1 1 9  1  46 o 24.4947 4.76655 3.69888      1.75056  3.68104      1.96216  19.8896     269.942     0.34681     269.942     
1 1 1 9  1  47 o 33.0778 3.90002 6.33453      1.92655  6.71601      1.90485  27.8774     357.097     0.756957    177.097     
1 1 1 9  1  48 o 62.1388 2.65523 22.5765      2.51707  21.2226      2.53775  57.5919     69.2643     4.53039     69.2643     
1 1 1 9  1  49 o 14.5482 4.37681 0.13627      1.71254  0.566907     1.72717  1.24839     229.501     15.1129     49.5015     
1 1 1 9  1  50 o 59.9432 2.73904 19.7399      2.50843  21.4744      2.51758  63.4979     231.209     21.3717     231.209     
1 1 1 9  1  51 o 29.6411 4.66723 6.89801      2.04777  4.64861      2.13144  20.8794     140.492     7.88853     320.492     
1 1 1 9  1  52 o 34.429  4.47417 8.50553      2.2802   6.96631      2.27954  37.4061     108.383     17.2699     108.383     
1 1 1 9  1  53 o 28.932  4.70866 5.23458      2.0269   6.12907      2.08617  25.0095     141.176     1.75065     141.176     
1 1 1 9  1  54 o 14.6056 4.62364 0.246304     2.24374  0.0276493    2.03161  4.48679     309.975     1.09701     129.975     
1 1 1 9  1  55 o 16.7554 4.95379 -0.601624    2.30941  2.79482      2.2682   9.45894     323.738     3.83921     323.738     
1 1 1 9  1  56 o 22.9264 5.53968 4.46884      2.43786  4.07548      2.26062  22.438      140.386     14.3279     140.386     
1 1 1 9  1  57 o 16.0304 4.91876 1.31648      2.31997  1.22067      2.18033  9.78374     94.797      0.258028    274.797     
1 1 1 9  1  58 o 16.7973 4.96612 0.371017     2.04584  3.20533      2.36861  10.7343     356.484     1.10145     176.484     
1 1 1 9  1  59 o 26.9615 5.50055 5.57955      2.38655  6.79412      2.45374  21.5725     283.623     0.749398    283.624     
1 1 1 9  1  60 o 20.6455 5.27379 2.83256      2.23027  4.48149      2.17784  12.5443     169.829     4.07484     169.829     
1 1 1 9  1  61 o 14.9056 4.63094 1.94958      2.06628  0.613572     2.08314  5.38053     30.734      0.18138     30.734      
1 1 1 9  1  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  2  0  o 614.881 2.46046 2058.96      23.2952  2058.96      23.2952  662.296     90          131.814     90          
1 1 1 9  2  1  o 294.692 2.30103 467.894      10.8821  478.039      9.97114  258.26      123.673     43.5678     303.673     
1 1 1 9  2  2  o 102.155 2.43383 57.1853      3.83571  56.6141      3.81052  30.4862     232.703     110.63      52.7027     
1 1 1 9  2  3  o 153.791 2.28759 140.13       5.41651  117.965      5.39064  91.0159     318.387     97.4829     138.387     
1 1 1 9  2  4  o 330.711 2.1967  609.067      11.1971  582.329      11.1729  333.561     86.4286     37.4101     86.4286     
1 1 1 9  2  5  o 228.368 2.32285 282.67       7.79762  285.389      8.52654  124.09      258.053     183.502     78.0525     
1 1 1 9  2  6  o 514.669 2.43599 1431.11      19.3108  1454.26      19.3002  457.527     134.655     75.8416     314.655     
1 1 1 9  2  7  o 330.474 2.3954  609.26       12.2057  580.54       12.1698  262.007     352.013     106.389     172.013     
1 1 1 9  2  8  o 65.0196 2.88128 21.7687      2.86777  24.5107      2.86456  14.1471     354.048     103.792     354.048     
1 1 1 9  2  9  o 452.077 1.98252 1102.53      13.3515  1123.48      14.2441  438.345     138.209     11.0137     138.209     
1 1 1 9  2  10 o 232.474 2.24027 288.915      8.05456  299.815      7.98146  146.856     24.2077     141.438     204.208     
1 1 1 9  2  11 o 459.94  2.30963 1130.49      15.6254  1174.09      17.0816  507.967     60.2201     138.695     60.2201     
1 1 1 9  2  12 o 248.234 2.43302 347.643      9.30963  323.848      9.28311  175.901     39.6849     111.561     219.685     
1 1 1 9  2  13 o 219.741 2.76467 260.307      9.34482  265.826      9.36465  186.085     256.613     28.9736     76.6127     
1 1 1 9  2  14 o 425.704 2.34531 995.063      16.1084  979.293      14.6152  418.944     357.415     29.4721     357.415     
1 1 1 9  2  15 o 234.131 2.29503 299.709      7.47992  297.52       8.99371  170.144     79.4219     94.0435     259.422     
1 1 1 9  2  16 f 454.555 2.15021 1141.11      14.4982  1110.08      15.5673  417.511     358.019     0           0           
1 1 1 9  2  17 o 56.8869 2.66258 18.3247      2.1841   17.1111      2.43574  2.02687     66.849      22.3752     66.849      
1 1 1 9  2  18 o 133.896 2.23028 92.3624      4.41931  103.151      4.78004  92.6888     193.282     52.4433     13.2817     
1 1 1 9  2  19 o 224.16  2.06282 262.113      7.09974  285.678      7.13272  229.911     1.32671     41.6069     1.32671     
1 1 1 9  2  20 o 172.08  2.10145 162.606      5.56994  160.112      5.56688  152.792     148.678     11.8787     328.678     
1 1 1 9  2  21 o 60.8961 2.49541 20.4051      2.42023  20.1654      2.23705  22.3084     304.937     32.5615     124.937     
1 1 1 9  2  22 o 157.322 1.96402 133.428      4.75919  136.336      4.75641  182.235     296.071     78.9894     296.071     
1 1 1 9  2  23 o 124.1   2.01115 85.7867      3.84779  82.1104      3.83767  142.536     352.452     67.7727     352.452     
1 1 1 9  2  24 o 129.971 1.99491 93.8502      3.99735  90.3167      3.987    114.026     302.596     7.98507     122.596     
1 1 1 9  2  25 o 27.5943 3.8112  4.84962      1.57535  3.79044      1.54553  23.7203     100.133     66.9771     100.133     
1 1 1 9  2  26 f 47.1064 2.79188 11.5444      2.05274  12.8692      1.94736  51.6192     331.06      0           0           
1 1 1 9  2  27 o 56.1466 2.56933 16.9302      2.24001  17.6245      2.1764   17.6286     297.181     3.55876     297.181     
1 1 1 9  2  28 o 104.521 2.10305 61.7661      3.39898  57.5243      3.36184  82.2582     97.4799     23.8054     277.48      
1 1 1 9  2  29 o 66.5211 2.40595 24.2513      2.45754  24.1703      2.45516  49.8769     64.3418     11.0833     244.342     
1 1 1 9  2  30 o 59.5286 2.57334 21.4334      2.35451  17.5031      2.32455  48.3871     145.339     10.6739     145.339     
1 1 1 9  2  31 o 149.007 2.01797 120.767      4.63383  121.452      4.62675  126.142     103.758     22.9747     283.758     
1 1 1 9  2  32 o 62.0133 2.57071 20.9026      2.4447   21.2577      2.44333  51.7495     341.687     30.5401     341.687     
1 1 1 9  2  33 f 210.831 2.1019  249.399      6.83826  235.944      6.80652  204.284     175.968     0           0           
1 1 1 9  2  34 o 81.741  2.53343 39.0359      3.08876  34.2559      3.24989  47.8159     68.7729     52.7042     248.773     
1 1 1 9  2  35 o 97.4164 2.41342 49.9427      3.44186  54.0501      3.78885  110.459     158.003     46.5054     158.003     
1 1 1 9  2  36 o 68.4397 2.8987  22.3432      3.01811  29.5065      3.01602  66.263      321.566     14.8954     321.566     
1 1 1 9  2  37 o 89.2937 2.78702 42.1542      3.97581  45.6528      3.64336  95.3323     69.7242     31.2921     69.7242     
1 1 1 9  2  38 o 92.0162 2.37945 46.043       3.35999  46.9987      3.37161  87.1303     328.064     7.76496     328.064     
1 1 1 9  2  39 o 61.9352 2.70932 20.1983      2.55875  22.2634      2.57998  73.084      111.741     40.1257     111.741     
1 1 1 9  2  40 o 73.452  2.7644  30.8324      3.11909  28.991       3.1098   65.6351     19.8334     1.58108     199.833     
1 1 1 9  2  41 o 18.687  4.66533 2.41864      1.68975  1.01734      1.74827  2.34535     253.723     32.3549     253.723     
1 1 1 9  2  42 o 37.235  3.74776 7.65536      2.20844  8.28262      1.94002  22.9667     14.75       18.5474     194.75      
1 1 1 9  2  43 o 50.429  3.09062 11.6165      2.32563  17.3505      2.34543  50.9543     336.907     13.3827     336.907     
1 1 1 9  2  44 o 39.9104 3.50165 7.75954      2.14313  10.6276      1.97615  29.1867     310.688     11.1301     130.688     
1 1 1 9  2  45 o 27.3684 4.35746 3.96606      1.7968   5.07808      1.79539  26.0104     266.353     11.1264     266.353     
1 1 1 9  2  46 o 22.3851 4.63899 2.08869      1.76155  3.95666      1.7491   18.1314     145.798     1.74286     145.798     
1 1 1 9  2  47 o 20.8036 4.69256 1.79892      1.73292  3.37355      1.74583  14.9772     280.653     2.42993     280.653     
1 1 1 9  2  48 o 67.2058 2.54897 27.2826      2.66551  23.8311      2.58625  61.3657     307.908     2.77685     307.908     
1 1 1 9  2  49 o 12.0059 3.88853 -1.27624     1.64341  -0.462808    1.61793  0.486868    322.67      9.60755     322.67      
1 1 1 9  2  50 o 18.354  4.79866 2.26589      1.78972  1.5089       1.82998  8.44566     251.806     8.22696     71.8058     
1 1 1 9  2  51 o 73.4738 2.65908 30.1606      2.98238  32.0451      3.01326  84.1099     172.328     38.1671     172.328     
1 1 1 9  2  52 o 14.668  4.36357 -1.11347     1.79102  1.72422      1.80227  4.32871     355.91      12.1571     175.91      
1 1 1 9  2  53 o 26.2936 5.30202 6.31988      2.36097  3.70401      2.26076  21.6793     91.5099     0.505146    91.5099     
1 1 1 9  2  54 f 21.685  5.34817 1.69049      2.40732  4.91842      2.31694  13.7961     348.28      0           0           
1 1 1 9  2  55 o 22.4495 5.43845 3.73554      2.27462  4.08773      2.25922  11.4372     140.706     13.9475     320.706     
1 1 1 9  2  56 o 21.8558 5.25683 2.46577      2.19772  4.96118      2.21945  16.8337     173.246     0.974421    353.246     
1 1 1 9  2  57 o 15.4308 4.87336 0.991396     2.26197  0.557318     2.47923  8.7617      219.168     0.877196    39.168      
1 1 1 9  2  58 o 17.5081 5.07885 1.84157      2.18891  2.58741      2.20549  12.2703     233.812     2.46579     233.812     
1 1 1 9  2  59 o 14.0336 4.46405 1.39634      2.02128  -1.10697     2.19908  3.79318     228.121     3.88998     48.1209     
1 1 1 9  2  60 o 21.3208 5.58594 4.51684      2.50654  3.84662      2.36631  13.1889     200.966     5.30294     200.966     
1 1 1 9  2  61 o 28.6131 5.14239 8.55271      2.32505  5.6604       2.32578  28.9183     253.972     13.4105     253.972     
1 1 1 9  2  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  3  0  o 182.352 2.45867 181.267      6.89834  181.267      6.89834  176.829     270         0.391327    270         
1 1 1 9  3  1  o 668.225 2.27079 2453.71      23.3807  2409.98      23.3507  765.614     174.863     242.941     174.863     
1 1 1 9  3  2  o 266.221 2.3099  391.919      9.03367  380.102      9.8722   286.298     287.735     72.7874     287.735     
1 1 1 9  3  3  o 250.979 2.30744 319.648      8.48694  367.291      9.35561  174.666     100.729     125.617     280.729     
1 1 1 9  3  4  o 196.151 2.34737 197.992      6.75781  221.424      7.42769  116.685     250.59      132.714     70.5902     
1 1 1 9  3  5  o 425.915 2.31835 1008.65      14.5208  967.484      15.8291  531.26      200.436     250.336     200.436     
1 1 1 9  3  6  o 304.556 2.55495 514.824      11.3418  495.666      12.565   341.639     246.525     109.518     246.525     
1 1 1 9  3  7  o 286.728 2.12023 441.111      9.00552  454.399      9.71298  225.171     16.7628     92.5235     196.763     
1 1 1 9  3  8  f 253.044 2.05737 347.654      8.02037  349.769      8.01307  160.418     17.0486     0           0           
1 1 1 9  3  9  o 365.373 1.97884 722.122      10.7674  731.912      11.4926  391.663     47.1932     90.7553     47.1932     
1 1 1 9  3  10 o 447.197 2.21927 1091.37      15.3001  1087.01      15.2652  402.883     271.431     48.6564     91.4308     
1 1 1 9  3  11 o 134.086 2.56496 102.391      5.29919  93.7192      5.27639  109.765     324.942     16.8248     324.942     
1 1 1 9  3  12 o 172.498 2.49561 161.096      6.63133  163.077      6.62654  157.302     347.408     17.9653     347.408     
1 1 1 9  3  13 o 167.575 2.40179 150.626      5.93601  155.324      6.45549  146.045     99.1773     7.61298     99.1773     
1 1 1 9  3  14 o 65.0444 2.52169 19.7326      2.42561  26.7726      2.58293  14.9891     179.119     82.489      179.119     
1 1 1 9  3  15 o 296.426 2.05934 479.403      9.4051   477.836      9.3952   296.21      248.411     37.8393     248.411     
1 1 1 9  3  16 o 91.4796 2.36603 46.8097      3.32855  44.5142      3.32469  0.608709    257.103     151.207     257.103     
1 1 1 9  3  17 o 141.113 2.16872 102.087      4.69032  115.08       4.72419  153.087     55.6629     85.4409     55.6629     
1 1 1 9  3  18 o 390.623 1.91692 829.756      11.5259  832.7        11.5352  410.505     344.63      78.72       344.63      
1 1 1 9  3  19 f 103.824 2.08258 54.965       3.30878  62.7254      3.3343   84.8611     278.614     0           0           
1 1 1 9  3  20 o 109.827 2.28561 66.6374      3.72945  64.9624      3.98496  93.9017     310.573     1.14831     130.572     
1 1 1 9  3  21 o 86.077  2.53237 41.8377      3.0901   39.1222      3.57116  65.0285     322.262     9.57986     142.262     
1 1 1 9  3  22 o 197.485 2.08877 205.077      6.35995  220.191      6.3373   151.991     22.0647     66.5137     202.065     
1 1 1 9  3  23 o 238.746 1.91938 309.294      7.05512  311.994      7.05773  168.249     57.7339     113.909     237.734     
1 1 1 9  3  24 o 87.6031 2.14178 40.6184      2.88611  43.1794      2.88147  0.407737    57.5532     158.519     57.553      
1 1 1 9  3  25 o 123.834 2.026   84.7195      3.85959  82.4877      3.86657  91.0091     120.223     42.7328     300.223     
1 1 1 9  3  26 o 121.598 2.02974 81.9917      3.80638  79.2546      3.7943   94.5248     258.768     31.0355     78.7679     
1 1 1 9  3  27 o 146.848 1.99832 118.967      4.51356  116.195      4.52345  158.872     211.759     49.9856     211.759     
1 1 1 9  3  28 o 280.388 1.92916 421.665      8.32233  435.68       8.3351   238.682     170.594     50.1478     350.594     
1 1 1 9  3  29 o 91.6425 2.22954 44.0856      3.06439  47.6922      3.2194   82.2287     277.748     2.23739     277.748     
1 1 1 9  3  30 o 84.2211 2.33183 41.2471      3.12804  36.3641      2.90942  96.6442     56.4051     60.1668     56.4051     
1 1 1 9  3  31 o 151.602 2.09241 120.081      4.99671  130.812      4.75248  151.53      266.878     24.2026     266.878     
1 1 1 9  3  32 o 128.501 2.31686 91.7048      4.34918  88.681       4.79543  140.21      213.247     46.747      213.247     
1 1 1 9  3  33 o 47.6243 3.31808 11.6519      2.48132  13.4805      2.2893   32.6849     275.558     7.3916      95.5577     
1 1 1 9  3  34 o 189.341 2.05513 195.407      5.81572  196.139      6.16386  197.142     156.024     42.9076     156.024     
1 1 1 9  3  35 o 91.1061 2.70896 46.7763      3.62716  44.3451      3.93931  102.603     188.799     43.5192     188.799     
1 1 1 9  3  36 o 80.5877 2.90117 35.0521      3.5834   36.46        3.59247  89.9825     210.703     40.0382     210.703     
1 1 1 9  3  37 o 34.8537 3.69981 5.18004      1.8588   8.77707      1.89893  16.8246     81.8253     16.1734     261.825     
1 1 1 9  3  38 o 52.2843 3.21711 15.208       2.57128  15.2202      2.55748  50.6243     147.101     14.0868     147.101     
1 1 1 9  3  39 o 69.9033 2.74968 31.9745      2.8174   22.4999      2.97415  57.987      180.31      9.56789     0.310173    
1 1 1 9  3  40 o 60.5459 2.53716 21.3497      2.34145  19.263       2.36204  48.8566     221.695     11.0444     41.6954     
1 1 1 9  3  41 o 18.8372 4.68738 0.700145     1.77423  2.70713      1.76431  3.85944     184.498     16.4903     4.49814     
1 1 1 9  3  42 o 60.2127 2.78816 19.5187      2.54829  20.9741      2.59243  65.7454     57.4604     24.6428     57.4604     
1 1 1 9  3  43 o 39.4053 3.33477 10.2285      1.93773  7.57944      1.97583  45.6597     210.732     28.4328     210.732     
1 1 1 9  3  44 o 20.5499 4.82762 3.06185      1.81739  1.68967      1.82364  2.66142     169.052     26.7124     349.052     
1 1 1 9  3  45 o 18.8817 4.67502 2.77112      1.78907  0.996907     1.67461  6.47014     44.6206     1.91273     44.6206     
1 1 1 9  3  46 o 42.2681 3.20735 10.993       2.04151  9.55037      2.05661  35.6208     99.6178     3.44488     279.618     
1 1 1 9  3  47 o 19.6909 4.58193 3.38274      1.70699  0.941665     1.74342  11.7441     272.494     3.27625     272.494     
1 1 1 9  3  48 o 31.4922 4.1723  4.89183      1.93047  7.32245      1.94746  25.8983     115.517     0.698839    295.517     
1 1 1 9  3  49 o 54.1514 2.86835 16.6383      2.35962  16.986       2.38932  45.0155     30.0835     5.51768     210.083     
1 1 1 9  3  50 o 53.8331 3.04276 17.7967      2.51289  15.9538      2.48461  67.0276     231.741     41.1012     231.741     
1 1 1 9  3  51 o 26.9929 4.79907 3.737        2.00806  6.0454       2.0471   26.0522     208.562     10.4558     208.562     
1 1 1 9  3  52 o 34.4772 4.38749 8.10313      2.24916  7.36684      2.23617  34.8718     299.393     11.3636     299.393     
1 1 1 9  3  53 o 30.9765 5.84717 6.3339       2.65565  8.19539      3.03759  28.6949     105.516     6.28511     105.516     
1 1 1 9  3  54 o 51.2065 3.46749 18.5097      2.6796   14.0836      2.6676   55.3373     143.428     21.9671     143.428     
1 1 1 9  3  55 o 17.8095 5.03249 3.23021      2.29303  0.74259      1.99087  12.526      299.9       0.926185    119.9       
1 1 1 9  3  56 o 20.0914 5.42419 3.13356      2.17653  3.17431      2.50811  12.5458     356.231     6.49638     176.231     
1 1 1 9  3  57 o 15.033  4.58798 -0.843741    2.08431  2.10882      2.02713  6.25893     215.027     8.81574     35.0267     
1 1 1 9  3  58 o 15.5581 4.79783 1.33079      2.14498  1.0769       2.18548  6.20928     111.991     2.10719     111.991     
1 1 1 9  3  59 o 15.9873 4.8626  1.61197      2.05553  1.35034      2.28194  5.7926      264.554     1.5703      84.5542     
1 1 1 9  3  60 o 25.3298 5.39609 6.71897      2.30852  4.47342      2.40092  21.5351     282.637     6.41175     282.637     
1 1 1 9  3  61 o 11.36   3.88286 -0.96814     2.09757  -1.83334     2.02795  2.07196     69.7965     6.9669      249.797     
1 1 1 9  3  62 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  4  0  o 216.924 2.23509 256.393      7.46249  256.393      7.46249  302.808     270         186.692     270         
1 1 1 9  4  1  o 220.998 2.33384 263.592      7.5825   268.407      8.29221  89.2417     100.44      238.296     280.44      
1 1 1 9  4  2  o 502.885 2.33344 1388.18      17.2391  1366.49      18.851   553.279     54.3988     142.373     54.3988     
1 1 1 9  4  3  o 379.342 2.19891 782.553      12.8431  784.82       12.8465  307.377     330.047     110.341     150.047     
1 1 1 9  4  4  o 385.749 2.03834 810.158      12.099   810.543      12.1169  334.143     192.895     68.5336     12.8953     
1 1 1 9  4  5  o 747.588 1.99361 3001.16      22.9314  3086.29      22.9668  793.907     9.78912     148.41      9.78912     
1 1 1 9  4  6  o 220.704 2.06766 271.675      7.0437   258.946      7.00837  169.51      188.854     71.1498     8.85421     
1 1 1 9  4  7  o 77.4022 2.5852  31.4346      2.96592  34.0016      3.18044  62.8009     218.608     251.621     218.608     
1 1 1 9  4  8  o 93.5457 2.66786 48.7337      3.62694  46.7652      4.02327  18.9053     237.384     103.268     57.3837     
1 1 1 9  4  9  o 128.809 2.5069  89.385       4.72291  91.507       5.20593  104.194     347.45      32.0132     347.45      
1 1 1 9  4  10 o 278.255 2.2147  409.861      9.484    433.699      9.48965  249.661     329.811     20.3854     149.811     
1 1 1 9  4  11 f 257.612 2.41901 352.153      9.58334  370.94       9.60449  167.937     316.827     0           0           
1 1 1 9  4  12 o 285.075 2.20194 441.151      9.66227  444.139      9.67     272.494     353.965     15.4477     353.965     
1 1 1 9  4  13 o 161.726 2.06029 147.526      4.96637  137.48       5.27518  59.7589     271.966     170.963     91.9656     
1 1 1 9  4  14 o 317.674 1.9116  551.461      9.35062  547.84       9.35175  325.659     3.87091     55.9417     3.87091     
1 1 1 9  4  15 o 146.577 2.06306 119.559      4.83038  114.533      4.4821   135.408     175.766     25.2303     175.766     
1 1 1 9  4  16 o 306.843 1.91472 509.831      9.04591  515.901      9.04816  193.067     358.438     194.813     178.438     
1 1 1 9  4  17 o 303.869 2.05171 495.734      9.59501  510.403      9.60456  322.856     281.091     73.4495     281.091     
1 1 1 9  4  18 o 272.303 2.06279 394.622      8.6364   413.478      8.65989  307.162     69.8383     103.518     69.8383     
1 1 1 9  4  19 o 137.296 2.14971 97.8109      4.5327   107.752      4.55001  11.7757     53.2204     230.87      233.22      
1 1 1 9  4  20 o 38.9178 3.16508 8.75411      1.76471  8.00054      1.94118  16.5297     185.77      68.3256     185.77      
1 1 1 9  4  21 o 145.709 2.14784 113.866      4.42376  117.59       5.19515  144.954     57.1793     24.9975     57.1793     
1 1 1 9  4  22 o 43.5897 3.15406 13.1875      2.05743  8.08922      2.01574  5.89418     353.051     66.7264     353.051     
1 1 1 9  4  23 o 177.578 2.1071  169.484      5.75873  174.333      5.7642   180.672     105.093     32.7992     105.093     
1 1 1 9  4  24 o 189.925 2.01006 197.473      5.69971  195.8        6.05082  152.237     4.00509     49.6918     184.005     
1 1 1 9  4  25 o 155.6   2.04883 137.022      4.76407  127.072      5.03495  200.462     18.8155     124.718     18.8155     
1 1 1 9  4  26 o 74.6912 2.3446  28.5445      2.60348  32.5042      2.77629  63.3299     107.655     28.9502     107.655     
1 1 1 9  4  27 o 79.6172 2.22834 34.5037      2.71071  34.7563      2.74247  65.1872     104.428     3.98927     284.428     
1 1 1 9  4  28 o 33.8367 3.61199 4.941        1.77404  8.05449      1.79697  1.87522     167.885     15.2182     347.885     
1 1 1 9  4  29 o 231.153 2.03085 295.813      6.96595  287.013      7.47372  231.384     21.7234     30.8264     21.7234     
1 1 1 9  4  30 f 106.83  2.13183 61.4781      3.49469  63.1479      3.51203  99.5668     62.7858     0           0           
1 1 1 9  4  31 o 132.127 2.06777 92.969       4.20301  97.5536      4.20949  146.421     39.3342     53.2838     39.3342     
1 1 1 9  4  32 o 69.9747 2.57236 25.2324      2.75357  28.4695      2.76369  51.1131     120.303     19.1092     300.303     
1 1 1 9  4  33 o 50.4252 3.21016 13.5577      2.33923  14.5439      2.59274  7.5904      107.408     72.3218     287.408     
1 1 1 9  4  34 o 90.1512 2.55516 43.7354      3.68132  45.3478      3.38571  84.8274     199.46      7.55419     199.46      
1 1 1 9  4  35 o 36.5259 4.60488 6.88484      2.56428  8.36848      2.40296  2.32701     27.9898     53.5152     207.99      
1 1 1 9  4  36 o 37.4331 4.47701 10.8982      2.33348  5.48329      2.47254  16.7271     174.653     21.815      354.653     
1 1 1 9  4  37 o 47.4415 3.13818 11.9266      2.26473  13.109       2.26251  44.4346     359.143     24.8527     359.143     
1 1 1 9  4  38 o 46.5997 3.4074  11.8767      2.43088  12.4342      2.38607  44.6379     336.841     14.283      336.841     
1 1 1 9  4  39 o 92.77   2.4452  51.4261      3.6346   43.61        3.33962  84.7692     254.862     0.830547    254.862     
1 1 1 9  4  40 o 74.6178 2.43173 32.989       2.88106  28.6246      2.6918   49.9799     160.991     35.7203     340.991     
1 1 1 9  4  41 o 24.8544 4.42035 3.02294      1.71989  4.29713      1.68889  13.7994     305.396     5.39837     305.396     
1 1 1 9  4  42 o 28.8543 4.43482 5.19484      1.90892  4.70689      1.92016  20.2822     325.037     5.5091      145.037     
1 1 1 9  4  43 f 25.4344 4.5327  5.62697      1.85576  2.14787      1.89938  24.4884     333.481     0           0           
1 1 1 9  4  44 o 17.742  4.575   2.02912      1.65284  1.08488      1.63251  2.24901     354.243     31.6834     354.243     
1 1 1 9  4  45 o 40.2095 3.607   10.4025      2.16061  8.38881      2.17665  40.7271     307.041     11.7647     307.041     
1 1 1 9  4  46 o 30.8491 4.46887 6.57261      2.05347  5.08298      2.04987  19.3902     122.015     14.2847     302.015     
1 1 1 9  4  47 o 32.3883 4.04135 7.14235      1.93796  5.55001      1.9313   32.972      156.883     13.0828     156.883     
1 1 1 9  4  48 o 13.9407 4.27045 -0.117616    1.66981  0.302621     1.71565  1.97739     244.572     5.00634     64.5717     
1 1 1 9  4  49 o 38.8135 3.84543 8.11175      2.08121  10.059       2.39287  39.284      314.753     13.0997     314.753     
1 1 1 9  4  50 o 14.6063 4.42092 0.00523049   1.77974  0.746374     1.7805   2.97508     289.778     11.5036     109.778     
1 1 1 9  4  51 o 21.5689 4.94976 4.19229      1.93264  1.86731      2.03448  9.15982     6.11365     16.4421     186.114     
1 1 1 9  4  52 o 17.3032 5.04427 2.23553      2.2189   0.464195     2.22443  9.44144     222.8       6.78423     42.7995     
1 1 1 9  4  53 o 37.936  4.99875 9.86026      2.81768  9.96255      2.80768  44.442      131.654     26.0911     131.654     
1 1 1 9  4  54 o 13.624  4.34709 -0.431555    1.94225  0.195345     1.93585  4.76933     97.1947     5.73377     277.195     
1 1 1 9  4  55 o 21.5377 5.73241 4.69066      2.96549  2.916        2.19614  20.1506     72.2499     11.5175     72.2499     
1 1 1 9  4  56 o 21.0006 5.21499 4.96353      2.23179  1.72426      2.28252  15.1088     18.1201     2.64382     198.12      
1 1 1 9  4  57 o 18.8847 5.08216 2.93049      2.03986  2.53262      2.05765  13.5224     223.939     0.382949    43.9391     
1 1 1 9  4  58 o 25.4273 5.29957 5.10473      2.25867  5.56418      2.1841   21.1559     197.402     1.9304      197.402     
1 1 1 9  4  59 o 13.3024 4.36336 -0.109793    2.11544  -0.350056    2.15775  1.73767     248.98      8.27642     68.9798     
1 1 1 9  4  60 o 17.0134 4.97827 1.82189      2.14012  2.6092       2.13572  8.38066     167.37      2.22583     347.37      
1 1 1 9  4  61 o 18.2448 5.10133 0.860354     2.29433  4.8654       2.34314  13.2673     318.104     5.24142     318.104     
1 1 1 9  5  0  o 64.4178 2.50277 22.8008      2.46541  22.8008      2.46541  0.183964    270         21.9541     90.0002     
1 1 1 9  5  1  o 103.482 2.13246 60.6309      3.39938  56.1478      3.38622  48.9771     342.173     62.9126     162.173     
1 1 1 9  5  2  o 182.23  2.13081 179.276      6.39234  182.431      5.52707  122.862     213.038     87.2583     33.0376     
1 1 1 9  5  3  f 678.735 2.04127 2473.85      22.0089  2544.04      20.6155  590.826     198.31      0           0           
1 1 1 9  5  4  o 124.249 2.07009 80.7939      3.95827  87.4176      3.9585   99.5581     46.2916     12.2429     46.2916     
1 1 1 9  5  5  f 152.851 2.17036 119.231      5.09795  135.511      5.10362  209.169     192.758     0           0           
1 1 1 9  5  6  f 428.87  2.20558 981.527      14.5538  1022.13      14.5739  310.095     10.0899     0           0           
1 1 1 9  5  7  o 103.251 2.55918 54.9735      4.20152  61.3967      3.89082  53.6398     263.026     25.8809     83.0261     
1 1 1 9  5  8  o 249.784 2.42555 333.108      9.33782  346.636      9.31825  145.035     237.002     177.205     57.002      
1 1 1 9  5  9  o 427.722 2.21138 991.76       14.5627  1001.08      14.5673  403.301     85.3434     5.80254     265.343     
1 1 1 9  5  10 o 117.245 2.32532 80.3419      4.01869  69.7155      4.32579  43.4489     36.906      101.729     216.906     
1 1 1 9  5  11 o 106.934 2.53695 63.0505      3.98135  61.6794      4.3491   19.2804     101.04      217.052     101.04      
1 1 1 9  5  12 o 253.753 2.46676 347.41       8.60057  354.175      10.5924  149.875     9.32154     173.833     189.322     
1 1 1 9  5  13 o 292.594 1.98725 471.459      8.63812  461.185      9.25138  355.675     57.9972     172.117     57.9972     
1 1 1 9  5  14 o 160.963 1.97214 144.859      4.89621  137.445      4.87825  145.187     4.21576     9.8091      4.21576     
1 1 1 9  5  15 f 106.73  2.10848 62.8578      3.46435  61.3566      3.4592   114.344     44.2097     0           0           
1 1 1 9  5  16 o 309.436 1.91065 538.676      9.11494  504.788      9.08717  208.821     78.3575     168.162     258.358     
1 1 1 9  5  17 o 96.7854 2.10202 50.9651      3.12101  51.2079      3.13722  31.9638     100.157     103.984     280.157     
1 1 1 9  5  18 f 360.024 1.98463 717.317      11.4005  695.211      10.6009  246.452     40.9036     0           0           
1 1 1 9  5  19 o 206.77  2.07904 230.991      6.62341  234.988      6.6156   196.049     50.0172     6.93087     50.0173     
1 1 1 9  5  20 o 236.997 2.06063 304.317      7.51296  307.901      7.52743  227.522     331.56      10.375      331.56      
1 1 1 9  5  21 o 118.904 2.04225 76.9343      3.73356  77.1777      3.74509  103.429     177.589     6.55217     357.589     
1 1 1 9  5  22 o 36.3187 3.11369 6.15186      1.68289  8.56187      1.6844   7.0585      142.278     39.895      142.278     
1 1 1 9  5  23 o 194.362 2.09065 205.202      6.25291  206.687      6.26153  154.548     204.906     53.4829     24.9064     
1 1 1 9  5  24 o 50.8106 3.03195 15.0929      2.20936  13.3303      2.45836  5.93481     12.5906     58.1597     192.591     
1 1 1 9  5  25 o 80.0989 2.21858 34.0412      2.73273  36.0612      2.72774  25.7123     66.5408     88.2668     246.541     
1 1 1 9  5  26 o 63.1977 2.41528 20.6545      2.33754  23.0887      2.34038  44.5605     166.251     11.411      166.251     
1 1 1 9  5  27 o 137.629 2.01368 106.344      4.28092  100.279      4.25246  120.714     359.056     11.2594     179.056     
1 1 1 9  5  28 o 167.301 1.99449 161.159      5.14931  144.34       5.11727  165.2       109.318     20.7434     109.318     
1 1 1 9  5  29 o 121.08  2.14112 76.9458      3.86608  83.1093      4.11636  117.659     196.817     15.74       196.817     
1 1 1 9  5  30 o 283.307 2.08826 441.242      8.46908  434.522      9.69966  286.051     67.6859     42.9845     67.6858     
1 1 1 9  5  31 o 123.94  2.16963 89.0198      3.99992  78.8651      4.24705  134.604     34.7107     45.1074     34.7107     
1 1 1 9  5  32 o 89.4225 2.37512 42.3181      3.2643   45.1895      3.2624   88.7386     73.9886     18.903      73.9886     
1 1 1 9  5  33 o 128.087 2.23974 95.9575      4.43607  83.5818      4.38272  120.624     337.546     6.05879     337.546     
1 1 1 9  5  34 o 64.348  2.79026 24.342       2.74791  21.2525      2.74511  59.9062     53.5864     10.123      53.5864     
1 1 1 9  5  35 o 64.0074 2.88835 25.9813      2.81745  19.4104      2.8003   42.3729     227.786     27.0063     47.7859     
1 1 1 9  5  36 o 28.0468 4.73386 4.07955      2.02977  5.05551      2.01213  4.54155     151.476     23.3863     331.476     
1 1 1 9  5  37 o 84.319  2.53229 38.0353      3.14664  40.2135      3.41433  71.5001     349.874     8.77369     169.874     
1 1 1 9  5  38 o 80.502  2.48729 34.5205      3.2669   36.9128      2.85267  77.9176     90.4678     11.2357     90.4678     
1 1 1 9  5  39 o 29.0072 4.3376  5.28444      1.90246  4.55661      1.85278  20.9518     160.823     2.81698     160.823     
1 1 1 9  5  40 o 70.1527 2.49626 24.615       2.71396  30.0079      2.63136  66.0885     29.9216     5.79989     29.9216     
1 1 1 9  5  41 o 42.2815 3.11397 9.40669      1.97641  10.7717      2.01316  35.1388     46.7542     3.03598     226.754     
1 1 1 9  5  42 o 106.649 2.15126 60.2556      3.52133  65.4533      3.53316  122.47      22.9434     51.6188     22.9434     
1 1 1 9  5  43 o 32.5291 4.13621 6.09399      1.97953  6.38323      2.01188  26.6392     274.87      0.408492    94.8704     
1 1 1 9  5  44 f 15.6947 4.52419 0.227639     1.74098  1.12487      1.73929  9.00896     166.974     0           0           
1 1 1 9  5  45 o 41.2703 3.49779 9.08873      2.12629  10.6423      2.22583  41.9584     134.414     11.9314     134.414     
1 1 1 9  5  46 o 13.6762 4.21768 -1.92003     1.74361  0.934084     1.80712  2.52434     241.007     9.9651      61.0068     
1 1 1 9  5  47 o 76.2097 2.60311 31.1071      3.04216  34.6001      3.04231  85.5812     316.324     35.4642     316.324     
1 1 1 9  5  48 o 59.952  2.94084 22.2597      2.67511  19.015       2.7034   63.1081     330.181     20.6894     330.181     
1 1 1 9  5  49 o 69.1957 3.00417 26.3959      3.42096  28.9146      2.88557  72.2329     82.8094     22.1521     82.8094     
1 1 1 9  5  50 o 44.8136 3.42548 11.5955      2.32172  12.3988      2.32834  43.3597     250.535     9.19978     250.535     
1 1 1 9  5  51 o 39.353  3.88075 9.29622      2.36001  9.96589      2.19835  44.291      338.56      21.9377     338.56      
1 1 1 9  5  52 o 15.9178 4.94471 1.46758      2.47372  -0.556586    2.25176  7.78909     202.478     6.75281     22.478      
1 1 1 9  5  53 o 43.4567 3.97281 10.5458      2.71176  13.5362      2.32049  42.7962     272.916     10.9239     272.916     
1 1 1 9  5  54 o 17.1175 5.02551 1.38424      2.19575  1.79378      2.16738  10.9869     187.841     0.158464    7.84143     
1 1 1 9  5  55 o 16.1596 4.76332 1.36498      1.95446  1.42395      1.98157  11.2405     213.509     0.658215    213.509     
1 1 1 9  5  56 o 16.3464 4.9336  1.70954      2.20137  1.17971      2.19336  10.3869     274.788     2.1226      274.788     
1 1 1 9  5  57 o 23.772  5.64589 4.88466      2.51064  4.95133      2.37437  22.2082     85.8846     9.12555     85.8846     
1 1 1 9  5  58 o 14.8194 4.58888 1.26656      1.98854  0.590578     2.02201  5.34704     337.385     0.303332    157.385     
1 1 1 9  5  59 o 21.1713 5.04789 1.70603      2.15913  5.535        2.1658   13.1367     240.449     3.66453     240.449     
1 1 1 9  5  60 o 24.9365 5.52976 4.81819      2.41048  6.77513      2.41276  21.4576     58.2719     6.16879     58.2719     
1 1 1 9  5  61 o 14.7392 4.69491 1.06758      2.13213  1.21805      2.35736  5.34204     331.207     1.97923     331.207     
1 1 1 9  6  0  f 91.4419 2.39444 45.7199      3.36112  45.7199      3.36112  101.473     90          0           0           
1 1 1 9  6  1  o 199.299 2.09807 224.409      6.44435  208.376      6.42751  136.086     138.661     92.8203     318.661     
1 1 1 9  6  2  o 591.347 2.07997 1875.36      18.9294  1933.75      18.9484  724.546     63.8288     320.9       63.8288     
1 1 1 9  6  3  o 268.081 2.14248 391.349      8.48911  391.459      9.18623  181.507     189.357     139.628     9.35705     
1 1 1 9  6  4  o 114.455 2.33882 76.5824      4.2794   66.4186      3.95718  62.4315     106.95      51.7498     286.95      
1 1 1 9  6  5  o 319.27  2.20702 538.623      10.8356  571.964      10.859   289.464     252.177     21.0039     72.1766     
1 1 1 9  6  6  o 160.126 2.8185  141.501      6.96611  137.965      6.92743  115.968     249.857     46.4464     69.8565     
1 1 1 9  6  7  o 121.13  2.76956 80.2694      5.4532   79.7624      4.84901  75.5435     264.71      21.0829     264.71      
1 1 1 9  6  8  o 249.695 2.21111 340.242      8.50951  338.93       8.49403  148.828     137.321     166.753     317.321     
1 1 1 9  6  9  f 333.122 2.04053 618.745      10.4792  590.21       10.4517  136.997     118.902     0           0           
1 1 1 9  6  10 o 275.727 2.12077 413.194      9.32731  414.991      8.66825  297.864     83.4703     89.1382     83.4703     
1 1 1 9  6  11 o 379.203 2.1945  802.093      12.8293  764.686      12.7947  410.544     32.7397     107.737     32.7397     
1 1 1 9  6  12 o 185.734 2.1746  179.985      5.97272  196.025      6.46919  126.065     66.5387     85.0359     246.539     
1 1 1 9  6  13 o 130.92  2.02678 89.9545      4.07744  96.8412      4.09093  122.493     168.67      50.6321     168.67      
1 1 1 9  6  14 o 201.05  1.94558 220.82       6.02208  219.553      6.02471  208.945     322.995     52.9127     322.995     
1 1 1 9  6  15 o 178.273 2.03089 179.795      5.37303  166.613      5.75057  176.652     96.7719     30.2629     96.7719     
1 1 1 9  6  16 o 63.5819 2.60192 22.3758      2.30913  21.8445      2.73916  6.84416     285.924     76.0254     105.924     
1 1 1 9  6  17 o 93.8978 2.19698 47.0234      3.03926  49.1876      3.3045   47.6496     295.692     64.8134     115.692     
1 1 1 9  6  18 o 127.372 2.00616 87.2056      3.93069  89.6122      3.93859  130.816     301.574     39.7575     301.574     
1 1 1 9  6  19 o 153.296 1.96964 118.187      4.61549  138.327      4.66581  66.237      198.279     152.07      18.2793     
1 1 1 9  6  20 f 274.371 2.06482 418.674      8.73383  402.01       8.71167  251.352     257.917     0           0           
1 1 1 9  6  21 o 226.771 2.06946 272.328      7.21195  288.407      7.2375   241.052     210.718     58.8287     210.718     
1 1 1 9  6  22 o 166.484 2.11844 151.39       5.4332   150.817      5.42873  170.821     219.409     36.225      219.409     
1 1 1 9  6  23 o 39.9488 2.9206  8.4818       1.76132  9.1342       1.77869  7.10628     273.214     54.9159     273.214     
1 1 1 9  6  24 o 134.606 2.16659 95.7492      4.474    101.909      4.5054   120.373     279.117     2.76925     99.1172     
1 1 1 9  6  25 o 116.939 2.2184  74.6157      3.98919  74.6594      3.99312  85.5372     286.731     40.3381     106.731     
1 1 1 9  6  26 o 143.332 2.07737 111.252      4.74525  112.819      4.4165   117.474     296.377     28.6011     116.377     
1 1 1 9  6  27 o 82.9907 2.22922 37.9444      2.84939  37.3109      2.83793  93.7982     357.167     57.1179     357.167     
1 1 1 9  6  28 o 253.771 1.94723 358.049      7.62005  344.352      7.59697  224.734     262.11      24.6362     82.1095     
1 1 1 9  6  29 o 224.549 1.95373 279.652      6.75916  270.371      6.75076  221.202     139.285     24.8944     139.285     
1 1 1 9  6  30 o 46.5342 3.03161 10.327       2.13452  13.6783      2.12177  24.7426     161.881     7.9695      341.881     
1 1 1 9  6  31 o 49.3363 3.03811 14.0736      2.28183  12.7803      2.28369  35.6612     35.5016     5.63241     35.5016     
1 1 1 9  6  32 o 33.6597 4.38362 6.66067      2.20689  6.21647      2.16979  3.40832     314.11      42.5353     134.11      
1 1 1 9  6  33 o 87.1016 2.64915 40.6668      3.31259  42.5469      3.77105  69.9708     82.231      16.7494     262.231     
1 1 1 9  6  34 o 43.1786 3.45186 9.68445      2.191    11.1121      2.31709  17.2374     251.297     35.6961     71.2967     
1 1 1 9  6  35 o 59.1473 3.04591 20.0843      2.77045  18.6006      2.73783  59.3296     334.595     23.0693     334.595     
1 1 1 9  6  36 o 131.643 2.36298 90.5077      4.7703   99.6905      4.79823  114.063     216.42      12.6946     36.4201     
1 1 1 9  6  37 o 98.7963 2.35692 49.2221      3.76504  58.2497      3.32378  86.0992     239.966     7.0335      59.9661     
1 1 1 9  6  38 o 27.1065 4.35082 3.40739      1.83921  5.19831      1.73539  2.99342     268.234     0.875074    268.234     
1 1 1 9  6  39 f 24.9162 4.51151 2.38236      1.75328  4.96122      1.83213  27.3339     277.026     0           0           
1 1 1 9  6  40 o 97.5795 2.26406 49.9009      3.28275  55.2584      3.51329  100.924     137.266     24.7634     137.266     
1 1 1 9  6  41 o 16.2331 4.27888 2.15623      1.56418  -0.353562    1.56774  2.48207     305.659     26.4874     305.659     
1 1 1 9  6  42 o 49.4651 3.00923 12.3602      2.32137  15.2975      2.17311  40.7126     147.076     5.77388     327.076     
1 1 1 9  6  43 o 44.9916 3.15999 9.84258      2.17605  13.2635      2.07878  35.291      278.922     8.26562     98.9219     
1 1 1 9  6  44 o 33.0679 4.29945 6.96821      2.14771  6.10433      2.06917  13.1538     169.25      31.2302     349.25      
1 1 1 9  6  45 o 16.2917 4.69153 0.480303     1.76703  1.23949      1.94532  4.26102     226.001     0.713211    226.001     
1 1 1 9  6  46 o 23.6045 4.68742 1.87909      1.77043  5.08727      1.97819  11.4636     142.946     15.4297     322.946     
1 1 1 9  6  47 o 59.5546 2.95506 20.4714      2.69687  20.1802      2.6887   54.2335     119.946     3.16249     119.946     
1 1 1 9  6  48 o 46.8508 3.29873 13.2476      2.42922  12.3702      2.26796  40.5196     136.752     0.493342    316.752     
1 1 1 9  6  49 o 25.0592 4.95853 4.13716      1.96644  4.1209       2.01055  19.9949     226.14      1.93545     226.14      
1 1 1 9  6  50 o 12.9384 4.19814 -0.107116    2.0416   -1.40931     1.75375  2.20587     137.904     6.52786     317.904     
1 1 1 9  6  51 o 35.1913 4.86167 8.72756      2.54122  7.90929      2.53777  27.443      93.4925     5.35328     273.492     
1 1 1 9  6  52 o 14.9657 4.69218 -0.083126    2.27655  0.506273     2.04366  2.15618     193.668     0.445965    193.668     
1 1 1 9  6  53 o 24.3884 5.15782 2.84324      2.22849  5.83049      2.18333  14.9444     22.5769     9.43948     202.577     
1 1 1 9  6  54 o 19.0967 5.02201 0.888303     2.03102  3.98049      2.17096  15.4589     272.634     4.80159     272.634     
1 1 1 9  6  55 o 13.956  4.43403 0.322477     2.06084  0.0870367    1.91166  6.11195     332.565     1.13916     332.565     
1 1 1 9  6  56 o 16.8411 5.01241 2.03219      2.40493  1.49731      2.01242  3.50013     45.9935     1.78567     45.9935     
1 1 1 9  6  57 o 14.5228 4.59878 0.39635      1.99339  0.852933     2.23689  5.65534     76.912      8.65856     256.912     
1 1 1 9  6  58 o 38.0259 4.24022 8.91529      2.37253  11.4746      2.39004  43.0599     156.018     24.6415     156.018     
1 1 1 9  6  59 o 17.9865 5.07047 2.4979       2.10477  2.63682      2.12075  7.50544     329.666     0.561826    329.666     
1 1 1 9  6  60 o 17.9978 5.15949 1.5505       2.32598  4.14929      2.32253  11.2763     238.067     2.70971     238.067     
1 1 1 9  6  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  7  0  o 9.86555 4.6524  -0.640073    1.92245  -0.640073    1.92245  10.701      270         21.6132     270         
1 1 1 9  7  1  o 382.643 2.20265 784.772      12.9666  810.23       12.9884  457.378     260.511     198.152     260.511     
1 1 1 9  7  2  o 389.374 2.31781 841.606      13.2383  810.13       14.5     356.682     289.284     21.7804     109.284     
1 1 1 9  7  3  o 49.0269 3.55235 9.65327      2.5294   17.4042      2.56535  16.7218     336.455     47.8733     336.455     
1 1 1 9  7  4  o 342.593 2.20357 644.197      11.6316  634.358      11.6181  301.441     136.295     40.4995     316.295     
1 1 1 9  7  5  o 210.674 2.24489 249.179      7.29501  234.426      7.26624  121.288     49.693      142.736     229.693     
1 1 1 9  7  6  o 23.6774 5.02247 2.96824      1.99133  3.20039      1.96343  59.5199     201.749     125.803     201.749     
1 1 1 9  7  7  o 145.403 2.31117 109.807      5.16754  120.648      5.17377  59.3701     257.674     133.879     77.6738     
1 1 1 9  7  8  o 68.4245 2.71471 23.1718      2.84234  28.1279      2.83341  10.4674     260.341     79.424      260.341     
1 1 1 9  7  9  o 62.3391 2.6999  17.205       2.52521  25.7346      2.55727  10.7617     7.5436      62.3534     7.5436      
1 1 1 9  7  10 o 183.547 2.36159 187.759      6.99131  179.366      6.3551   162.345     295.019     2.0216      115.019     
1 1 1 9  7  11 o 341.891 2.39346 651.17       14.3443  622.701      10.6644  348.811     34.8465     55.6989     34.8465     
1 1 1 9  7  12 o 129.137 2.25922 93.1972      4.68085  88.6035      4.29994  118.487     250.742     29.8984     250.742     
1 1 1 9  7  13 o 230.987 1.92446 292.239      6.84634  289.057      6.84393  213.988     33.0868     0.275757    213.084     
1 1 1 9  7  14 o 176.885 1.9497  179.751      5.31704  161.399      5.29397  159.32      314.949     4.52022     134.95      
1 1 1 9  7  15 o 53.7608 2.65517 15.891       2.07269  15.7736      2.28918  4.41978     36.9398     73.8869     36.9398     
1 1 1 9  7  16 o 163.406 1.95082 149.164      4.91055  141.85       4.90486  138.224     248.868     22.4891     68.8681     
1 1 1 9  7  17 o 311.757 1.90499 536.383      9.14719  522.816      9.14237  332.112     130.074     77.7251     130.074     
1 1 1 9  7  18 o 153.499 1.96657 125.651      4.63867  131.177      4.65689  123.781     103.477     34.1271     283.477     
1 1 1 9  7  19 f 97.6289 2.17194 50.7452      3.13844  53.2847      3.38383  94.6859     97.6453     0           0           
1 1 1 9  7  20 o 78.7546 2.43769 36.4467      2.69329  31.4224      3.14067  52.9836     217.664     23.4047     37.6642     
1 1 1 9  7  21 o 237.695 2.06898 308.406      7.58085  307.588      7.56513  200.581     140.977     43.532      320.977     
1 1 1 9  7  22 o 106.994 2.24849 62.8966      3.69994  62.0693      3.7009   60.7867     192.728     69.837      12.7281     
1 1 1 9  7  23 o 247.496 2.07263 336.804      7.90331  331.171      7.89462  236.02      164.277     10.3195     164.277     
1 1 1 9  7  24 o 98.3194 2.21594 52.0261      3.21055  53.5311      3.48842  22.0367     218.417     133.592     38.4171     
1 1 1 9  7  25 o 56.901  2.63364 16.8621      2.1998   18.6586      2.39138  27.904      263.342     9.19187     263.342     
1 1 1 9  7  26 o 90.3674 2.34381 42.3999      3.24652  46.8916      3.25984  89.0809     339.022     21.3954     339.022     
1 1 1 9  7  27 o 132.955 2.27137 101.022      4.48079  92.0367      4.78811  135.657     245.48      29.5853     245.48      
1 1 1 9  7  28 o 92.8066 2.22773 46.0378      3.18397  48.0722      3.17279  46.7754     346.935     73.414      166.935     
1 1 1 9  7  29 o 131.701 2.0708  90.5513      4.19398  98.8014      4.19961  119.838     341.268     0.0530737   341.268     
1 1 1 9  7  30 o 96.5014 2.23707 55.9835      3.32523  46.0403      3.29323  82.4678     175.283     7.53481     355.283     
1 1 1 9  7  31 o 214.591 2.28251 253.147      7.55209  249.905      7.53278  204.803     335.718     12.0637     335.718     
1 1 1 9  7  32 o 24.8508 4.88519 3.11194      1.95645  3.92209      1.93332  8.26738     314.93      47.195      314.93      
1 1 1 9  7  33 o 53.16   2.945   13.5551      2.4427   17.772       2.27475  23.3943     73.9151     44.4646     253.915     
1 1 1 9  7  34 o 74.4359 2.98479 29.6666      3.58468  31.41        3.20441  69.1186     66.3902     8.65454     66.3902     
1 1 1 9  7  35 o 54.3217 2.94719 18.9087      2.446    13.9273      2.4053   42.6639     266.183     5.9679      86.1829     
1 1 1 9  7  36 o 66.4009 2.57372 26.6308      2.61772  22.0703      2.60785  64.7498     128.709     13.9345     128.709     
1 1 1 9  7  37 o 63.6373 2.68002 19.2635      2.52461  25.7467      2.68141  48.5926     280.03      15.7407     100.03      
1 1 1 9  7  38 o 31.4639 4.09129 5.55947      1.80149  5.89864      2.01633  20.5607     127.548     8.82311     307.548     
1 1 1 9  7  39 o 46.607  3.24988 11.6225      2.19266  12.8429      2.41297  39.278      26.8109     2.85851     206.811     
1 1 1 9  7  40 o 18.4057 4.71132 1.64672      1.73004  1.732        1.70448  2.08937     128.069     20.4068     308.069     
1 1 1 9  7  41 o 35.7326 3.72084 7.36317      1.87615  7.37674      2.08885  32.6797     102.278     6.31165     102.278     
1 1 1 9  7  42 o 23.3003 4.72088 3.49479      1.7028   3.00424      1.8757   8.05441     91.5359     20.5474     271.536     
1 1 1 9  7  43 o 33.1394 3.89588 7.6464       1.88082  5.32401      1.9114   36.2514     325.49      24.6208     325.49      
1 1 1 9  7  44 o 16.0303 4.29958 2.22944      1.62696  -0.651439    1.61227  6.54824     217.934     7.8141      37.9344     
1 1 1 9  7  45 o 15.8794 4.63749 0.922772     1.75427  0.475877     1.94358  5.94648     153.712     1.75829     333.712     
1 1 1 9  7  46 o 82.4103 2.56412 34.6452      3.21082  42.1692      3.26044  82.3616     129.431     17.717      129.431     
1 1 1 9  7  47 o 15.2453 4.52797 -0.456417    1.89368  1.23369      1.81325  3.68019     48.4955     4.91623     228.495     
1 1 1 9  7  48 o 37.1772 4.54797 7.56594      2.59083  9.74818      2.37253  35.2974     71.4281     8.38045     71.4281     
1 1 1 9  7  49 o 13.5465 4.28584 -1.25755     1.98313  0.340472     1.77901  2.39137     58.2573     6.15805     238.257     
1 1 1 9  7  50 o 57.9893 3.09401 20.0599      2.74641  19.666       2.73839  56.6973     274.002     11.7818     274.002     
1 1 1 9  7  51 o 13.1865 4.26627 -0.322794    1.95456  -0.818645    1.93904  2.77503     297.218     0.158378    117.218     
1 1 1 9  7  52 o 39.4915 4.08973 9.00513      2.37978  11.068       2.42501  39.6372     163.655     12.1679     163.655     
1 1 1 9  7  53 o 16.3035 4.7853  1.59707      1.91785  0.982298     2.0556   8.1352      99.8337     5.98954     279.834     
1 1 1 9  7  54 o 24.1153 4.99066 2.53456      2.09953  6.19285      2.14797  24.0354     64.2782     10.4243     64.2782     
1 1 1 9  7  55 o 21.5199 5.29673 3.81656      2.1571   3.54663      2.14753  12.355      99.3459     9.76726     279.346     
1 1 1 9  7  56 o 17.2067 4.80822 3.98095      2.22771  -0.745816    2.00997  11.3946     277.786     0.673647    97.786      
1 1 1 9  7  57 f 20.3869 5.33246 1.84727      2.32704  4.99921      2.37919  15.2757     230.925     0           0           
1 1 1 9  7  58 o 36.4276 4.58806 8.16823      2.47576  11.2714      2.43361  38.2546     72.9348     18.3934     72.9348     
1 1 1 9  7  59 o 17.3421 4.99166 0.809557     2.29882  3.47247      2.15189  8.36262     294.761     4.54678     114.761     
1 1 1 9  7  60 o 12.423  4.12882 -0.33084     2.02864  -0.265175    2.00629  3.69654     107.11      2.33298     287.11      
1 1 1 9  7  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  8  0  o 217.239 2.45583 257.206      8.21062  257.206      8.21062  228.483     270         41.4753     270         
1 1 1 9  8  1  o 298.886 2.2009  481.62       10.1265  491.584      10.1322  298.808     185.892     44.6509     185.892     
1 1 1 9  8  2  o 451.288 2.2107  1099.93      15.355   1118.78      15.37    450.878     130.06      50.0201     130.06      
1 1 1 9  8  3  o 544.444 2.15176 1600.35      17.318   1628.84      18.7453  576.357     132.152     121.26      132.152     
1 1 1 9  8  4  o 285.33  2.04101 447.863      8.9665   439.024      8.96822  259.8       327.933     9.25358     147.933     
1 1 1 9  8  5  o 120.802 2.21522 77.5089      4.12197  81.6088      4.11027  81.0006     123.772     18.3993     303.772     
1 1 1 9  8  6  o 150.68  2.28616 118.204      5.2979   129.289      5.30355  79.2325     245.556     106.252     65.556      
1 1 1 9  8  7  o 469.259 2.20771 1211.19      15.9654  1187.99      15.9398  522.633     353.971     159.388     353.971     
1 1 1 9  8  8  o 204.767 2.22117 228.134      7.00671  228.709      7.00081  218.204     46.8893     71.057      46.8893     
1 1 1 9  8  9  o 270.403 2.06461 398.042      7.98368  398.57       9.1698   322.732     165.46      149.049     165.46      
1 1 1 9  8  10 o 24.1278 4.44263 2.11708      1.72916  4.44164      1.71466  25.0912     42.8861     55.3702     42.8861     
1 1 1 9  8  11 o 260.239 2.13914 369.482      8.92087  368.462      8.2101   210.283     86.6766     65.7167     266.677     
1 1 1 9  8  12 o 229.094 1.97148 281.524      6.72051  290.363      7.18758  216.273     166.435     7.40206     166.435     
1 1 1 9  8  13 o 173.609 1.95136 168.774      5.21815  159.699      5.21253  104.413     92.0166     111.547     272.017     
1 1 1 9  8  14 o 238.39  2.06389 312.577      8.13008  306.758      6.98997  226.866     17.3995     9.53883     17.3996     
1 1 1 9  8  15 o 221.373 2.07769 267.723      7.59203  266.383      6.53637  210.17      33.3809     8.82275     33.3809     
1 1 1 9  8  16 o 179.153 2.01918 172.136      5.74953  177.698      5.37814  153.986     6.50638     22.6109     186.506     
1 1 1 9  8  17 o 214.005 1.91849 254.049      6.32422  245.131      6.31887  260.217     2.91776     125.739     2.91776     
1 1 1 9  8  18 o 253.612 1.91135 346.598      7.45904  354.458      7.46935  249.57      75.6829     24.7289     75.6829     
1 1 1 9  8  19 o 119.519 2.03461 71.6371      3.72818  84.399       3.73949  94.5773     239.447     25.0384     59.4472     
1 1 1 9  8  20 o 100.228 2.09739 55.4811      3.22907  54.1497      3.23755  80.5782     43.6877     12.5358     223.688     
1 1 1 9  8  21 f 243.935 1.92477 322.223      7.21873  326.491      7.2413   237.269     277.766     0           0           
1 1 1 9  8  22 o 138.977 2.02225 101.351      4.31745  109.335      4.33413  86.8559     112.43      80.2237     292.43      
1 1 1 9  8  23 o 112.454 2.346   68.0511      3.88561  70.0481      4.2275   137.478     48.2435     91.2016     48.2435     
1 1 1 9  8  24 o 132.437 2.41241 93.1278      4.45881  98.3896      5.35592  119.36      3.35133     1.76056     183.351     
1 1 1 9  8  25 o 260.166 2.10538 372.849      7.77058  365.493      9.03758  259.274     353.071     33.6503     353.071     
1 1 1 9  8  26 o 99.5544 2.76993 62.0276      4.19869  46.924       4.21204  93.4044     10.2734     10.6465     10.2734     
1 1 1 9  8  27 o 115.82  2.28755 74.7842      4.08963  71.744       4.06127  110.008     323.644     11.8682     323.644     
1 1 1 9  8  28 o 59.8842 2.84569 18.3962      2.60148  21.024       2.60727  15.217      65.0073     71.3151     245.007     
1 1 1 9  8  29 o 50.2325 2.92079 14.4358      2.27752  13.3581      2.20089  33.5055     143.579     4.2261      323.579     
1 1 1 9  8  30 o 48.1466 3.83445 11.7982      2.74904  14.0294      2.8251   32.6934     178.259     7.37095     358.259     
1 1 1 9  8  31 o 100.192 2.53027 57.4111      3.90965  52.5759      3.88084  86.3998     28.5043     8.37169     208.504     
1 1 1 9  8  32 o 18.5337 4.67718 1.77329      1.68662  1.4999       1.68747  8.73497     324.755     28.4702     324.755     
1 1 1 9  8  33 o 149.956 2.84364 130.158      6.57317  116.963      6.53536  149.974     62.4056     26.1351     62.4056     
1 1 1 9  8  34 o 61.5535 3.02135 20.4848      2.83514  21.3998      2.85625  23.2423     112.549     61.9412     292.549     
1 1 1 9  8  35 o 96.2224 2.20755 48.8517      3.25409  52.7584      3.2763   92.0563     34.713      11.1929     34.7129     
1 1 1 9  8  36 o 57.6656 2.72679 18.7731      2.41864  18.0238      2.39586  58.8661     357.381     19.4969     357.381     
1 1 1 9  8  37 o 80.7871 2.39967 35.0896      2.97088  36.8841      2.98524  91.7374     196.843     39.4467     196.843     
1 1 1 9  8  38 o 44.7242 3.3581  10.9589      2.14972  11.5996      2.40316  45.1547     316.864     14.105      316.864     
1 1 1 9  8  39 o 25.2711 4.73449 4.76511      1.82638  2.77181      2.01841  16.886      224.172     0.569318    44.172      
1 1 1 9  8  40 o 25.7121 4.34167 1.68645      1.83837  6.22873      1.83246  14.7523     259.462     10.1495     79.4621     
1 1 1 9  8  41 o 70.4644 2.48995 29.7073      2.633    25.627       2.73252  67.7237     199.166     9.63527     199.166     
1 1 1 9  8  42 o 39.2703 3.40758 8.53003      1.96248  9.16382      2.073    16.1438     25.1151     36.4442     205.115     
1 1 1 9  8  43 o 47.3382 3.12587 12.2046      2.16959  13.3126      2.33591  45.2868     203.495     7.58723     203.495     
1 1 1 9  8  44 o 19.8626 4.72455 1.15959      1.68621  3.3126       1.86752  13.5079     115.648     5.13235     115.648     
1 1 1 9  8  45 o 51.4483 3.167   16.7688      2.70332  13.7626      2.27038  44.1375     352.37      2.25162     172.37      
1 1 1 9  8  46 o 43.4538 3.57064 12.3608      2.32926  9.92967      2.32956  44.6971     271.898     15.1255     271.898     
1 1 1 9  8  47 o 72.7492 2.86155 29.5601      3.32027  30.9682      3.04979  81.7919     151.787     35.5498     151.787     
1 1 1 9  8  48 o 47.1736 3.53762 14.2512      2.38653  12.2555      2.6241   46.3331     347.216     11.3475     347.216     
1 1 1 9  8  49 o 20.1065 5.4274  1.24818      2.58227  3.35464      2.29323  6.9313      86.2041     17.3121     266.204     
1 1 1 9  8  50 o 17.0365 4.88483 2.03587      2.0415   0.723646     2.00739  10.213      213.238     1.43253     33.2382     
1 1 1 9  8  51 o 16.8537 4.86154 0.382507     2.07961  2.18658      2.02353  8.07423     136.85      8.36947     316.85      
1 1 1 9  8  52 o 13.8549 4.3999  -1.41819     2.05465  0.821611     1.98185  3.70977     109.349     2.20769     289.349     
1 1 1 9  8  53 f 30.9162 4.7174  5.5387       2.18235  7.93622      2.195    31.1386     221.324     0           0           
1 1 1 9  8  54 o 17.9526 4.90978 1.16383      1.98411  3.08958      2.00445  14.1033     98.5428     3.816       98.5428     
1 1 1 9  8  55 o 42.1181 4.2071  13.7143      2.49901  10.521       2.69081  45.4473     54.5396     19.7673     54.5396     
1 1 1 9  8  56 o 13.1357 4.29316 -1.04559     2.10011  0.343013     2.02566  2.15062     170.171     0.0379772   350.171     
1 1 1 9  8  57 o 17.3367 5.24076 2.51356      2.60727  1.77828      2.35291  9.3819      40.5505     2.83446     220.551     
1 1 1 9  8  58 o 13.8884 4.49864 0.0988604    2.0249   0.346761     2.30855  1.89241     76.5304     4.27067     256.53      
1 1 1 9  8  59 o 17.4515 5.04506 2.70227      2.13316  2.4875       2.1716   9.86253     183.173     0.588024    183.173     
1 1 1 9  8  60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  9  0  o 453.965 1.91978 1122.36      13.4192  1122.36      13.4192  404.276     270         56.8567     90          
1 1 1 9  9  1  o 55.1793 2.69155 19.1637      2.27177  14.3523      2.24036  100.737     120.615     282.446     120.615     
1 1 1 9  9  2  o 50.8308 2.88827 12.4404      2.17582  16.0183      2.29198  30.679      46.8071     102.445     46.8072     
1 1 1 9  9  3  o 228.081 2.0796  282.45       6.78086  284.3        7.79499  202.472     25.5731     12.5584     205.573     
1 1 1 9  9  4  o 192.534 2.11236 203.857      5.80157  200.023      6.68397  151.847     261.984     44.8898     81.9838     
1 1 1 9  9  5  o 87.8148 2.27216 41.6567      2.9922   42.4831      3.14192  1.6885      172.512     144.656     172.512     
1 1 1 9  9  6  o 235.66  2.13281 312.762      7.46626  292.498      7.98092  229.372     292.359     25.8398     292.359     
1 1 1 9  9  7  o 155.799 2.19755 132.156      5.09898  132.335      5.44012  166.887     269.292     69.7193     269.292     
1 1 1 9  9  8  o 156.72  2.03661 139.372      5.08084  128.351      4.75096  94.5524     24.6212     94.3408     204.621     
1 1 1 9  9  9  o 181.924 1.94521 182.375      5.4536   178.232      5.44469  109.53      25.1117     115.907     205.112     
1 1 1 9  9  10 o 141.552 2.12796 113.423      4.64506  105.006      4.62728  128.979     249.646     8.17237     249.646     
1 1 1 9  9  11 o 472.78  2.13713 1236.78      16.2086  1199.28      14.8991  421.708     274.68      50.1412     94.6798     
1 1 1 9  9  12 o 146.827 1.97629 113.432      4.45689  121.562      4.47642  123.628     336.508     16.9348     156.508     
1 1 1 9  9  13 o 85.4498 2.1664  40.1377      2.85668  39.5512      2.83533  67.6673     218.364     14.2372     218.364     
1 1 1 9  9  14 o 287.174 1.96626 459.948      9.0015   438.959      8.38867  304.107     278.705     71.2735     278.705     
1 1 1 9  9  15 o 309.056 1.89955 526.62       9.04627  514.384      9.03329  331.298     127.386     83.5989     127.386     
1 1 1 9  9  16 o 217.886 1.98144 253.031      6.83476  264.499      6.44466  206.65      140.898     8.21081     140.898     
1 1 1 9  9  17 o 247.606 1.91259 342.737      7.2986   325.624      7.28311  230.835     187.522     0.205689    7.52253     
1 1 1 9  9  18 o 137.567 2.18223 103.885      4.9517   102.474      4.27337  172.037     241.152     107.127     241.152     
1 1 1 9  9  19 o 160.281 2.13546 141.215      5.65404  138.923      4.86358  151.899     316.569     11.7258     316.569     
1 1 1 9  9  20 o 85.3778 2.3579  41.8646      3.3165   37.8263      2.87209  64.52       323.025     11.8326     143.025     
1 1 1 9  9  21 o 121.657 2.04279 78.6472      3.82139  82.7737      3.83083  127.541     156.93      41.9954     156.93      
1 1 1 9  9  22 o 135.777 2.02007 97.5657      4.2123   103.518      4.23272  90.6139     69.6814     66.4876     249.681     
1 1 1 9  9  23 o 190.929 1.9636  195.153      5.76361  202.406      5.78159  123.307     34.5522     107.36      214.552     
1 1 1 9  9  24 o 106.089 2.21243 61.7287      3.75394  61.1707      3.46209  97.2459     140.542     5.14615     140.542     
1 1 1 9  9  25 o 121.04  2.37415 80.3324      4.2194   79.6896      4.61178  92.8514     151.484     34.0309     331.484     
1 1 1 9  9  26 o 55.625  2.91519 16.9341      2.47637  17.0676      2.48221  10.051      217.51      73.0273     37.5103     
1 1 1 9  9  27 o 47.2029 3.0428  10.8259      2.10538  13.8373      2.25889  18.5226     352.838     31.4101     172.838     
1 1 1 9  9  28 o 236.958 2.30396 299.822      7.63673  313.366      9.13939  217.751     346.186     2.57393     166.186     
1 1 1 9  9  29 f 29.545  5.00316 5.69522      2.22294  4.33769      2.28807  6.53345     200.141     0           0           
1 1 1 9  9  30 o 127.199 2.41389 82.7473      4.7251   94.4605      4.70551  101.37      264.383     29.646      84.3827     
1 1 1 9  9  31 o 135.076 2.08362 99.1205      4.33181  100.25       4.33607  108.374     128.556     29.9755     308.556     
1 1 1 9  9  32 o 47.6401 3.30016 12.3064      2.48305  12.8965      2.28517  31.1536     96.6393     17.8879     96.6393     
1 1 1 9  9  33 o 94.058  2.57648 50.6595      3.72919  46.5711      3.71563  99.6593     269.686     32.6745     269.686     
1 1 1 9  9  34 o 106.233 2.13358 61.2564      3.48994  62.4476      3.48317  116.966     140.624     43.5329     140.624     
1 1 1 9  9  35 o 87.6976 2.31912 43.9701      3.00645  40.612       3.22901  70.5187     350.389     16.5542     170.389     
1 1 1 9  9  36 f 143.768 2.25702 110.475      4.77692  116.721      5.21606  118.755     94.8729     0           0           
1 1 1 9  9  37 o 40.128  3.29428 9.08341      1.9807   9.07755      2.01476  35.7094     319.398     3.76153     319.397     
1 1 1 9  9  38 o 45.2719 2.97533 10.5579      2.03441  12.4608      2.05562  18.6465     193.726     42.6534     13.7263     
1 1 1 9  9  39 o 61.8783 2.62603 21.5864      2.55299  21.0388      2.4281   52.4005     79.2639     5.22242     259.264     
1 1 1 9  9  40 o 27.7214 4.4832  4.51981      1.86476  4.68488      1.87961  17.6103     121.888     8.70208     301.889     
1 1 1 9  9  41 o 16.0149 4.32981 -0.648824    1.56389  2.19331      1.69654  2.52528     358.918     11.4285     178.917     
1 1 1 9  9  42 o 43.7399 3.4515  11.5784      2.49729  10.4136      2.06819  55.0062     275.418     37.8882     275.418     
1 1 1 9  9  43 o 40.3898 3.43406 9.71981      2.19505  9.13941      1.99025  37.6173     90.5761     4.99725     90.5761     
1 1 1 9  9  44 o 69.7822 2.50594 28.4355      2.67008  26.3286      2.69353  63.8717     110.771     3.67978     110.771     
1 1 1 9  9  45 o 15.502  4.20938 -1.99035     1.6778   2.5028       1.71522  4.41607     241.902     7.10445     61.9023     
1 1 1 9  9  46 f 77.0287 2.50538 34.2662      2.88589  32.7689      3.03459  48.0448     71.9301     0           0           
1 1 1 9  9  47 o 25.3197 5.05415 6.05603      2.12986  2.08821      2.39884  14.0671     40.2234     12.3152     220.223     
1 1 1 9  9  48 o 14.8465 4.64083 -0.821361    1.86457  0.896697     2.313    0.243528    47.8089     19.9946     227.809     
1 1 1 9  9  49 o 17.237  4.80153 -0.169224    1.81034  2.94887      2.15258  4.51667     62.1338     17.0465     242.134     
1 1 1 9  9  50 o 15.7584 5.03367 -0.681306    2.77858  0.523514     2.47742  8.58877     224.205     2.99379     44.2051     
1 1 1 9  9  51 o 21.9561 5.25113 3.17249      2.11719  3.74909      2.11474  16.6514     277.626     0.445554    277.627     
1 1 1 9  9  52 o 27.8553 4.97699 5.48413      2.17414  5.64274      2.09819  29.1113     266.089     15.6726     266.089     
1 1 1 9  9  53 o 13.3755 4.34368 -0.401025    2.13613  -0.290196    1.94657  6.60783     268.108     3.65183     88.1081     
1 1 1 9  9  54 o 33.2089 5.05631 6.31479      2.79268  10.2669      2.28532  25.7418     53.1051     4.29417     233.105     
1 1 1 9  9  55 o 17.1442 5.01123 1.64725      2.2189   2.21426      2.10738  11.383      248.687     0.826838    248.687     
1 1 1 9  9  56 o 17.3739 5.01178 2.84069      2.18731  1.46136      2.09014  4.58037     30.125      17.6182     210.125     
1 1 1 9  9  57 o 18.6862 5.20489 3.8771       2.34553  1.70039      2.14792  8.58546     162.439     1.84652     162.439     
1 1 1 9  9  58 o 25.6404 5.46456 6.90011      2.28513  4.72416      2.63338  22.3239     74.2677     8.70984     74.2677     
1 1 1 9  9  59 o 16.5365 4.93784 1.79987      2.16533  2.66172      2.17162  9.87097     220.183     0.248249    220.183     
1 1 1 9  9  60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  10 0  o 123.845 2.03946 83.6649      3.88464  83.6649      3.88464  130.034     90          86.2361     90          
1 1 1 9  10 1  o 122.456 2.03552 81.9367      3.83436  81.4488      3.84229  96.9869     200.03      11.8923     20.0301     
1 1 1 9  10 2  o 181.973 1.95053 186.339      5.47374  174.54       5.45402  146.17      349.992     38.3505     169.992     
1 1 1 9  10 3  o 51.8224 2.83029 15.6577      2.15066  13.8247      2.31026  0.904858    249.947     14.2792     249.947     
1 1 1 9  10 4  o 466.992 1.92216 1182.41      13.8169  1193.65      13.828   550.081     143.045     221.67      143.045     
1 1 1 9  10 5  o 203.809 1.93357 225.476      6.06724  227.103      6.06948  211.856     217.752     51.8956     217.752     
1 1 1 9  10 6  o 44.7389 3.01925 10.2947      2.05002  11.7567      2.05168  14.1321     211.487     65.0246     211.487     
1 1 1 9  10 7  o 226.887 2.04621 279.671      7.15444  281.278      7.14361  238.143     125.296     58.4491     125.296     
1 1 1 9  10 8  o 49.7016 3.01431 14.4619      2.19601  12.7084      2.35101  7.07297     300.034     66.3914     300.035     
1 1 1 9  10 9  o 95.246  2.28624 50.4304      3.34528  48.5753      3.35037  22.9575     106.413     119.941     286.413     
1 1 1 9  10 10 o 108.308 2.22505 58.5436      3.69435  69.6716      3.69884  106.445     237.938     38.1349     237.938     
1 1 1 9  10 11 f 141.157 2.13042 106.761      4.65234  110.437      4.60744  123.964     84.0715     0           0           
1 1 1 9  10 12 o 110.529 2.1179  60.9322      3.46718  72.585       3.73321  79.0091     242.744     36.1463     62.744      
1 1 1 9  10 13 o 126.283 2.09048 83.7188      3.90587  90.178       4.22589  91.7393     329.17      43.6793     149.17      
1 1 1 9  10 14 o 17.5857 4.03876 2.70595      1.42287  0.160339     1.3478   16.152      72.4038     36.1749     72.4038     
1 1 1 9  10 15 o 119.45  2.02093 77.3048      3.72101  78.2354      3.71343  71.3568     81.206      72.5158     261.206     
1 1 1 9  10 16 o 178.918 1.95099 179.18       5.37925  169.838      5.36865  168.73      1.45368     9.35598     1.45368     
1 1 1 9  10 17 o 206.872 1.92919 226.046      6.13176  240.601      6.1557   180.082     340.957     22.1378     160.957     
1 1 1 9  10 18 f 180.449 1.95025 175.113      5.41269  179.902      5.42508  163.647     313.096     0           0           
1 1 1 9  10 19 o 176.693 1.95067 167.266      5.30924  173.157      5.30454  134.577     353.908     55.4312     173.908     
1 1 1 9  10 20 o 89.1605 2.19026 46.4712      3.01034  40.4478      2.98548  29.3102     74.3505     98.7796     254.351     
1 1 1 9  10 21 o 30.3953 3.84773 7.68779      1.76405  3.14529      1.64233  12.964      72.8265     51.5923     72.8265     
1 1 1 9  10 22 o 110.364 2.24419 67.4175      3.82222  65.5865      3.79751  92.3953     252.948     12.6467     72.9478     
1 1 1 9  10 23 o 118.152 2.27751 76.3579      4.43852  76.0825      3.81863  135.402     213.066     61.916      213.066     
1 1 1 9  10 24 o 15.7327 4.37778 0.760343     1.61851  0.785047     1.49337  17.0537     124.795     39.6995     124.795     
1 1 1 9  10 25 o 167.697 2.01084 143.942      5.17136  163.133      5.20054  165.633     312.42      24.8072     312.42      
1 1 1 9  10 26 o 99.2402 2.53408 57.5532      3.67286  50.2885      4.0146   73.6637     88.682      29.1696     268.682     
1 1 1 9  10 27 o 162.788 2.38141 140.037      5.95616  149.468      5.97903  183.135     314.982     70.1192     314.982     
1 1 1 9  10 28 o 49.0407 3.21886 11.1273      2.37262  15.6427      2.37125  32.3382     261.503     11.4811     81.5029     
1 1 1 9  10 29 o 61.9623 2.85838 22.083       2.55541  20.16        2.8425   33.3732     128.297     41.2575     308.297     
1 1 1 9  10 30 f 61.9898 3.06558 16.4642      2.81993  26.4925      2.87538  39.7301     274.375     0           0           
1 1 1 9  10 31 o 40.2661 3.75144 10.0215      2.37416  8.21007      2.16312  5.53366     212.559     2.34176     212.559     
1 1 1 9  10 32 o 17.1719 4.9292  0.404711     1.85844  1.06997      2.21153  3.00974     188.513     9.35414     188.513     
1 1 1 9  10 33 o 77.3798 2.7718  35.7886      2.78713  30.3186      3.64371  54.3412     132.498     28.7653     312.498     
1 1 1 9  10 34 o 51.8259 2.74461 15.2252      2.15908  14.5183      2.18792  21.797      200.161     46.6795     20.1613     
1 1 1 9  10 35 o 30.0934 3.95397 5.62611      1.78219  4.823        1.74585  18.116      133.061     5.30888     133.061     
1 1 1 9  10 36 o 30.2232 3.95975 5.22325      1.76296  5.34602      1.78715  19.8928     208.947     8.01011     28.9469     
1 1 1 9  10 37 o 16.2706 4.44428 1.03301      1.56223  1.0724       1.59726  8.48473     190.233     40.2062     190.233     
1 1 1 9  10 38 o 29.2906 4.03947 5.6461       1.79534  4.43087      1.71737  21.2102     109.215     3.59312     289.215     
1 1 1 9  10 39 o 22.3487 4.77342 4.84868      2.16833  1.05793      1.66311  10.2586     36.7085     2.18445     36.7085     
1 1 1 9  10 40 o 69.4904 2.63615 25.3829      2.81184  28.5885      2.80032  71.608      31.1112     20.1385     31.1112     
1 1 1 9  10 41 o 25.0759 4.56861 4.93442      1.78283  2.67219      1.8713   17.462      213.75      3.70957     33.7496     
1 1 1 9  10 42 o 44.6509 3.07023 11.5969      2.08754  11.1229      2.08053  41.8656     126.04      5.83559     126.04      
1 1 1 9  10 43 o 27.8687 4.47809 4.96543      1.89834  4.5869       1.85837  23.8028     65.6252     2.50623     65.6252     
1 1 1 9  10 44 o 28.7778 4.31321 3.3382       1.8822   7.04025      1.8687   22.6453     276.565     1.33014     96.5651     
1 1 1 9  10 45 o 51.3371 2.95446 16.8178      2.3054   13.5261      2.30063  50.3526     109.415     11.7698     109.415     
1 1 1 9  10 46 o 50.9131 3.06813 15.5518      2.31982  14.4603      2.43494  53.7708     343.506     20.0568     343.506     
1 1 1 9  10 47 o 31.7263 4.83247 6.38977      2.29639  6.69532      2.28607  26.7544     192.12      1.60677     192.12      
1 1 1 9  10 48 o 35.9807 4.40163 10.9075      2.31559  5.94793      2.28216  30.5223     237.257     0.369659    237.257     
1 1 1 9  10 49 o 17.2202 5.06695 0.198188     2.26534  2.2508       2.29254  9.25351     228.714     6.0216      48.714      
1 1 1 9  10 50 o 16.8424 5.00083 0.233978     2.09203  2.17658      2.35391  6.83255     335.708     2.34901     335.708     
1 1 1 9  10 51 o 13.3996 4.39575 0.0639263    2.16577  -1.98513     2.252    3.12584     169.792     2.50532     349.792     
1 1 1 9  10 52 o 52.4287 3.41505 18.2961      2.58881  16.0013      2.81698  50.3994     134.888     10.4099     134.888     
1 1 1 9  10 53 o 13.9519 4.3854  -1.19732     2.004    1.27506      1.9372   5.72759     131.335     7.81928     311.335     
1 1 1 9  10 54 o 15.3153 4.59417 -0.228919    1.96799  2.13388      1.96313  6.31963     114.646     9.03681     294.646     
1 1 1 9  10 55 o 15.1001 4.76719 1.55432      2.24469  -0.178735    2.36024  7.84384     195.266     2.8434      15.2665     
1 1 1 9  10 56 o 14.2461 4.50485 1.46442      2.09169  -0.571127    2.04381  3.48021     89.2459     1.40181     269.246     
1 1 1 9  10 57 o 12.8036 4.28129 -2.40709     2.58717  0.0822155    2.0529   0.85548     203.549     6.09181     23.5487     
1 1 1 9  10 58 o 26.5502 5.96987 8.51573      2.94323  5.82728      2.59183  24.783      279.132     11.6417     279.132     
1 1 1 9  10 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  11 0  o 363.071 1.90895 718.049      10.6714  718.049      10.6714  325.213     90          35.4692     270         
1 1 1 9  11 1  o 180.04  1.94912 175.083      5.40221  178.132      5.40506  203.757     14.9707     84.9842     14.9707     
1 1 1 9  11 2  o 110.485 2.14111 70.5082      3.51073  62.7008      3.74319  85.135      161.191     17.6344     341.191     
1 1 1 9  11 3  f 43.4386 2.91605 9.40007      1.92753  11.4153      1.90842  36.6046     157.035     0           0           
1 1 1 9  11 4  o 124.603 2.01846 83.7822      3.88326  85.4202      3.86211  44.5322     309.439     135.104     129.439     
1 1 1 9  11 5  o 85.3508 2.25605 42.9577      2.873    36.6829      3.01908  5.53295     85.1837     159.271     85.1837     
1 1 1 9  11 6  o 80.6412 2.33119 35.3178      2.89483  35.6932      2.88249  51.8632     78.1096     19.6457     78.1096     
1 1 1 9  11 7  o 105.637 2.1968  62.8905      3.58108  58.8878      3.55606  48.9763     282.459     87.947      102.459     
1 1 1 9  11 8  o 96.542  2.10635 50.8306      3.1306   50.8574      3.12466  74.0837     89.9563     50.4131     89.9563     
1 1 1 9  11 9  o 46.56   3.15324 15.0088      2.36815  9.22387      2.05558  31.7145     102.24      132.989     102.24      
1 1 1 9  11 10 o 211.824 2.05998 250.76       6.73182  238.408      6.70435  201.017     68.3242     10.9665     68.3243     
1 1 1 9  11 11 o 101.399 2.22911 50.6512      3.57897  61.8369      3.31581  58.1994     47.0249     62.4225     227.025     
1 1 1 9  11 12 o 188.748 1.99929 192.471      5.98825  195.876      5.6244   187.68      81.3671     29.2895     81.3671     
1 1 1 9  11 13 o 102.161 2.10231 55.6836      3.30612  58.2129      3.30001  68.3223     314.795     42.1725     134.795     
1 1 1 9  11 14 o 56.6848 2.56693 17.9053      2.29955  17.2964      2.15781  18.3778     147.859     2.86101     327.859     
1 1 1 9  11 15 o 106.616 2.12998 60.7208      3.60073  63.3407      3.37649  95.4061     133.326     7.55099     133.326     
1 1 1 9  11 16 o 96.225  2.14483 54.0092      3.16678  47.1801      3.17021  68.8267     98.3072     27.3748     278.307     
1 1 1 9  11 17 o 170.587 1.95926 153.263      5.12977  164.108      5.16007  113.565     89.3277     85.454      269.328     
1 1 1 9  11 18 o 42.7808 2.87068 10.4023      1.86702  9.76824      1.86828  1.50031     132.593     3.7806      312.593     
1 1 1 9  11 19 o 115.757 2.07807 76.2291      3.71041  70.0266      3.69041  88.2928     36.8299     30.1802     216.83      
1 1 1 9  11 20 o 192.518 1.95682 198.966      5.79644  205.231      5.80491  169.38      321.988     15.3337     141.988     
1 1 1 9  11 21 o 205.48  1.95822 235.185      6.2018   225.325      6.18865  208.61      266.178     39.1236     266.178     
1 1 1 9  11 22 o 123.691 2.07337 82.2056      3.94625  84.6902      3.95146  93.3721     106.983     37.0159     286.983     
1 1 1 9  11 23 o 175.814 2.07469 165.447      5.79414  171.785      5.42509  153.277     102.571     15.3921     282.571     
1 1 1 9  11 24 o 89.6348 2.26183 38.7237      3.07875  49.4064      3.12532  71.007      144.349     14.3045     324.349     
1 1 1 9  11 25 o 135.561 2.07085 99.9431      4.31641  100.595      4.32931  102.059     183.638     41.8578     3.63832     
1 1 1 9  11 26 o 52.1348 3.22412 13.3019      2.64059  16.7908      2.41895  23.466      190.125     37.9821     10.1253     
1 1 1 9  11 27 o 71.9088 2.79685 27.7498      3.24441  29.0111      2.90672  37.9868     296.576     50.6707     116.576     
1 1 1 9  11 28 o 61.8318 3.06521 22.2848      2.954    19.8657      2.84387  53.9898     21.3861     4.16653     21.3861     
1 1 1 9  11 29 o 114.092 2.84001 75.7132      4.32462  67.2781      5.48427  114.486     332.3       24.2653     332.3       
1 1 1 9  11 30 o 107.116 2.44567 67.0784      3.84097  58.8473      4.17373  87.9602     35.7662     16.3023     215.766     
1 1 1 9  11 31 o 61.9107 3.07545 23.9104      2.90978  18.6365      2.88287  51.3408     85.7538     2.16971     265.754     
1 1 1 9  11 32 o 20.5611 5.0506  1.53215      1.96866  2.72518      1.99261  10.5366     188.477     44.4952     188.477     
1 1 1 9  11 33 o 104.544 2.14922 59.1919      3.45007  60.762       3.4622   103.314     265.803     19.1558     265.803     
1 1 1 9  11 34 o 42.8167 3.06111 9.28984      1.96691  11.2501      2.00081  42.6713     170.175     18.7578     170.175     
1 1 1 9  11 35 o 103.641 2.19975 53.7124      3.3694   64.7941      3.64104  90.6916     333.017     5.53962     153.017     
1 1 1 9  11 36 o 98.1312 2.52255 55.9547      3.88975  50.6949      3.72075  98.0211     56.2354     19.7561     56.2354     
1 1 1 9  11 37 o 64.4458 2.71529 21.2735      2.57325  25.0693      2.79134  59.96       309.028     5.97586     309.028     
1 1 1 9  11 38 o 31.1393 3.93081 6.27175      1.84536  5.0894       1.78181  19.6263     144.371     11.8942     324.371     
1 1 1 9  11 39 o 30.2978 4.15364 7.43958      1.93524  3.67806      1.79461  16.3919     201.012     17.337      21.0116     
1 1 1 9  11 40 o 39.7722 3.52335 9.86607      2.11439  8.38033      2.09427  27.8521     75.2807     12.8194     255.281     
1 1 1 9  11 41 o 14.9768 4.38915 0.520013     1.61434  0.549322     1.69983  4.6088      76.6375     3.84258     256.638     
1 1 1 9  11 42 o 16.3525 4.5214  1.5139       1.66472  0.68876      1.66771  7.48056     79.8805     3.06082     259.88      
1 1 1 9  11 43 o 16.065  4.56714 0.41659      1.83342  1.38243      1.67855  4.67087     254.69      10.4506     74.6901     
1 1 1 9  11 44 f 21.249  4.87578 2.92274      1.81193  2.66357      1.84051  13.4685     76.7337     0           0           
1 1 1 9  11 45 o 33.6526 4.11918 5.29142      2.0329   8.69954      2.01239  29.6309     342.141     4.11        342.141     
1 1 1 9  11 46 o 24.748  5.33236 5.15421      2.20487  2.95025      2.39373  16.0109     101.411     6.31666     281.411     
1 1 1 9  11 47 o 26.1516 4.87371 4.71075      2.01397  4.44574      1.96654  19.4508     144.365     2.58156     324.365     
1 1 1 9  11 48 o 17.8294 5.18046 1.71207      2.50809  1.48178      2.05684  10.3805     326.741     3.70757     146.741     
1 1 1 9  11 49 o 19.033  5.35531 3.63185      2.51763  0.239963     2.47496  11.3451     60.5905     5.46508     240.591     
1 1 1 9  11 50 o 15.7052 4.70678 0.268524     1.95634  1.55219      2.0308   2.18084     215.008     18.5953     35.0078     
1 1 1 9  11 51 o 18.934  5.09032 2.72129      1.98231  2.16887      2.14721  13.2422     138.287     0.380351    318.287     
1 1 1 9  11 52 o 22.9939 5.43999 4.67907      2.22029  3.7035       2.36459  22.5858     121.804     12.0938     121.804     
1 1 1 9  11 53 o 15.6437 4.72221 1.53906      1.97827  0.809605     2.068    9.23309     287.484     0.0160539   287.484     
1 1 1 9  11 54 o 13.1819 4.28928 0.379181     1.9988   -0.947661    2.0514   0.768303    338.232     0.00464763  338.232     
1 1 1 9  11 55 f 16.2176 4.86847 2.16803      2.0565   0.874913     2.26573  6.20405     286.329     0           0           
1 1 1 9  11 56 o 23.4547 5.62538 5.03423      2.29424  4.80158      2.584    17.4205     354.566     5.75793     354.566     
1 1 1 9  11 57 o 14.4391 4.67011 0.336932     2.27328  0.834308     2.38054  0.514068    152.15      18.1851     332.15      
1 1 1 9  11 58 o 14.7621 4.74378 1.52283      2.3262   0.61022      2.40477  6.54022     158.189     0.57317     158.189     
1 1 1 9  11 59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  12 0  o 42.5964 2.93417 10.1665      1.87985  10.1665      1.87985  7.01661     90          60.7926     90          
1 1 1 9  12 1  o 187.366 1.93783 185.37       5.58344  197.325      5.59497  206.147     25.463      72.3891     25.463      
1 1 1 9  12 2  o 85.9933 2.16909 36.9985      2.8573   43.8618      2.86269  53.9121     25.0828     34.3909     205.083     
1 1 1 9  12 3  o 57.2408 2.48026 18.301       2.18796  17.567       2.16322  19.0293     151.004     32.7726     331.004     
1 1 1 9  12 4  o 98.1243 2.11555 45.5107      3.15363  60.047       3.19066  56.0417     61.9066     58.3406     241.907     
1 1 1 9  12 5  o 76.0569 2.3017  32.1268      2.61912  31.0645      2.75515  18.5255     334.441     91.5519     154.441     
1 1 1 9  12 6  o 399.84  2.04295 859.444      12.5779  883.313      12.5776  405.219     261.41      63.9676     261.41      
1 1 1 9  12 7  o 76.6081 2.29499 30.5014      2.76822  33.6441      2.61958  42.542      210.272     40.295      30.2718     
1 1 1 9  12 8  o 74.5906 2.31689 30.7873      2.74976  30.002       2.55831  42.6278     162.928     34.7233     342.928     
1 1 1 9  12 9  o 100.867 2.34248 56.9985      3.50504  54.0922      3.74935  80.1623     150.396     12.9413     330.396     
1 1 1 9  12 10 o 97.0222 2.25622 48.9029      3.36003  53.9181      3.36672  69.3923     291.919     27.8429     111.919     
1 1 1 9  12 11 o 278.471 1.97688 414.766      8.77471  430.678      8.15418  225.035     245.015     66.5533     65.0151     
1 1 1 9  12 12 o 132.492 1.99376 102.589      4.06936  89.0326      4.05202  87.7392     181.532     62.9277     1.53156     
1 1 1 9  12 13 o 196.95  1.91688 205.24       5.79903  217.724      5.82503  155.578     292.234     50.224      112.234     
1 1 1 9  12 14 o 248.164 1.89863 324.785      7.24407  346.794      7.26169  217.127     310.638     23.5378     130.638     
1 1 1 9  12 15 o 13.9657 3.8944  -0.0517961   1.26657  1.04945      1.26917  28.295      184.566     60.6912     184.566     
1 1 1 9  12 16 o 141.945 1.99948 114.068      4.37527  105.719      4.36144  105.576     85.4692     45.4841     265.469     
1 1 1 9  12 17 o 146.64  1.98037 123.489      4.48087  111.16       4.45491  203.131     74.7354     159.427     74.7354     
1 1 1 9  12 18 o 130.585 2.03977 96.2026      4.10191  89.8326      4.09801  94.8581     252.363     46.3834     72.3634     
1 1 1 9  12 19 o 186.697 1.95371 189.166      5.61988  190.955      5.6136   188.717     42.8961     35.9071     42.8961     
1 1 1 9  12 20 o 93.2093 2.19302 45.0552      3.13704  49.899       3.14363  64.6771     174.743     35.0287     354.743     
1 1 1 9  12 21 o 62.9773 2.52505 19.5266      2.41299  24.0327      2.44715  26.5806     25.1026     52.3359     205.103     
1 1 1 9  12 22 o 32.1281 3.81316 7.07011      1.81309  4.66219      1.7877   2.99988     184.289     35.282      184.289     
1 1 1 9  12 23 o 57.3249 2.7025  17.9951      2.4151   18.0747      2.32779  37.2843     216.542     13.4378     36.5416     
1 1 1 9  12 24 o 73.3012 2.38589 29.1873      2.67812  29.6197      2.6936   43.6754     147.612     39.2122     327.612     
1 1 1 9  12 25 f 141.102 2.30497 107.223      4.76138  110.27       5.2493   120.572     306.7       0           0           
1 1 1 9  12 26 o 23.8583 5.3145  3.72881      1.89793  2.16582      2.63928  0.410318    218.55      7.14062     218.55      
1 1 1 9  12 27 o 122.515 2.0978  82.9062      3.95803  81.0919      3.95702  93.6328     344.075     34.2309     164.075     
1 1 1 9  12 28 o 65.404  2.85532 24.6416      2.86287  22.4733      2.85597  61.0264     211.631     12.718      211.631     
1 1 1 9  12 29 o 62.9778 3.38382 20.2098      3.13484  23.7994      3.37776  55.269      238.99      5.74022     238.99      
1 1 1 9  12 30 o 32.5071 4.49464 9.53179      2.31156  3.20758      2.06228  5.81274     313.309     35.447      133.309     
1 1 1 9  12 31 o 95.3331 2.45339 46.4411      3.71339  53.5747      3.4376   97.6683     128.108     26.4274     128.108     
1 1 1 9  12 32 o 72.7225 2.54446 28.6998      2.83281  29.6153      2.84797  64.4726     331.323     1.22988     331.323     
1 1 1 9  12 33 o 91.7036 2.69956 45.2876      4.01986  47.6801      3.55801  82.6881     148.168     1.4803      148.168     
1 1 1 9  12 34 o 51.2308 2.8552  14.511       2.33202  14.7334      2.12921  54.9564     322.093     22.4571     322.093     
1 1 1 9  12 35 o 50.2631 2.83824 11.2121      2.11523  17.3226      2.16483  24.2711     104.768     39.9417     284.768     
1 1 1 9  12 36 o 15.2283 4.30889 0.0348216    1.57057  1.25627      1.56138  1.07067     21.6911     17.611      21.6911     
1 1 1 9  12 37 o 15.5808 4.37947 1.32612      1.59776  0.206131     1.60306  0.0242323   187.038     16.4323     7.03801     
1 1 1 9  12 38 o 40.0113 3.66645 7.51001      2.22166  11.0985      2.06259  42.1813     142.536     18.8394     142.536     
1 1 1 9  12 39 f 15.098  4.45507 0.532072     1.59754  0.376095     1.85375  3.02699     55.7614     0           0           
1 1 1 9  12 40 o 49.1764 3.28647 14.6198      2.36054  13.0589      2.5337   53.3962     123.326     21.7595     123.326     
1 1 1 9  12 41 o 66.4854 2.82577 25.4972      2.74243  24.5275      3.00307  68.9921     154.674     20.9334     154.674     
1 1 1 9  12 42 o 27.4718 4.49242 3.97089      1.86654  5.40797      1.87545  14.0604     229.114     17.2192     49.1136     
1 1 1 9  12 43 o 15.331  4.44449 0.0149904    1.6963   1.32846      1.72027  3.78173     88.9861     6.97551     268.986     
1 1 1 9  12 44 o 54.7622 3.04567 15.8835      2.50193  18.7523      2.5848   55.4316     245.075     16.5275     245.075     
1 1 1 9  12 45 o 87.1877 2.87721 49.7883      4.0564   38.0819      3.63978  87.5095     154.819     22.2577     154.819     
1 1 1 9  12 46 o 16.0907 4.69068 1.26197      1.89056  0.742223     1.87729  6.26166     30.4474     3.13715     210.447     
1 1 1 9  12 47 o 58.3738 2.97584 20.0815      2.74269  20.0448      2.56739  61.4656     163.907     22.0638     163.907     
1 1 1 9  12 48 o 16.141  4.9072  1.30887      2.21709  0.316962     2.20848  9.2159      192.553     0.0150872   12.5516     
1 1 1 9  12 49 o 18.9223 4.85138 3.46827      1.93049  0.997912     1.93602  12.8416     308.513     0.99117     308.513     
1 1 1 9  12 50 o 19.9672 5.41264 4.08595      2.16415  -0.474369    3.57682  14.8369     184.683     2.58722     184.683     
1 1 1 9  12 51 o 15.1624 4.65108 0.110618     1.9415   1.46121      2.10804  5.7265      65.267      2.62626     65.267      
1 1 1 9  12 52 f 12.5564 4.13647 0.0420792    1.9138   -1.77389     2.07163  7.09809     325.061     0           0           
1 1 1 9  12 53 o 14.7262 4.58982 1.71099      2.123    -0.57906     2.04056  7.23767     280.384     3.3632      100.384     
1 1 1 9  12 54 o 15.4071 4.71407 1.21068      2.01817  1.20087      2.09235  2.92097     35.0263     17.027      215.026     
1 1 1 9  12 55 f 15.0175 4.59084 -1.46807     2.19298  2.49806      2.08014  8.84989     306.018     0           0           
1 1 1 9  12 56 o 21.2467 5.38803 3.03375      2.24295  4.97415      2.32977  13.7622     273.093     0.538231    93.0933     
1 1 1 9  12 57 o 16.4423 4.94284 1.4875       2.20752  2.78241      2.21288  8.9451      117.662     1.52324     297.662     
1 1 1 9  12 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  13 0  o 66.7379 2.33374 24.4446      2.38492  24.4446      2.38492  19.2675     90          83.6237     270         
1 1 1 9  13 1  f 121.678 2.0139  83.2618      3.77521  78.1742      3.76908  84.7468     129.338     0           0           
1 1 1 9  13 2  o 154.505 1.96663 134.076      4.68804  126.199      4.66735  143.503     188.143     8.95904     188.143     
1 1 1 9  13 3  o 102.027 2.07982 59.1138      3.26609  54.512       3.25852  59.0505     46.4167     60.3121     226.417     
1 1 1 9  13 4  o 110.515 2.04223 67.1849      3.47143  66.0576      3.47337  75.5887     75.9502     43.0049     255.95      
1 1 1 9  13 5  o 102.713 2.20953 55.4298      3.49294  59.7567      3.48431  95.5179     286.687     18.678      286.687     
1 1 1 9  13 6  o 101.227 2.20836 58.2203      3.44392  53.6698      3.42879  61.3815     294.033     53.4868     114.033     
1 1 1 9  13 7  o 77.1149 2.2116  32.8768      2.62432  32.0815      2.61705  56.8906     75.7539     3.83886     255.754     
1 1 1 9  13 8  f 103.742 2.15039 64.7197      3.5657   53.0312      3.29349  93.883      21.3195     0           0           
1 1 1 9  13 9  o 105.227 2.23425 63.8977      3.62805  57.0701      3.59732  48.9608     127.027     87.6268     307.027     
1 1 1 9  13 10 o 187.276 2.00529 192.379      5.59123  190.027      5.96605  162.137     128.793     16.6871     308.793     
1 1 1 9  13 11 o 136.187 1.98149 98.789       4.1516   103.462      4.15777  128.06      275.407     15.1485     275.407     
1 1 1 9  13 12 o 236.486 1.89032 306.993      6.88816  302.738      6.87932  225.422     95.6798     17.1017     95.6798     
1 1 1 9  13 13 o 99.8975 2.10366 59.433       3.23918  49.7172      3.20885  44.8034     0.597217    86.6332     180.597     
1 1 1 9  13 14 o 103.151 2.11112 56.4376      3.33722  59.7309      3.36095  64.3755     144.186     53.0812     324.187     
1 1 1 9  13 15 o 13.7423 3.87069 0.997621     1.26809  -0.166369    1.26754  15.2603     327.311     33.3625     327.311     
1 1 1 9  13 16 f 276.615 2.10152 392.802      8.51174  442.556      9.39846  232.447     9.31204     0           0           
1 1 1 9  13 17 o 48.9663 2.80323 10.8552      2.0555   15.7347      2.07979  16.1359     108.789     41.7486     288.789     
1 1 1 9  13 18 o 55.2924 2.63741 17.4705      2.23161  16.0797      2.23024  35.5034     56.7041     11.804      56.7041     
1 1 1 9  13 19 o 56.8034 2.59364 18.0247      2.25738  17.3594      2.25512  41.0127     297.726     4.84708     297.726     
1 1 1 9  13 20 o 139.828 2.03672 104.144      4.37782  109.185      4.39157  121.065     279.503     9.59546     99.5025     
1 1 1 9  13 21 o 117.191 2.09256 75.574       3.77271  74.3901      3.77361  93.6782     336.413     21.5414     156.413     
1 1 1 9  13 22 o 90.2195 2.45618 42.8592      3.08507  46.2145      3.71722  75.7079     273.314     5.57189     93.3138     
1 1 1 9  13 23 o 22.024  4.95563 2.65111      1.94161  2.61047      1.84109  10.3095     306.571     35.6345     306.571     
1 1 1 9  13 24 o 140.084 2.19829 105.097      4.73608  109.275      4.74681  123.441     181.583     6.40795     1.58272     
1 1 1 9  13 25 o 136.709 2.21772 98.1669      4.66775  106.148      4.66408  123.247     92.6086     0.342854    272.609     
1 1 1 9  13 26 o 40.3689 3.23134 9.68313      1.96781  8.45916      1.97006  23.0423     215.212     10.7276     35.212      
1 1 1 9  13 27 o 42.0704 3.53637 9.37241      2.24878  10.4069      2.23668  15.967      227.073     34.0399     47.0727     
1 1 1 9  13 28 o 26.7745 4.68262 1.28871      2.17737  6.83043      2.11041  5.12546     34.2619     44.4021     34.2619     
1 1 1 9  13 29 o 46.8725 3.30738 11.9897      2.58419  12.4889      2.0796   26.583      270.855     23.6361     90.8549     
1 1 1 9  13 30 o 160.055 2.40587 139.371      6.45959  141.882      5.33381  143.319     17.0382     2.23337     197.038     
1 1 1 9  13 31 o 59.5971 3.21247 18.9987      2.54903  20.5681      3.27864  53.0696     172.692     3.84638     172.692     
1 1 1 9  13 32 o 80.6424 2.3606  33.635       2.78688  38.126       3.06547  95.3784     150.857     49.4149     150.857     
1 1 1 9  13 33 f 13.9363 4.14842 -0.690639    1.46526  0.871683     1.64086  20.0589     29.3497     0           0           
1 1 1 9  13 34 o 43.112  3.3454  9.60627      2.1697   11.4549      2.18399  29.2774     225.973     15.4889     45.9728     
1 1 1 9  13 35 o 26.5724 4.63169 5.00987      2.0509   3.48841      1.73086  6.06382     189.944     30.9595     9.9436      
1 1 1 9  13 36 o 24.3124 4.82039 3.50322      2.03291  3.59091      1.73098  15.1169     120.663     3.22682     300.663     
1 1 1 9  13 37 o 65.1976 2.7465  22.6354      2.82445  24.9792      2.64668  62.1562     34.9431     10.0073     34.9431     
1 1 1 9  13 38 o 36.5582 3.7164  8.95204      2.01307  6.65117      2.00981  26.8417     191.703     8.13315     11.7025     
1 1 1 9  13 39 o 67.2977 2.61626 23.6914      2.58405  27.1625      2.81908  60.387      214.689     2.13681     214.689     
1 1 1 9  13 40 o 33.5296 4.09716 5.36331      2.05192  8.21353      1.96119  26.0444     73.8868     4.48134     253.887     
1 1 1 9  13 41 o 38.9232 3.82224 9.38882      2.27592  8.58245      2.18217  32.2852     129.548     1.42547     309.548     
1 1 1 9  13 42 o 14.4493 4.36981 0.375007     1.77621  0.200899     1.67706  2.40267     281.473     5.54691     101.473     
1 1 1 9  13 43 f 50.1422 3.14949 11.6452      2.27221  17.7847      2.48971  50.4719     34.4361     0           0           
1 1 1 9  13 44 o 31.1673 4.89292 6.58318      2.20402  5.99729      2.37217  20.0946     225.238     11.0232     45.2381     
1 1 1 9  13 45 o 18.5866 4.877   3.1253       1.92375  0.379117     2.10056  7.87002     89.0565     2.13202     89.0565     
1 1 1 9  13 46 o 37.0652 4.73619 9.26074      2.31224  8.83019      2.85083  34.6277     242.376     7.43126     242.376     
1 1 1 9  13 47 o 16.7801 5.13699 0.743215     2.26497  1.1501       2.61336  10.1681     344.009     0.547182    164.009     
1 1 1 9  13 48 o 21.5481 5.11509 2.96366      1.99914  3.61374      2.01874  16.7441     267.243     2.73283     267.243     
1 1 1 9  13 49 o 25.8744 4.88765 6.67398      2.10556  3.0091       2.11699  25.4982     220.594     13.2241     220.594     
1 1 1 9  13 50 o 16.7481 4.80396 0.619825     1.96446  2.47643      2.00819  11.1806     21.8973     0.796398    201.897     
1 1 1 9  13 51 o 18.2931 5.12429 1.63698      2.20441  2.98921      2.1563   10.5887     272.384     6.1512      92.3838     
1 1 1 9  13 52 f 14.9102 4.62776 -0.567425    2.00199  1.88566      2.1824   12.6054     232.512     0           0           
1 1 1 9  13 53 o 17.7662 5.17628 1.89454      2.3447   2.73523      2.26188  12.0703     160.306     1.97647     160.306     
1 1 1 9  13 54 o 27.6136 5.39022 5.84779      2.44319  6.84797      2.32515  22.5283     37.601      2.70508     37.601      
1 1 1 9  13 55 o 19.0734 5.22616 2.75265      2.16843  3.34989      2.21846  9.63368     160.519     3.87868     340.519     
1 1 1 9  13 56 o 12.0627 4.08403 -0.173022    2.12636  -2.16869     2.26076  1.7247      282.536     7.3451      102.536     
1 1 1 9  13 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  14 0  o 56.9241 2.50634 17.8638      2.17723  17.8638      2.17723  11.1378     90.0001     0.538403    270         
1 1 1 9  14 1  o 75.6291 2.34145 28.0627      2.78802  34.6217      2.60653  57.9786     240.022     16.948      240.022     
1 1 1 9  14 2  o 238.707 1.92063 309.408      7.0627   311.797      7.05699  250.649     5.56823     65.6713     5.56823     
1 1 1 9  14 3  o 173.923 1.95572 163.223      5.23957  166.58       5.23572  131         213.682     53.2073     33.6824     
1 1 1 9  14 4  o 154.471 1.97592 131.329      4.70652  128.836      4.69347  129.997     257.222     17.0213     77.2222     
1 1 1 9  14 5  o 91.7292 2.2602  45.4582      3.19175  46.4342      3.18332  85.2859     190.754     52.8996     190.754     
1 1 1 9  14 6  o 94.8505 2.23096 48.9581      3.26242  49.2796      3.24544  67.0644     265.417     26.4996     85.4167     
1 1 1 9  14 7  o 186.619 1.94906 181.628      5.5876   198.28       5.60733  207.629     204.765     79.6072     204.765     
1 1 1 9  14 8  o 261.526 2.0556  374.064      8.28085  371.801      8.27577  280.007     271.277     81.611      271.277     
1 1 1 9  14 9  o 144.41  2.20158 113.071      5.07101  114.405      4.71165  128.874     274.718     0.317757    94.7174     
1 1 1 9  14 10 o 258.644 1.90884 373.332      7.61527  356.171      7.58741  257.674     221.297     41.6748     221.297     
1 1 1 9  14 11 o 182.09  1.93238 177.252      5.41204  184.325      5.42334  187.301     178.408     45.1915     178.408     
1 1 1 9  14 12 o 81.5414 2.23668 37.6026      2.81615  35.0674      2.78845  66.763      308.118     2.05086     128.118     
1 1 1 9  14 13 o 41.4224 3.07555 8.40303      1.97215  10.621       1.84837  1.6702      250.947     53.8679     70.947      
1 1 1 9  14 14 o 123.356 1.98697 81.8689      3.77482  84.0941      3.77332  94.3867     60.5649     32.2046     240.565     
1 1 1 9  14 15 o 183.375 1.90326 181.922      5.38059  184.778      5.36785  160.609     267.225     12.1803     87.2253     
1 1 1 9  14 16 o 163.254 1.93395 149.772      4.88002  140.958      4.84137  181.851     27.6036     70.4384     27.6036     
1 1 1 9  14 17 o 159.775 1.95078 142.121      4.79861  136.344      4.79906  133.14      129.689     22.5013     309.689     
1 1 1 9  14 18 o 33.8317 4.39602 9.61792      1.82812  3.74265      2.37617  0.42099     111.879     31.6798     111.879     
1 1 1 9  14 19 o 177.421 2.1358  157.546      5.32817  186.618      6.35253  147.799     187.821     25.8041     7.82111     
1 1 1 9  14 20 o 68.9392 2.44898 25.3582      2.58979  26.6949      2.59188  50.9702     140.844     12.8369     320.844     
1 1 1 9  14 21 o 20.0099 4.58061 2.16309      1.60186  2.11826      1.61997  26.2677     24.5414     73.0143     24.5414     
1 1 1 9  14 22 o 137.374 2.20558 99.3537      4.64717  106.853      4.68072  113.644     83.5183     20.2753     263.518     
1 1 1 9  14 23 o 63.4591 2.73788 21.5465      2.68034  22.7099      2.64241  40.1432     160.45      28.4105     340.45      
1 1 1 9  14 24 o 51.5469 2.78541 13.9566      2.18728  15.341       2.19753  45.3113     61.2783     15.1198     61.2782     
1 1 1 9  14 25 o 68.7552 2.45054 27.2632      2.59507  24.6576      2.57318  34.4684     38.0645     50.4677     218.065     
1 1 1 9  14 26 o 20.0636 5.06787 1.14769      2.36756  2.41473      1.72872  12.457      4.56792     42.3757     4.56792     
1 1 1 9  14 27 o 49.9385 3.1749  15.1284      2.39378  12.6205      2.41691  33.5783     313.457     13.9733     133.457     
1 1 1 9  14 28 o 44.1512 3.32017 10.3971      1.96253  11.3841      2.47012  32.2287     216.084     4.61657     36.0838     
1 1 1 9  14 29 f 76.165  2.41774 31.0174      2.90606  32.8584      2.7414   56.1046     124.119     0           0           
1 1 1 9  14 30 o 30.471  4.20255 6.23396      1.90457  4.57109      1.89196  19.1452     179.812     2.30421     359.812     
1 1 1 9  14 31 o 58.5564 2.57576 18.0696      2.31704  19.9344      2.29954  49.527      162.641     2.89734     342.641     
1 1 1 9  14 32 o 33.2674 4.08474 7.06188      2.00841  5.79851      2.01436  20.8135     326.915     12.8449     146.915     
1 1 1 9  14 33 o 47.6747 3.38541 12.976       2.28975  12.7254      2.59705  52.6594     141.117     25.985      141.117     
1 1 1 9  14 34 o 37.7652 3.37576 8.91904      1.89619  7.37334      1.92138  28.5995     87.2544     5.85293     267.254     
1 1 1 9  14 35 o 27.0253 4.5056  4.96218      1.76084  3.79825      1.94726  10.2323     1.03782     22.9711     181.038     
1 1 1 9  14 36 o 16.5035 4.58326 1.8159       1.76658  -0.0406471   1.7768   2.40018     246.645     3.2788      66.6452     
1 1 1 9  14 37 o 52.6973 2.9176  16.7922      2.3507   14.5893      2.33747  43.7003     355.406     4.1785      175.406     
1 1 1 9  14 38 o 24.0171 4.84204 3.34143      1.81153  3.74876      1.94537  17.5039     132.519     2.25024     312.519     
1 1 1 9  14 39 f 23.682  4.9519  2.91572      2.10406  3.99003      1.82729  27.2508     15.2033     0           0           
1 1 1 9  14 40 o 40.4207 3.81042 9.69183      2.44764  9.66678      2.16445  36.429      2.35641     4.71664     2.35641     
1 1 1 9  14 41 o 64.2056 3.00465 25.5633      3.07947  21.8191      2.82896  51.8835     160.577     7.87893     340.577     
1 1 1 9  14 42 o 35.7485 4.04189 8.40609      2.08982  7.10801      2.18713  24.6664     303.736     10.319      123.736     
1 1 1 9  14 43 o 26.1044 5.07926 3.36067      2.1433   5.65886      2.16866  18.2129     103.93      3.90946     283.93      
1 1 1 9  14 44 o 15.3075 4.73555 -0.432763    1.90222  1.02369      2.33926  3.51924     289.468     1.59239     109.468     
1 1 1 9  14 45 o 13.4041 4.29343 -0.305601    1.93977  -0.495583    1.87573  2.00087     138.342     12.6972     318.342     
1 1 1 9  14 46 o 32.1574 5.58478 6.82164      2.89987  8.18277      2.62693  26.1192     308.033     0.849563    128.033     
1 1 1 9  14 47 o 16.1216 4.82648 2.06281      2.08061  -0.826773    2.34249  7.75973     100.44      4.40134     280.44      
1 1 1 9  14 48 o 31.7438 4.82034 9.74939      2.20757  4.62086      2.47803  25.2757     199.535     1.4081      19.5352     
1 1 1 9  14 49 o 13.9352 4.4813  -0.761316    1.90074  0.648075     2.28759  4.85549     20.9752     0.915694    20.9752     
1 1 1 9  14 50 o 14.9652 4.61556 -0.278052    1.9339   1.6847       2.13352  7.1794      160.311     1.86355     160.311     
1 1 1 9  14 51 o 18.6759 5.08706 3.39914      2.10661  1.72632      2.12833  13.6205     93.6981     4.91688     93.6981     
1 1 1 9  14 52 o 12.8658 4.25718 -0.432186    2.07865  -0.72014     2.1338   4.22554     102.352     2.29381     282.352     
1 1 1 9  14 53 o 12.9489 4.28898 -1.5449      2.18441  0.233432     2.15661  0.975326    52.0157     0.954507    232.016     
1 1 1 9  14 54 o 14.8612 4.6826  0.425606     2.07944  1.306        2.2571   1.00565     96.2312     0.982679    276.231     
1 1 1 9  14 55 o 21.5891 5.59147 4.19686      2.40851  4.94059      2.45932  15.8002     351.513     3.4588      351.513     
1 1 1 9  14 56 o 13.8167 4.51485 0.245232     2.3193   0.654887     2.19886  6.09071     341.797     0.303334    161.797     
1 1 1 9  15 0  o 213.233 2.07288 247.883      6.80352  247.883      6.80352  185.161     90          23.1353     270         
1 1 1 9  15 1  o 104.759 2.08753 59.6385      3.36132  60.1473      3.36706  82.9236     260.744     15.4194     80.7444     
1 1 1 9  15 2  o 148.825 2.06866 112.27       4.86894  129.595      4.56799  124.255     82.557      17.9824     262.557     
1 1 1 9  15 3  o 181.045 1.9646  176.162      5.47489  181.274      5.47854  219.455     301.562     115.887     301.562     
1 1 1 9  15 4  o 233.264 2.06529 313.11       7.43244  280.757      7.39031  281.48      46.3258     140.561     46.3258     
1 1 1 9  15 5  o 78.5559 2.3587  34.5906      2.83823  32.8768      2.85345  73.2518     264.773     28.8656     264.773     
1 1 1 9  15 6  o 74.1788 2.32586 30.1521      2.72609  30.0044      2.57228  60.2282     39.617      36.8195     39.617      
1 1 1 9  15 7  o 184.837 2.10942 187.009      6.00145  185.645      6.00651  191.819     199.949     50.0382     199.949     
1 1 1 9  15 8  o 55.5121 2.85349 16.327       2.50143  17.5219      2.33141  8.80624     214.133     110.158     214.133     
1 1 1 9  15 9  o 123.829 2.11469 79.6576      3.8898   87.7021      4.17664  124.563     217.006     30.6365     217.006     
1 1 1 9  15 10 o 129.749 2.01248 91.6103      4.02509  92.0025      4.01673  106.169     174.81      19.5123     354.81      
1 1 1 9  15 11 o 131.571 2.00501 95.9395      4.07239  92.8794      4.05163  116.352     179.563     1.93222     359.563     
1 1 1 9  15 12 o 55.0739 2.54545 17.4294      2.15398  15.8455      2.13671  12.5992     104.42      64.1351     284.42      
1 1 1 9  15 13 f 144.001 1.94149 109.109      4.29629  117.117      4.31047  158.965     283.541     0           0           
1 1 1 9  15 14 o 124.703 2.35829 86.3249      3.89155  83.5133      5.06127  114.505     1.80989     8.30354     1.80988     
1 1 1 9  15 15 o 161.908 2.14737 139.12       5.0679   146.991      5.63722  155.53      324.748     20.5622     324.748     
1 1 1 9  15 16 o 79.9482 2.321   32.8479      2.94553  37.1179      2.73126  36.7524     24.7491     64.6178     204.749     
1 1 1 9  15 17 o 141.935 1.94144 114.733      4.25164  105.163      4.22983  146.207     79.3092     39.7882     79.3092     
1 1 1 9  15 18 o 114.87  2.02202 74.5206      3.57798  69.571       3.56938  101.403     164.9       0.534918    344.9       
1 1 1 9  15 19 o 90.3067 2.21014 42.2612      3.06133  46.9728      3.07024  28.2864     32.0128     103.833     212.013     
1 1 1 9  15 20 o 47.2573 2.86031 12.3207      2.06712  12.3059      2.05582  28.0944     225.108     18.2361     45.1082     
1 1 1 9  15 21 o 81.8787 2.52179 34.5766      3.02648  38.9698      3.31969  78.3637     196.558     15.5657     196.558     
1 1 1 9  15 22 o 117.873 2.4288  83.2976      4.87969  69.1858      3.93636  106.144     130.747     2.66823     130.747     
1 1 1 9  15 23 o 100.228 2.37409 55.5828      3.96148  54.4977      3.33476  96.476      74.3888     17.2211     74.3888     
1 1 1 9  15 24 o 57.9145 2.67831 20.234       2.27909  16.7941      2.4363   43.7487     249.976     7.49562     69.9756     
1 1 1 9  15 25 o 27.7837 4.40438 3.8643       1.82499  5.07973      1.85912  4.77263     177.152     14.4183     357.152     
1 1 1 9  15 26 o 70.0751 2.60735 27.533       2.89047  26.5602      2.71649  56.5554     209.054     7.54908     29.054      
1 1 1 9  15 27 o 159.105 2.12522 137.535      5.20701  139.97       5.20645  141.727     277.076     1.59328     97.076      
1 1 1 9  15 28 o 29.0667 4.21657 5.2512       1.88452  4.55974      1.76499  8.34984     54.7455     26.7946     234.745     
1 1 1 9  15 29 o 57.2831 2.82345 19.0309      2.4674   17.4378      2.47802  45.9756     223.466     6.98572     43.4662     
1 1 1 9  15 30 o 119.1   2.1704  80.6674      3.81893  75.4889      4.11828  124.701     19.2407     37.3514     19.2407     
1 1 1 9  15 31 o 47.0938 2.88107 13.2463      2.06461  11.591       2.06471  40.5511     243.928     0.90081     243.928     
1 1 1 9  15 32 o 94.7421 2.19367 47.9693      3.18167  51.1607      3.20875  93.8595     146.518     20.2476     146.518     
1 1 1 9  15 33 o 76.8606 2.4295  31.6193      2.94523  33.9799      2.77914  72.086      164.921     9.2361      164.921     
1 1 1 9  15 34 o 20.3951 4.89533 1.47379      1.91615  3.05033      1.8551   1.96134     277.88      26.3209     97.8799     
1 1 1 9  15 35 o 30.5917 4.55955 6.07022      1.91703  5.18592      2.23773  19.1177     204.066     11.391      24.0664     
1 1 1 9  15 36 o 73.241  2.60296 30.1424      2.87688  29.8995      2.9743   54.2661     155.899     20.1164     335.899     
1 1 1 9  15 37 o 50.0393 3.52189 13.7152      2.5073   15.2194      2.8491   42.2618     183.347     2.22445     3.34692     
1 1 1 9  15 38 o 47.6855 3.31951 13.3732      2.49747  12.8918      2.31309  42.4461     98.932      3.03469     98.932      
1 1 1 9  15 39 o 38.8182 3.58636 8.75419      2.09148  8.9894       2.09324  31.8675     272.379     1.39066     92.3792     
1 1 1 9  15 40 o 29.3001 4.5874  5.67036      2.05051  5.09413      1.98106  17.9523     108.069     11.5039     288.069     
1 1 1 9  15 41 o 23.9988 5.12334 3.78816      2.00189  3.65801      2.10458  15.2683     98.2461     4.82415     278.246     
1 1 1 9  15 42 o 24.0276 5.49038 3.6728       2.32606  4.07434      2.30911  7.84532     287.508     22.3252     107.508     
1 1 1 9  15 43 o 36.1153 4.47449 7.4901       2.47595  9.20519      2.28083  32.5681     60.31       5.82215     60.31       
1 1 1 9  15 44 o 20.2157 5.38071 3.42596      2.43817  1.87089      2.15073  13.5686     43.6406     1.22278     223.641     
1 1 1 9  15 45 o 17.9606 5.05422 -0.159322    2.56238  2.86983      2.04375  9.12912     98.9629     8.13374     278.963     
1 1 1 9  15 46 o 15.3314 4.7884  0.279034     2.27828  0.536281     2.1622   6.28902     235.818     5.67685     55.8177     
1 1 1 9  15 47 o 13.1769 4.24879 -0.231185    1.86301  -0.45899     1.95476  3.63235     174.637     3.89028     354.637     
1 1 1 9  15 48 o 22.172  5.23514 3.80388      2.0529   3.70699      2.14609  16.3961     347.763     1.52099     167.763     
1 1 1 9  15 49 o 23.2216 4.81348 6.47117      2.1278   1.4937       2.11177  16.8194     231.645     2.92052     51.6448     
1 1 1 9  15 50 o 15.0563 4.65055 1.20801      2.02929  0.539488     2.06652  7.70389     159.527     1.62994     339.527     
1 1 1 9  15 51 o 15.6651 4.83213 1.61316      2.21065  0.801968     2.19753  8.45849     268.967     2.05576     88.9668     
1 1 1 9  15 52 o 17.4357 4.95944 3.46872      2.12248  0.496754     2.27271  9.57481     75.8708     1.0232      255.871     
1 1 1 9  15 53 o 21.7306 5.41203 5.59384      2.32623  2.4924       2.56593  13.4939     200.498     1.84438     200.498     
1 1 1 9  15 54 o 12.2865 4.16408 -0.758667    2.1069   -1.51493     2.43523  1.28266     188.862     7.77769     8.86204     
1 1 1 9  15 55 o 13.5849 4.40567 -2.09012     2.09894  2.14903      2.27036  5.56158     352.245     1.43688     172.245     
1 1 1 9  16 0  o 8.37377 3.96771 -0.544085    1.42784  -0.544085    1.42784  30.5596     90          63.3709     90          
1 1 1 9  16 1  o 79.8434 2.27313 32.6358      2.78781  37.1101      2.78102  75.6088     278.67      21.9033     278.67      
1 1 1 9  16 2  o 61.7574 2.4783  20.6202      2.35234  21.1483      2.34156  47.7043     39.3714     5.40767     39.3714     
1 1 1 9  16 3  o 255.195 2.00967 352.974      8.15925  357.334      7.62295  269.988     134.073     76.9174     134.073     
1 1 1 9  16 4  o 121.971 2.21331 74.2147      4.12836  88.4759      4.15981  85.6249     243.653     45.574      63.6534     
1 1 1 9  16 5  o 54.9203 2.74908 18.4513      2.31141  14.761       2.28756  32.3158     211.811     15.4864     31.8108     
1 1 1 9  16 6  f 254.282 1.94089 358.807      7.60935  346.401      7.58897  180.441     304.87      0           0           
1 1 1 9  16 7  o 61.6039 2.66926 21.0696      2.53264  20.5328      2.50728  44.0389     90.515      5.44134     270.515     
1 1 1 9  16 8  o 79.5985 2.45075 31.3645      2.98585  38.0965      2.98566  62.8702     168.122     7.17051     348.122     
1 1 1 9  16 9  o 72.8973 2.28568 30.8249      2.5656   27.3359      2.54709  29.2054     326.172     65.6198     146.172     
1 1 1 9  16 10 o 55.3122 2.90882 16.6942      2.14533  16.9297      2.73913  15.2751     340.586     58.1096     160.586     
1 1 1 9  16 11 o 112.847 2.29803 76.3223      3.59061  63.0702      4.26716  108.097     265.904     19.9043     265.904     
1 1 1 9  16 12 f 23.8993 3.98066 3.49186      1.4497   3.02932      1.43413  5.2369      205.67      0           0           
1 1 1 9  16 13 o 221.111 2.28944 270.754      7.86007  263.048      7.73053  216.712     85.1375     34.5849     85.1375     
1 1 1 9  16 14 o 68.6604 2.59986 27.5346      2.36994  24.1817      3.01453  24.5766     359.81      67.9107     179.81      
1 1 1 9  16 15 o 181.258 2.50077 186.034      6.62842  173.08       7.28532  176.976     89.1641     28.4526     89.1641     
1 1 1 9  16 16 o 47.2363 2.81587 14.2617      2.03394  10.47        1.99011  32.7124     326.886     3.85163     326.886     
1 1 1 9  16 17 o 16.9739 4.03756 0.607282     1.30215  2.17087      1.31709  17.2217     346.428     46.838      346.428     
1 1 1 9  16 18 o 55.796  2.77949 22.7         2.73194  12.3401      2.01123  29.6251     17.7856     34.0331     197.786     
1 1 1 9  16 19 f 114.663 2.59499 76.6323      4.8557   67.5757      4.30082  73.2344     205.778     0           0           
1 1 1 9  16 20 o 16.4211 4.60733 -2.07445     2.01234  2.07797      1.94733  4.79845     249.531     13.3003     249.531     
1 1 1 9  16 21 o 17.0423 4.31714 1.95633      1.4472   0.577496     1.53314  15.9275     241.665     43.9669     241.665     
1 1 1 9  16 22 o 21.3683 4.47089 1.71169      1.53215  3.43027      1.69208  9.02254     133.497     36.5614     133.497     
1 1 1 9  16 23 f 56.7166 2.8969  20.2376      2.3657   15.4745      2.58493  41.0755     307.96      0           0           
1 1 1 9  16 24 o 28.5625 4.23711 5.20591      1.8219   4.22787      1.78821  1.57059     197.155     0.615839    17.1553     
1 1 1 9  16 25 o 74.2015 2.39981 30.0389      2.73181  30.5524      2.73771  90.3123     240.96      57.4035     240.96      
1 1 1 9  16 26 o 11.1122 3.60703 -0.792697    1.42709  -1.17489     1.38633  5.94489     195.516     15.1305     195.516     
1 1 1 9  16 27 o 70.0387 2.43403 26.382       2.55748  27.7734      2.67713  62.1861     249.463     2.55274     249.463     
1 1 1 9  16 28 o 64.846  2.66147 22.9458      2.64101  23.6914      2.65101  53.5796     37.2988     6.02889     217.299     
1 1 1 9  16 29 o 50.6881 2.88156 14.1287      2.13349  14.5764      2.32506  40.6929     153.835     5.54016     333.835     
1 1 1 9  16 30 o 45.8969 2.94513 12.1886      2.04735  11.4491      2.06771  12.4722     335.037     54.5112     155.037     
1 1 1 9  16 31 o 34.023  3.7365  6.1277       1.9      7.27109      1.87456  16.7186     25.1341     23.0323     205.134     
1 1 1 9  16 32 o 58.1608 2.83836 18.2888      2.671    19.6544      2.35443  49.1039     2.566       2.30946     182.566     
1 1 1 9  16 33 o 47.9236 3.06212 13.8477      2.26945  12.1565      2.19754  47.8212     163.371     14.941      163.371     
1 1 1 9  16 34 o 24.6822 4.56667 2.94113      1.74692  4.45731      1.80338  7.11222     84.8612     25.3404     264.861     
1 1 1 9  16 35 o 43.2495 3.43666 9.39573      2.29124  12.2259      2.13553  38.4912     41.2403     3.35422     41.2403     
1 1 1 9  16 36 o 91.7604 2.47594 45.2158      3.47553  49.1267      3.50508  86.2124     341.726     11.7631     341.726     
1 1 1 9  16 37 o 69.1625 2.9568  25.7591      2.81459  28.7905      3.4472   61.4003     28.0038     2.79221     28.0039     
1 1 1 9  16 38 o 70.0188 2.90979 28.0964      2.84433  27.8941      3.37258  59.4507     5.62404     2.28603     185.624     
1 1 1 9  16 39 o 42.4702 3.74572 11.6403      2.36239  9.82503      2.4057   36.0556     179.553     0.984405    179.553     
1 1 1 9  16 40 o 35.4124 4.68354 7.87446      2.75989  7.91857      2.12455  30.5231     47.811      3.6952      47.811      
1 1 1 9  16 41 o 37.3086 5.01377 9.75295      2.53466  8.38461      2.97551  36.3599     128.36      12.4358     128.36      
1 1 1 9  16 42 o 16.734  4.82527 1.77143      1.90165  0.511898     2.10533  7.37667     165.73      4.2007      345.73      
1 1 1 9  16 43 o 20.7371 5.2721  1.96654      2.16414  3.73568      2.22078  15.8566     341.566     5.2814      341.566     
1 1 1 9  16 44 o 20.3374 5.07394 4.33528      2.1138   0.608143     2.33588  11.6895     220.197     7.49847     40.1968     
1 1 1 9  16 45 o 29.8705 5.21749 6.54287      2.3645   6.24542      2.40849  28.4422     171.431     10.4292     171.431     
1 1 1 9  16 46 o 25.8944 5.18013 5.18558      2.13735  4.70386      2.18604  22.8368     233.723     6.34458     233.723     
1 1 1 9  16 47 o 18.8446 5.09657 0.565811     2.22015  3.96306      2.24012  14.8638     327.167     4.21963     327.167     
1 1 1 9  16 48 o 19.5419 5.26831 3.01885      2.31625  2.78855      2.08592  11.6146     338.368     7.27251     338.368     
1 1 1 9  16 49 o 18.9211 5.17173 3.70913      2.24974  1.65744      2.13868  12.4506     228.008     6.13175     228.008     
1 1 1 9  16 50 o 14.3655 4.57992 0.657794     2.16305  0.283485     2.12146  5.83763     276.207     0.185311    96.2075     
1 1 1 9  16 51 o 13.4135 4.37082 -1.00374     2.20307  0.586327     2.05138  3.26524     115.891     4.47789     295.891     
1 1 1 9  16 52 o 15.4994 4.79285 0.861298     2.2325   1.56703      2.13467  1.88855     230.642     1.52184     50.6424     
1 1 1 9  16 53 o 12.2286 4.10417 -1.02073     2.0678   -0.543815    2.10414  0.948961    135.808     2.62595     315.808     
1 1 1 9  16 54 o 14.3771 4.61576 0.0411789    2.31363  1.59526      2.1992   6.6386      341.79      2.41955     161.79      
1 1 1 9  16 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  17 0  o 84.5471 2.2392  39.1257      2.90599  39.1257      2.90599  72.9711     270         7.63452     90          
1 1 1 9  17 1  o 267.98  1.93573 399.651      7.99859  383.738      7.97537  266.245     305.799     49.0088     305.799     
1 1 1 9  17 2  o 232.684 1.9484  292.089      6.97675  298.501      6.98523  246.727     259.662     75.2405     259.662     
1 1 1 9  17 3  o 161.144 2.01338 146.127      5.00283  137.231      4.98612  137.035     339.049     13.2976     159.049     
1 1 1 9  17 4  o 54.3996 2.79359 15.9562      2.33367  16.5575      2.31367  29.8338     268.93      19.9228     88.9299     
1 1 1 9  17 5  f 107.472 2.3416  63.6141      3.70397  62.6069      4.02749  102.225     357.786     0           0           
1 1 1 9  17 6  o 39.2209 3.61594 8.57578      1.86501  8.56028      2.3614   12.521      120.353     82.8422     120.353     
1 1 1 9  17 7  o 38.4654 3.8405  7.95901      2.03254  8.59016      2.38653  6.23862     306.731     7.42277     126.731     
1 1 1 9  17 8  o 192.263 2.06237 208.46       5.89444  195.032      6.29243  216.808     160.045     90.7003     160.045     
1 1 1 9  17 9  o 112.205 2.08359 65.3408      3.5967   72.1972      3.59281  107.667     17.0506     20.1987     17.0506     
1 1 1 9  17 10 o 132.142 2.08274 98.9133      4.42445  91.7359      4.05293  129.762     190.031     26.6012     190.031     
1 1 1 9  17 11 o 119.313 1.99915 74.6145      3.80408  80.8575      3.51668  67.4287     74.3873     76.9231     254.387     
1 1 1 9  17 12 o 16.3552 3.78535 1.64742      1.17745  1.18343      1.02426  27.6051     147.489     68.7506     147.489     
1 1 1 9  17 13 o 110.597 2.55771 66.3773      4.36247  67.5198      4.33725  133.912     341.84      77.3036     341.84      
1 1 1 9  17 14 o 204.526 2.3268  226.058      7.32441  231.142      7.3314   189.094     87.6927     11.0983     87.6927     
1 1 1 9  17 15 o 114.759 2.55034 76.7272      4.51661  67.647       4.47482  109.172     287.604     16.3237     287.604     
1 1 1 9  17 16 o 56.0192 3.31881 18.0504      2.82494  16.6693      2.84353  14.0093     286.807     66.7896     106.807     
1 1 1 9  17 17 o 56.2567 3.37871 18.6384      2.87306  16.4425      2.91256  30.0823     352.436     33.0616     172.436     
1 1 1 9  17 18 o 40.6459 4.93428 13.4415      2.91792  6.06784      2.86381  13.3309     117.719     34.7626     297.719     
1 1 1 9  17 19 o 35.1483 5.21574 8.11524      2.73675  6.24257      2.73276  10.0522     276.383     74.8983     276.383     
1 1 1 9  17 20 o 26.7098 5.23868 4.5696       2.23354  3.6817       2.24237  1.78021     75.681      20.2843     255.681     
1 1 1 9  17 21 o 80.5523 2.91414 35.3293      3.43289  36.2579      3.76828  73.8641     7.03905     9.52445     7.03905     
1 1 1 9  17 22 o 46.4043 3.92177 11.4236      2.96508  12.856       2.44686  41.9121     292.712     19.6511     292.712     
1 1 1 9  17 23 o 56.8147 2.90677 16.4116      2.45156  19.4398      2.59623  59.3072     247.56      27.1135     247.56      
1 1 1 9  17 24 o 27.8259 4.13197 4.63336      1.6284   4.34785      1.7981   13.1739     119.423     7.55183     299.423     
1 1 1 9  17 25 o 64.6597 2.45518 22.5375      2.42158  23.6554      2.44916  35.4594     30.1086     41.703      210.109     
1 1 1 9  17 26 o 105.995 2.06122 67.4608      3.37024  56.338       3.33424  78.1609     172.809     31.0792     352.809     
1 1 1 9  17 27 o 42.9713 3.20498 10.5766      2.12663  10.2333      2.05122  31.2891     64.8524     9.69451     244.852     
1 1 1 9  17 28 o 57.203  2.89693 17.9368      2.57292  18.6406      2.49363  48.0975     166.596     2.20794     346.596     
1 1 1 9  17 29 o 35.616  3.61494 7.37755      1.96711  7.20021      1.8844   24.5826     288.462     9.11352     108.462     
1 1 1 9  17 30 o 27.27   4.41142 4.09742      1.76708  4.80547      1.86033  17.5461     286.079     5.82786     106.079     
1 1 1 9  17 31 o 63.0941 2.55485 21.4693      2.46     22.9532      2.4822   58.3213     117.095     7.8899      117.095     
1 1 1 9  17 32 o 30.4777 4.09523 5.24146      1.83974  5.7688       1.86325  28.1866     72.1109     11.155      72.1109     
1 1 1 9  17 33 o 38.391  3.49308 8.26579      2.01362  8.76445      2.01923  39.7239     248.379     16.5538     248.379     
1 1 1 9  17 34 o 16.9233 4.6582  1.52872      1.77821  0.918816     1.72612  0.069824    106.574     26.0576     106.574     
1 1 1 9  17 35 o 14.3149 4.38201 0.108239     1.68011  0.0451381    1.87391  3.00072     49.6527     8.78681     229.653     
1 1 1 9  17 36 o 87.5351 2.3406  44.7112      3.14397  41.2364      3.15018  89.5735     46.8283     27.5891     46.8283     
1 1 1 9  17 37 o 29.7501 4.76575 4.65101      2.20819  6.56504      2.08202  18.1598     110.703     11.4831     290.703     
1 1 1 9  17 38 f 13.7641 4.34665 -0.943207    1.85105  0.131934     1.93091  12.4002     247.498     0           0           
1 1 1 9  17 39 o 21.1318 5.34777 2.69601      2.13181  2.85022      2.27798  12.203      89.1078     3.51384     269.108     
1 1 1 9  17 40 o 16.4769 5.01991 0.969748     2.39841  0.32116      2.22468  2.76174     277.027     16.7715     97.027      
1 1 1 9  17 41 o 13.6239 4.39868 -0.475546    2.11042  -0.708799    1.99328  0.572354    100.28      0.431565    280.28      
1 1 1 9  17 42 o 17.4839 5.01004 -0.545995    2.09964  3.12797      2.37504  10.3013     85.6908     2.50367     85.6908     
1 1 1 9  17 43 o 16.6258 4.87421 0.595        2.07119  1.83326      2.06958  2.22652     38.3244     20.4725     218.324     
1 1 1 9  17 44 o 17.5927 5.11006 1.16456      2.21711  2.17388      2.25082  9.53044     298.679     1.59494     118.679     
1 1 1 9  17 45 o 19.2374 5.18922 3.27427      2.06675  1.59921      2.37723  11.9815     156.788     3.40835     336.788     
1 1 1 9  17 46 o 18.5073 4.84365 3.99873      2.04101  0.0347432    2.1169   9.18517     129.544     10.0002     309.544     
1 1 1 9  17 47 o 15.643  4.73974 0.94146      2.01178  1.34587      2.06827  7.1049      132.172     7.47123     312.172     
1 1 1 9  17 48 o 16.6218 4.88498 0.379664     2.10827  2.73921      2.16308  8.30865     26.8063     6.26165     206.806     
1 1 1 9  17 49 o 12.1002 4.03915 0.221166     2.00237  -2.82602     2.06435  2.88404     46.4136     7.09923     226.414     
1 1 1 9  17 50 o 17.8042 5.0304  3.45532      2.15867  1.12629      2.19146  8.96463     359.979     1.26636     359.979     
1 1 1 9  17 51 o 13.2622 4.34981 0.805917     2.15005  -1.73217     2.20621  0.855288    316.408     4.7947      136.408     
1 1 1 9  17 52 o 16.4011 5.00263 2.80328      2.4157   1.1102       2.2153   6.99789     179.254     2.29912     359.254     
1 1 1 9  17 53 o 13.4669 4.37728 -1.94715     2.17147  1.85099      2.19289  5.28548     292.72      1.88023     112.72      
1 1 1 9  17 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  18 0  o 102.318 2.18881 57.2298      3.4415   57.2298      3.4415   56.4061     90          71.8005     270         
1 1 1 9  18 1  o 64.7022 2.75606 20.6032      2.49129  25.4708      2.98219  45.8571     268.756     13.6146     88.7556     
1 1 1 9  18 2  o 239.593 2.14733 324.082      7.28959  302.804      8.46437  229.123     9.12821     29.1682     9.1282      
1 1 1 9  18 3  o 24.6377 4.55407 3.63292      1.67434  3.29011      1.82572  21.5141     113.563     72.2751     113.563     
1 1 1 9  18 4  o 81.7091 2.436   39.3082      3.05646  33.8736      3.0474   76.11       115.783     15.215      115.783     
1 1 1 9  18 5  o 170.391 2.08616 155.883      5.64069  161.107      5.29441  172.48      83.7682     42.2799     83.7682     
1 1 1 9  18 6  o 179.827 2.18463 176.782      6.48832  176.384      5.57703  180.229     316.436     40.3834     316.436     
1 1 1 9  18 7  o 172.021 2.1523  157.896      5.70266  165.319      5.69755  166.353     99.1652     26.6191     99.1652     
1 1 1 9  18 8  o 69.8001 2.42879 26.7203      2.49117  26.6665      2.70891  55.2104     160.97      6.89619     340.97      
1 1 1 9  18 9  o 82.7302 2.1833  37.3715      2.78058  37.5037      2.77248  90.5839     246.667     42.7218     246.667     
1 1 1 9  18 10 o 63.9093 2.89314 22.7902      2.99638  22.1368      2.66218  54.1232     16.1441     3.35164     16.1441     
1 1 1 9  18 11 o 134.905 2.46514 105.601      5.13728  93.7366      5.08869  126.685     150.112     15.2377     150.112     
1 1 1 9  18 12 o 28.0931 5.01156 3.34986      2.17701  5.77707      2.23132  2.57399     230.708     17.288      50.7077     
1 1 1 9  18 13 o 164.629 2.38039 147.436      6.03201  149.134      6.03698  180.766     63.1327     70.4552     63.1327     
1 1 1 9  18 14 o 119.551 2.49529 75.8611      4.58254  80.8359      4.59152  97.0727     317.466     15.8982     137.466     
1 1 1 9  18 15 o 69.0987 3.00364 21.6738      3.11129  31.4254      3.17322  28.3708     345.654     61.421      165.654     
1 1 1 9  18 16 o 121.33  2.99173 80.6887      5.9061   81.345       5.23154  96.6156     338.671     19.9231     158.671     
1 1 1 9  18 17 o 25.1201 5.64181 3.25586      2.45076  3.78961      2.46056  0.662728    184.477     22.653      184.477     
1 1 1 9  18 18 o 68.1615 3.43869 32.1863      3.55528  20.0977      3.47166  59.4622     252.736     4.74304     252.736     
1 1 1 9  18 19 o 63.9026 3.0531  21.8064      2.9779   23.4367      2.99287  66.825      170.995     29.9171     170.995     
1 1 1 9  18 20 o 37.2948 4.67633 8.79134      2.59491  7.30253      2.57125  23.2175     96.6971     10.1506     96.6971     
1 1 1 9  18 21 o 47.4101 3.92297 10.107       2.72502  15.5951      2.77955  31.9607     87.5388     14.0143     267.539     
1 1 1 9  18 22 o 96.6362 2.73731 54.7481      4.26797  48.5994      3.86546  87.1059     118.905     5.26556     118.905     
1 1 1 9  18 23 o 44.3741 3.70109 10.4947      2.47127  11.8401      2.48104  30.1072     5.32329     13.9274     185.323     
1 1 1 9  18 24 o 59.71   3.55684 18.6202      3.31774  21.6114      3.12545  46.7821     256.205     9.21427     76.2051     
1 1 1 9  18 25 o 36.1015 4.7847  7.93712      2.6387   7.45687      2.48631  32.9906     264.693     10.5842     264.693     
1 1 1 9  18 26 o 29.436  5.2557  4.2584       2.59818  6.1729       2.24129  12.0466     319.095     22.6197     139.095     
1 1 1 9  18 27 o 19.4067 5.1991  2.09483      1.74672  1.03091      2.66645  5.68602     236.25      9.20284     56.2497     
1 1 1 9  18 28 o 56.3509 2.82827 16.8423      2.58321  18.7803      2.25337  50.9598     318.676     5.88535     318.676     
1 1 1 9  18 29 o 17.3711 4.41391 0.495221     1.57129  2.3254       1.58489  1.71493     4.37808     18.13       184.378     
1 1 1 9  18 30 o 14.6528 4.27165 0.201267     1.55741  0.787744     1.57426  1.0896      41.0677     9.18365     221.068     
1 1 1 9  18 31 o 13.227  4.17448 -0.427791    1.59252  -0.519254    1.86278  0.0271367   139.107     12.4536     319.106     
1 1 1 9  18 32 o 66.8675 2.66525 29.9209      2.63343  20.7236      2.73493  49.2835     341.506     17.2219     161.506     
1 1 1 9  18 33 o 57.6286 2.76618 18.8622      2.4423   18.7279      2.4381   44.739      323.309     9.55067     143.309     
1 1 1 9  18 34 o 15.5009 4.53349 0.0239644    1.85229  1.16091      1.73537  4.06475     316.021     4.4361      136.021     
1 1 1 9  18 35 o 43.2872 3.4623  13.7205      2.20299  8.50068      2.19843  33.892      166.388     4.65049     346.388     
1 1 1 9  18 36 o 36.3836 3.93013 9.02043      2.09319  6.95963      2.13253  34.9607     149.237     11.8529     149.237     
1 1 1 9  18 37 o 20.7458 4.97041 3.5511       1.93436  1.60875      1.99436  10.0867     205.674     8.3324      25.6736     
1 1 1 9  18 38 o 15.7182 4.71628 -0.812808    2.08625  1.55051      2.04874  0.614543    291.161     19.7624     111.161     
1 1 1 9  18 39 o 22.5145 5.47128 2.72243      2.51646  4.03613      2.18521  7.64899     24.1886     19.4639     204.189     
1 1 1 9  18 40 o 33.0514 4.8373  7.42594      2.45852  7.17989      2.30276  32.1695     309.048     11.7947     309.048     
1 1 1 9  18 41 o 35.1993 5.21149 9.1328       2.69189  8.11636      2.77608  29.2924     147.849     0.851284    147.849     
1 1 1 9  18 42 o 13.4495 4.43543 -0.784199    2.34558  -1.20944     2.15287  2.08295     199.711     12.4955     19.7109     
1 1 1 9  18 43 o 17.2231 5.10852 2.32996      2.41729  0.606464     2.19831  8.66553     112.558     3.66392     292.558     
1 1 1 9  18 44 o 16.247  4.86671 1.86536      2.01899  0.292781     2.32403  6.81638     175.797     9.21635     355.797     
1 1 1 9  18 45 o 13.2568 4.30538 -0.322564    1.99432  -0.335793    2.01736  4.10975     272.226     0.383545    272.226     
1 1 1 9  18 46 o 14.1625 4.45892 -0.811491    1.99611  1.28767      2.02704  6.45074     318.476     2.04608     138.476     
1 1 1 9  18 47 o 17.6354 4.95494 0.739088     2.10377  3.35891      2.12764  10.0006     186.929     4.40181     6.92868     
1 1 1 9  18 48 o 24.4772 5.40711 5.9913       2.2897   4.15622      2.3361   18.4233     228.753     0.371158    48.7534     
1 1 1 9  18 49 o 13.9419 4.49615 0.61746      2.102    -0.201657    2.19489  1.56408     52.5206     1.32831     232.521     
1 1 1 9  18 50 o 16.9744 5.0233  1.36125      2.1811   2.7133       2.2621   5.93744     311.046     4.01575     131.046     
1 1 1 9  18 51 o 14.8165 4.64847 -0.590501    2.17835  2.40271      2.22231  4.25132     271.098     1.55661     91.0985     
1 1 1 9  18 52 o 13.6967 4.46134 0.987184     2.15166  -0.198181    2.23882  3.89699     19.9705     0.388911    19.9705     
1 1 1 9  19 0  o 405.72  1.94176 897.62       12.1302  897.62       12.1302  435.268     90          144.597     90          
1 1 1 9  19 1  o 78.133  2.34985 31.6666      2.80613  35.2583      2.83039  71.92       68.4405     12.5055     68.4405     
1 1 1 9  19 2  o 30.0586 3.97128 5.15777      1.80235  5.11317      1.73868  3.07734     44.0009     46.3778     44.001      
1 1 1 9  19 3  o 91.2901 2.39608 45.6553      3.42047  45.6258      3.30348  44.7411     229.361     69.491      49.3613     
1 1 1 9  19 4  o 41.7459 3.40391 11.0519      2.27732  8.43633      2.0149   6.07008     199.048     2.70932     199.048     
1 1 1 9  19 5  o 222.716 2.03645 268.978      7.20167  272.983      6.75588  219.022     223.858     42.6156     223.858     
1 1 1 9  19 6  o 80.6006 3.00949 30.5949      4.01047  41.2699      3.19081  77.4898     336.621     19.7325     336.621     
1 1 1 9  19 7  o 96.7877 2.49255 48.7531      3.83753  54.0072      3.55161  89.3583     256.803     12.2912     256.803     
1 1 1 9  19 8  o 83.7818 2.22464 41.3888      2.85519  35.6029      2.86177  86.7549     35.7397     33.4339     35.7397     
1 1 1 9  19 9  o 44.1991 3.16661 11.8283      2.47281  9.90183      1.76596  29.8423     352.432     4.77619     352.432     
1 1 1 9  19 10 o 87.9202 2.69302 44.6916      3.64747  40.2989      3.62099  91.0999     24.7513     34.3868     24.7513     
1 1 1 9  19 11 o 43.0809 3.78784 10.6709      2.4529   10.146       2.46264  17.4322     55.5263     30.7692     235.526     
1 1 1 9  19 12 o 178.02  2.35144 183.625      6.47781  163.854      6.40252  195.973     68.7642     78.7063     68.7642     
1 1 1 9  19 13 o 42.6584 3.9495  8.9062       2.50049  11.6873      2.52164  25.7406     304.325     10.9689     124.325     
1 1 1 9  19 14 o 82.4142 2.75687 39.4049      3.50825  35.465       3.46397  79.0456     51.4296     18.2928     51.4296     
1 1 1 9  19 15 o 109.615 3.02734 62.9798      5.35256  69.7216      4.79082  102.993     174.229     15.4819     174.229     
1 1 1 9  19 16 o 19.2902 5.19108 -0.0952252   2.25125  2.63314      2.24885  3.59136     304.836     19.308      304.836     
1 1 1 9  19 17 o 85.1406 2.83418 39.2891      3.86462  40.8102      3.53013  81.2898     179.871     16.3471     179.871     
1 1 1 9  19 18 o 62.8817 3.20891 22.5481      2.94044  21.4796      3.21599  50.3796     193.81      5.66172     13.8098     
1 1 1 9  19 19 o 18.3435 5.0529  0.123047     2.13904  2.09771      2.10828  0.0237319   296.742     10.3798     296.742     
1 1 1 9  19 20 f 31.9367 5.24362 7.59146      2.62254  4.64976      2.48657  46.8804     166.671     0           0           
1 1 1 9  19 21 o 40.3368 4.12964 8.79189      2.54453  9.93618      2.41589  31.21       196.36      3.49223     16.3595     
1 1 1 9  19 22 o 87.787  2.81419 43.3364      3.93738  42.3265      3.64856  91.8212     85.3347     31.5812     85.3347     
1 1 1 9  19 23 o 74.5548 3.10311 30.8964      3.55468  31.3005      3.53866  57.683      137.258     13.6595     317.258     
1 1 1 9  19 24 o 62.3241 3.34978 24.1291      3.17905  19.7901      3.17532  51.2895     108.568     4.1404      288.568     
1 1 1 9  19 25 o 35.4271 4.4763  8.02554      2.36212  6.82651      2.33719  32.9148     87.5391     11.8821     87.5391     
1 1 1 9  19 26 f 39.9833 4.84027 8.76876      2.87105  10.3639      2.86248  34.0251     118.81      0           0           
1 1 1 9  19 27 o 32.9242 5.43936 7.30854      2.34319  6.02276      3.10604  25.0254     25.5126     1.35672     205.513     
1 1 1 9  19 28 o 18.4598 5.05011 -0.489749    2.00811  2.93148      2.3494   6.52922     325.373     6.41557     145.373     
1 1 1 9  19 29 o 81.6747 2.7975  38.4193      3.50968  36.5401      3.50453  77.3624     81.3048     13.821      81.3048     
1 1 1 9  19 30 o 18.3899 5.04756 2.07541      2.02731  0.823826     2.13184  6.61239     18.6696     13.3982     198.67      
1 1 1 9  19 31 o 40.4343 3.48527 10.2445      2.02606  8.79444      2.18901  29.5321     9.50404     8.82017     189.504     
1 1 1 9  19 32 o 13.0146 4.1336  -0.609259    1.60751  -0.387036    1.8359   0.923628    320.336     6.78599     140.336     
1 1 1 9  19 33 o 24.7329 4.63078 5.19088      1.85339  2.50215      1.87917  13.1998     67.9697     11.3821     247.97      
1 1 1 9  19 34 o 23.3493 4.80795 4.46965      1.88869  2.39825      1.8965   8.14937     70.1985     19.495      250.199     
1 1 1 9  19 35 o 17.2948 4.64894 -0.0692647   1.80886  2.60719      1.86086  2.74882     148.447     17.5362     328.446     
1 1 1 9  19 36 f 15.1968 4.48205 -1.29646     1.87776  1.78087      1.88745  16.7282     161.477     0           0           
1 1 1 9  19 37 o 47.3021 3.76743 13.9175      2.69456  13.2678      2.6966   48.6192     198.656     19.2988     198.656     
1 1 1 9  19 38 o 19.447  5.45896 2.35752      2.19044  1.95478      2.73591  9.61993     85.0471     8.00725     265.047     
1 1 1 9  19 39 o 13.4883 4.29923 -0.480713    1.89172  -0.0511452   1.88496  3.82451     55.8907     1.92594     235.891     
1 1 1 9  19 40 o 14.6124 4.65515 0.276723     2.27457  -0.466156    2.14349  5.8492      205.699     3.72765     25.6991     
1 1 1 9  19 41 o 40.6656 4.6899  12.5754      2.9083   9.80247      2.74674  33.9562     325.809     1.28123     325.809     
1 1 1 9  19 42 o 24.5942 5.73811 6.16534      2.64088  3.37133      2.58463  19.8451     286.328     3.52336     286.328     
1 1 1 9  19 43 f 16.9815 5.20866 2.23679      2.40173  -0.099378    2.86998  14.8529     347.525     0           0           
1 1 1 9  19 44 o 14.3383 4.57058 -1.16871     2.15965  1.22373      2.20874  7.03216     94.9917     2.37616     274.992     
1 1 1 9  19 45 o 17.284  5.03437 1.71166      2.21065  2.21053      2.12879  9.16447     331.028     5.4173      151.028     
1 1 1 9  19 46 o 20.1028 5.29844 1.96942      2.18363  4.58707      2.36255  12.6321     270.47      3.7976      90.47       
1 1 1 9  19 47 o 12.413  4.14976 -0.666804    2.07074  -1.16504     2.1206   2.79927     240.878     4.03224     60.8785     
1 1 1 9  19 48 o 14.2773 4.5529  0.59174      2.10341  0.397478     2.13386  1.74842     295.18      11.9303     115.18      
1 1 1 9  19 49 o 14.3478 4.57687 -1.09825     2.26391  1.69341      2.19053  0.643455    50.0906     0.677825    230.091     
1 1 1 9  19 50 o 18.1764 5.17106 4.09014      2.27278  1.74784      2.3595   10.5946     142.819     0.35956     142.819     
1 1 1 9  19 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  20 0  o 203.025 1.99406 225.022      6.23145  225.022      6.23145  228.679     90          97.2864     90          
1 1 1 9  20 1  f 22.2851 4.70114 3.64568      1.95363  2.02147      1.55384  47.4051     126.009     0           0           
1 1 1 9  20 2  o 15.4121 4.39308 0.713066     1.81901  0.562783     1.38213  21.0748     147.991     53.6838     147.991     
1 1 1 9  20 3  o 142.621 2.18289 106.08       4.78284  116.695      4.79776  149.259     231.674     50.3471     231.674     
1 1 1 9  20 4  o 63.3319 2.53337 21.0765      2.4514   23.0714      2.4664   35.5024     249.79      34.5591     69.7899     
1 1 1 9  20 5  o 70.4294 2.45868 27.4887      2.7694   27.0269      2.54393  37.5199     18.9143     44.2048     198.914     
1 1 1 9  20 6  o 78.0544 2.45217 32.2996      2.93318  34.6564      2.94443  63.9418     347.565     3.85316     167.565     
1 1 1 9  20 7  o 113.448 2.20428 70.6655      3.70355  70.4029      3.98493  117.521     358.802     39.5664     358.802     
1 1 1 9  20 8  o 70.0967 2.81158 28.6349      2.67925  25.6003      3.28804  50.1052     217.151     17.755      37.1507     
1 1 1 9  20 9  o 151.276 2.70598 121.187      6.89581  130.516      5.57343  159.099     248.94      54.2531     248.94      
1 1 1 9  20 10 o 219.608 2.43378 266.969      8.59664  262.385      7.85285  235.985     252.553     86.0798     252.553     
1 1 1 9  20 11 o 75.5141 2.80039 29.7646      3.24318  33.2341      3.23865  68.7604     209.79      10.0779     209.79      
1 1 1 9  20 12 o 49.5194 3.6438  11.6816      2.58906  15.9977      2.86735  47.0821     354.897     19.9128     354.897     
1 1 1 9  20 13 o 59.706  3.47063 20.2114      3.16951  19.6065      3.1556   46.3776     110.856     6.81822     290.856     
1 1 1 9  20 14 o 55.2018 3.65449 14.0849      3.01204  20.4123      3.03718  30.6514     54.8707     31.5246     234.871     
1 1 1 9  20 15 o 116.506 2.64164 71.428       4.48885  78.5001      4.97983  116.188     314.298     29.9277     314.298     
1 1 1 9  20 16 o 106.326 2.6892  66.8299      4.60792  58.3212      4.18726  88.8924     228.33      7.15754     48.3301     
1 1 1 9  20 17 f 71.496  3.08495 26.4137      3.29951  30.6374      3.45631  42.9276     206.147     0           0           
1 1 1 9  20 18 o 81.8267 3.14906 35.1494      4.09087  39.6604      3.77512  70.6685     279.732     0.0298794   279.732     
1 1 1 9  20 19 o 66.9841 3.13714 24.3466      3.3465   25.8795      3.06981  46.5454     297.627     21.992      117.627     
1 1 1 9  20 20 o 53.7745 3.34349 14.4355      2.71024  18.2801      2.73997  49.6606     263.402     9.20597     263.402     
1 1 1 9  20 21 o 89.4178 2.70746 45.326       3.72324  43.6297      3.71458  77.0083     340.424     0.480129    160.424     
1 1 1 9  20 22 o 77.7147 2.86119 32.7736      3.38647  34.7379      3.43706  75.9298     136.098     18.6734     136.098     
1 1 1 9  20 23 o 18.45   5.06407 0.103509     2.09209  2.42471      2.18733  4.61185     200.573     6.71584     20.5726     
1 1 1 9  20 24 o 97.045  3.30949 50.6408      4.29778  55.8556      5.53102  99.8801     213.746     32.6968     213.746     
1 1 1 9  20 25 o 21.0454 5.23684 4.4003       2.53695  -0.0214583   2.08349  6.63464     329.139     15.7763     149.139     
1 1 1 9  20 26 o 20.9126 5.5901  3.2318       2.53678  0.806896     2.56612  9.50537     6.87635     8.88478     186.876     
1 1 1 9  20 27 o 58.3785 3.33987 22.4782      2.95322  16.6579      2.94152  53.1018     191.598     7.05803     191.598     
1 1 1 9  20 28 o 23.9625 5.38212 3.16881      2.17639  3.92415      2.29559  9.91386     29.6153     18.0506     209.615     
1 1 1 9  20 29 o 42.1231 4.12458 10.4571      2.58328  10.6858      2.62416  31.225      192.92      7.89503     12.9205     
1 1 1 9  20 30 o 18.9298 5.09134 0.485019     2.12522  2.8322       2.15631  3.72753     160.972     19.9103     340.972     
1 1 1 9  20 31 o 23.7136 5.402   3.95203      2.21372  3.21702      2.29306  12.9826     164.48      8.73115     344.48      
1 1 1 9  20 32 o 14.0265 4.43769 0.542249     2.02146  -2.04522     2.0707   0.709362    149.528     11.5658     329.528     
1 1 1 9  20 33 o 38.4252 4.86502 10.0661      2.90379  8.61012      2.64469  29.6161     248.653     2.97625     68.6526     
1 1 1 9  20 34 o 40.0293 3.85106 9.40112      2.30814  9.98579      2.31441  37.1138     240.87      9.59274     240.87      
1 1 1 9  20 35 o 32.5477 4.40922 7.33784      2.21001  6.147        2.05064  29.2954     144.298     7.88064     144.298     
1 1 1 9  20 36 o 16.7077 4.82884 2.05137      2.02042  0.118762     2.04809  6.69743     223.646     0.806525    43.6459     
1 1 1 9  20 37 o 32.822  4.5181  5.96063      2.16462  8.24494      2.23284  27.2436     49.8339     1.72241     49.8338     
1 1 1 9  20 38 o 21.0204 5.02111 0.892913     2.06725  4.86863      2.20071  11.422      304.719     8.94831     124.719     
1 1 1 9  20 39 o 32.4441 5.18919 7.14375      2.54172  7.74579      2.52347  26.4177     221.235     1.27528     221.235     
1 1 1 9  20 40 o 33.2665 5.01828 9.06084      2.54515  6.67276      2.45159  24.6485     97.1359     3.94443     277.136     
1 1 1 9  20 41 o 14.7665 4.63194 0.416455     2.14026  0.427803     2.05467  3.26705     250.96      0.679786    250.96      
1 1 1 9  20 42 o 20.3769 5.90468 3.91767      3.18314  2.70675      2.719    11.209      69.991      8.15872     249.991     
1 1 1 9  20 43 o 11.9687 4.05482 -1.68069     2.10093  -1.58697     2.17261  3.13354     42.6613     3.64813     222.661     
1 1 1 9  20 44 o 23.1701 5.55358 3.83858      2.33549  5.24448      2.42587  19.0744     64.9924     5.08798     64.9924     
1 1 1 9  20 45 o 18.7389 5.18014 -0.175585    2.16776  5.25573      2.61589  12.606      220.996     4.88013     220.996     
1 1 1 9  20 46 o 17.1773 4.95031 3.4985       2.17801  0.0451213    2.32398  8.41966     0.877865    3.07023     180.878     
1 1 1 9  20 47 o 23.8049 5.76491 7.30183      2.76479  3.18984      2.69974  16.2135     264.242     2.97383     264.242     
1 1 1 9  20 48 o 17.8506 5.18791 2.10108      2.26407  3.15617      2.33766  7.56611     178.146     6.7241      358.146     
1 1 1 9  20 49 o 13.1655 4.34747 -2.00411     2.13272  1.51148      2.31117  3.77284     115.073     4.99744     295.073     
1 1 1 9  20 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  21 0  o 121.765 2.09351 81.1276      3.9202   81.1276      3.9202   138.684     90          63.4077     90          
1 1 1 9  21 1  o 75.5749 2.35101 37.1275      2.7266   26.1677      2.67589  66.6179     81.7394     5.88316     81.7394     
1 1 1 9  21 2  o 109.458 2.16416 63.464       3.63653  68.0509      3.64881  91.2477     174.359     6.5163      354.359     
1 1 1 9  21 3  o 25.1785 4.16989 3.84024      1.59203  3.51968      1.5854   10.0872     339.859     56.5033     339.859     
1 1 1 9  21 4  o 71.5265 2.61444 28.0369      2.72251  28.4062      3.01123  59.9548     232.244     0.478519    52.2449     
1 1 1 9  21 5  o 79.2913 2.47226 32.1768      3.00216  37.1628      3.00839  81.69       251.167     30.1062     251.167     
1 1 1 9  21 6  o 174.347 2.19275 164.939      5.88689  168.634      5.88652  205.656     312.611     108.26      312.611     
1 1 1 9  21 7  f 99.3839 2.24783 53.2103      3.2906   55.3675      3.57923  74.7048     193.655     0           0           
1 1 1 9  21 8  o 17.8612 4.80847 1.79095      1.86612  0.780158     1.83583  4.1856      260.695     23.3394     260.695     
1 1 1 9  21 9  o 71.9238 2.97569 26.8581      3.39871  30.6156      3.12668  65.9709     227.492     10.4002     227.492     
1 1 1 9  21 10 o 28.6497 4.767   5.92498      2.07055  3.77975      2.10724  15.6859     60.184      1.06374     60.184      
1 1 1 9  21 11 f 52.2075 3.55794 15.2173      2.92099  15.464       2.72234  38.1225     241.885     0           0           
1 1 1 9  21 12 o 78.1376 3.31925 31.606       4.16772  36.7084      3.71166  61.8819     171.552     10.3163     351.552     
1 1 1 9  21 13 o 48.306  4.86533 12.9794      3.93067  14.1755      2.94456  39.5229     262.183     0.749026    82.1829     
1 1 1 9  21 14 o 47.2747 3.86917 11.7102      2.91587  13.7949      2.53491  35.9387     194.983     6.52927     14.9826     
1 1 1 9  21 15 o 19.3878 5.10291 -1.13035     2.60118  3.08201      2.07114  3.75961     215.509     3.50325     35.5087     
1 1 1 9  21 16 o 19.0419 5.34704 2.08211      2.64399  0.63094      2.04549  4.20418     43.3258     6.96641     223.326     
1 1 1 9  21 17 o 86.9104 3.14376 40.6687      4.37505  43.963       3.97869  76.7414     341.369     4.28877     341.369     
1 1 1 9  21 18 o 21.7588 5.24754 3.1821       2.17731  2.08658      2.06858  4.69462     92.2127     0.244842    92.2127     
1 1 1 9  21 19 o 30.9512 4.78296 4.87692      2.19959  6.67887      2.24372  21.5286     348.807     3.87827     168.807     
1 1 1 9  21 20 o 52.3759 3.78642 17.8695      2.72802  13.7332      3.14945  38.7244     70.9799     10.3956     250.98      
1 1 1 9  21 21 o 36.3564 4.57452 7.44398      2.37278  8.3077       2.563    35.633      176.431     16.9994     176.431     
1 1 1 9  21 22 f 84.526  3.03065 46.4201      3.93058  34.4159      3.87012  59.43       297.13      0           0           
1 1 1 9  21 23 o 60.1211 3.3901  25.1267      3.22391  16.4988      2.94063  65.7342     325.701     31.0057     325.701     
1 1 1 9  21 24 o 15.3447 4.87881 -1.43163     2.37956  -0.124642    2.47019  2.87118     46.6032     3.55689     226.603     
1 1 1 9  21 25 o 33.2053 5.55312 8.97521      2.89126  5.12055      2.79312  29.3024     125.661     5.89108     125.661     
1 1 1 9  21 26 o 23.4857 5.26718 4.29937      2.18724  2.4508       2.18802  14.3345     159.219     6.56073     339.219     
1 1 1 9  21 27 o 59.1831 3.33537 17.0566      2.95983  23.5786      3.00503  62.3192     319.856     25.5269     319.856     
1 1 1 9  21 28 o 20.2767 5.29457 1.99154      2.14577  2.60842      2.23194  10.6937     247.226     3.31482     67.2257     
1 1 1 9  21 29 o 33.8598 4.89787 4.37278      2.44964  10.5685      2.54857  34.2415     71.6981     18.8615     71.6982     
1 1 1 9  21 30 o 52.9594 3.58928 17.1568      2.87942  15.8455      2.8975   61.2363     281.065     36.4409     281.065     
1 1 1 9  21 31 o 44.0442 4.1582  12.3435      2.6997   11.2381      2.78562  42.2358     303.961     13.3301     303.961     
1 1 1 9  21 32 o 17.8271 5.00894 2.74253      2.17991  -0.464846    2.24458  6.90071     8.7917      5.86141     188.792     
1 1 1 9  21 33 o 56.2664 3.56076 18.8075      3.02897  19.1044      3.07627  57.6687     247.513     22.3547     247.513     
1 1 1 9  21 34 o 40.9324 5.20404 11.2521      3.11862  11.3003      3.20009  34.3939     115.504     2.3409      115.504     
1 1 1 9  21 35 o 14.309  4.68875 -0.020917    2.46096  -2.20989     2.53149  3.85244     347.416     9.11975     167.416     
1 1 1 9  21 36 o 14.9053 4.6839  -1.41285     2.17916  1.24368      2.26274  4.16841     315.525     0.42427     315.525     
1 1 1 9  21 37 o 40.7894 4.19669 11.867       2.76357  9.6926       2.35915  38.4426     163.131     10.8576     163.131     
1 1 1 9  21 38 o 27.9382 5.2263  4.79316      2.32201  6.62104      2.29952  22.8676     263.084     3.5936      263.084     
1 1 1 9  21 39 o 19.8635 5.36791 1.83577      2.1619   3.8255       2.46974  14.306      319.616     4.51966     319.616     
1 1 1 9  21 40 o 15.7022 4.69024 -1.26387     2.332    2.33418      1.98913  9.48792     259.881     0.891122    79.881      
1 1 1 9  21 41 o 17.915  5.2535  0.565963     2.55724  3.23148      2.41941  11.6304     82.0343     0.337521    262.034     
1 1 1 9  21 42 o 15.4104 4.88175 -1.13459     2.18745  2.34747      2.66065  3.97492     304.649     1.00835     304.649     
1 1 1 9  21 43 o 15.7837 4.87723 0.429238     2.12052  1.98005      2.3856   6.39919     214.356     1.47681     214.356     
1 1 1 9  21 44 o 19.0322 5.25515 2.42364      2.20843  3.45239      2.27197  11.995      189.956     1.06317     9.95592     
1 1 1 9  21 45 o 13.3704 4.37358 -1.51013     2.09505  0.866748     2.2135   1.64717     220.765     6.80261     40.7648     
1 1 1 9  21 46 o 18.2504 5.26354 3.02799      2.34473  2.39184      2.3354   7.6781      227.589     2.84652     47.5888     
1 1 1 9  21 47 o 14.7884 4.73023 0.524537     2.20444  1.51356      2.40531  3.02608     176.226     0.924356    356.226     
1 1 1 9  21 48 o 16.6528 5.04697 -0.184223    2.3319   4.26737      2.57575  9.01187     343.747     2.80814     343.747     
1 1 1 9  21 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  22 0  o 23.1359 5.57274 3.85022      1.78018  3.85022      1.78018  9.64689     270         15.8357     90          
1 1 1 9  22 1  o 61.253  2.44382 21.1555      2.29948  20.3373      2.29142  57.6345     268.784     12.8476     268.784     
1 1 1 9  22 2  o 18.7852 4.26052 2.07989      1.40846  1.84545      1.38487  3.01056     264.389     9.26255     84.3895     
1 1 1 9  22 3  o 63.5314 2.57527 24.8031      2.50354  20.029       2.49219  60.6466     188.672     14.658      188.672     
1 1 1 9  22 4  o 59.5519 2.46164 16.7229      2.22512  22.7523      2.22718  53.2651     138.747     6.65825     138.747     
1 1 1 9  22 5  o 50.9058 2.86925 15.8449      2.23539  13.1166      2.211    45.6132     112.636     7.27559     112.636     
1 1 1 9  22 6  o 17.8113 4.13216 1.57075      1.24653  1.91134      1.37234  2.20086     334.202     11.7125     154.202     
1 1 1 9  22 7  o 42.6087 3.40864 9.69241      2.39246  10.8499      1.92788  40.4848     59.6226     13.6119     59.6226     
1 1 1 9  22 8  f 98.771  2.79479 60.8295      4.63402  47.91        3.86205  76.5991     332.357     0           0           
1 1 1 9  22 9  o 65.2797 3.46736 21.7175      3.07113  26.3976      3.85518  51.0169     239.932     8.43635     59.9321     
1 1 1 9  22 10 o 71.6518 3.81759 26.5425      3.44974  31.8013      4.88213  91.2108     53.0759     64.5683     53.0759     
1 1 1 9  22 11 o 34.3957 5.42972 4.7862       2.4758   9.9098       3.21945  23.2408     141.954     6.93166     321.954     
1 1 1 9  22 12 o 67.9536 3.10986 24.4735      3.36116  27.3286      3.07913  60.2529     245.412     5.72047     245.412     
1 1 1 9  22 13 o 14.9764 4.49198 -0.406902    1.77668  0.722649     1.85902  1.36504     210.542     14.8902     210.542     
1 1 1 9  22 14 o 30.5297 5.06768 5.3578       2.33811  5.93161      2.34696  22.7122     116.155     1.18057     116.155     
1 1 1 9  22 15 o 48.3897 3.99198 16.7799      2.82136  10.5686      2.84952  40.4919     62.4492     1.397       62.449      
1 1 1 9  22 16 o 92.0318 3.08022 46.3134      4.16882  48.8865      4.53633  87.2978     255.931     17.7714     255.931     
1 1 1 9  22 17 o 105.812 2.87294 66.2068      4.23707  59.2113      5.01253  107.325     276.083     34.0272     276.083     
1 1 1 9  22 18 o 36.337  4.37672 7.80898      2.3506   7.82808      2.37195  25.1181     146.595     7.81363     326.595     
1 1 1 9  22 19 o 20.4202 5.08426 0.710019     2.17924  3.40949      2.05916  9.12263     96.6487     3.75984     276.649     
1 1 1 9  22 20 o 78.6643 3.13286 30.5453      3.93247  39.6958      3.49145  73.7225     356.2       14.0948     356.2       
1 1 1 9  22 21 o 54.7951 4.23641 15.1186      3.68199  20.2752      3.1237   45.2899     5.36212     1.23113     185.362     
1 1 1 9  22 22 o 69.9676 3.5727  26.7078      3.5088   29.6775      4.13504  62.393      20.7808     6.33409     20.7808     
1 1 1 9  22 23 o 47.6213 4.30014 14.5175      3.47317  12.5586      2.67214  37.5865     56.4193     4.14022     236.419     
1 1 1 9  22 24 o 23.1715 5.59446 5.99612      2.90413  -0.555371    2.68557  7.77626     151.656     19.8419     331.656     
1 1 1 9  22 25 o 22.2106 5.484   3.90307      2.20288  1.654        2.6697   11.3789     133.912     8.62256     313.912     
1 1 1 9  22 26 f 36.7262 4.61566 7.30264      2.48821  9.45567      2.52413  21.1477     308.962     0           0           
1 1 1 9  22 27 o 66.6343 3.22828 28.1147      3.29688  23.3373      3.26569  59.8237     78.8914     8.2922      78.8914     
1 1 1 9  22 28 o 63.9931 3.26935 25.4836      3.19477  22.0948      3.1905   54.9712     45.1787     3.27787     45.1787     
1 1 1 9  22 29 o 19.4361 5.03564 -0.579039    2.14252  4.02174      2.31288  8.66702     100.981     6.11935     280.981     
1 1 1 9  22 30 o 43.6932 4.59854 11.1581      2.77465  12.9605      3.22793  39.1597     60.091      7.78037     60.091      
1 1 1 9  22 31 o 25.169  5.58628 4.02599      2.38186  4.8117       2.4501   11.9784     205.222     14.3012     25.2217     
1 1 1 9  22 32 o 31.7704 4.68323 0.592082     2.8869   13.0422      2.62192  32.9773     278.777     19.6562     278.777     
1 1 1 9  22 33 o 15.1445 4.8715  -0.918227    2.45091  0.231727     2.54124  3.73277     66.9035     0.13614     246.904     
1 1 1 9  22 34 o 25.6635 6.06959 3.70646      2.89532  6.4592       2.91699  17.104      91.4537     5.03454     271.454     
1 1 1 9  22 35 o 23.9799 5.03155 7.24367      2.45647  0.345285     2.45366  16.1118     171.875     3.64786     351.875     
1 1 1 9  22 36 o 19.3569 5.54142 1.68546      2.56032  3.10634      2.61679  4.47924     18.5571     19.2839     198.557     
1 1 1 9  22 37 o 17.5156 5.28145 2.11012      2.5117   0.955269     2.54533  8.87821     97.8952     2.48761     97.8952     
1 1 1 9  22 38 o 20.0413 5.7152  3.68959      2.68954  2.24499      2.82449  15.0408     49.5757     2.72488     49.5757     
1 1 1 9  22 39 o 15.4971 5.02564 1.16847      2.91614  -0.647889    2.50278  8.04        316.462     2.68905     136.462     
1 1 1 9  22 40 o 20.4653 5.81531 5.76767      3.06318  0.629046     3.0489   12.3199     3.7695      4.53061     183.77      
1 1 1 9  22 41 o 20.4482 5.4642  5.40996      2.75399  1.72009      2.06083  14.2463     123.147     0.494339    123.147     
1 1 1 9  22 42 o 12.3124 4.1584  -1.2153      2.30036  -1.33459     2.11496  1.53877     83.8735     0.946437    263.874     
1 1 1 9  22 43 o 17.7882 5.21656 0.892258     2.15507  3.88259      2.61359  8.52338     279.04      1.07504     99.0398     
1 1 1 9  22 44 o 26.7893 4.90326 9.33391      2.40313  2.44623      2.39337  19.0868     47.6556     0.583632    47.6556     
1 1 1 9  22 45 o 20.2674 5.56237 3.92925      2.30412  3.8599       2.70673  11.2668     220.577     2.84664     40.5773     
1 1 1 9  22 46 f 12.2463 4.16735 -1.65164     2.13333  -0.357421    2.45204  10.2835     58.0556     0           0           
1 1 1 9  22 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  23 0  o 39.3714 3.15969 8.86641      1.85204  8.86641      1.85204  46.6026     270         27.3798     270         
1 1 1 9  23 1  o 45.9197 2.98129 13.2915      2.22819  10.4842      1.94268  40.1503     51.8605     5.97729     51.8605     
1 1 1 9  23 2  o 31.1163 3.77174 5.48083      1.76388  5.73926      1.71894  22.4962     184.793     1.11527     4.79264     
1 1 1 9  23 3  o 54.3163 2.84727 16.3098      2.45615  16.6924      2.2656   47.853      202.742     5.98841     202.742     
1 1 1 9  23 4  o 27.9457 3.76801 4.95111      1.58358  4.16155      1.54016  20.3756     324.555     5.89028     324.555     
1 1 1 9  23 5  o 42.6546 3.30485 9.47756      2.12664  11.1908      2.12931  44.7835     89.9401     24.3769     89.9401     
1 1 1 9  23 6  o 60.4786 3.04368 21.4382      2.60263  19.6424      2.9896   57.9052     316.573     15.448      316.573     
1 1 1 9  23 7  o 53.9227 3.29642 14.5237      2.68138  18.467       2.70724  47.902      243.781     6.88912     243.781     
1 1 1 9  23 8  o 12.0242 3.95795 -2.66458     1.79232  -0.674487    1.83363  3.95892     56.98       15.0875     56.9801     
1 1 1 9  23 9  f 32.7649 5.08314 5.92501      2.50651  7.11463      2.48617  21.2774     279.967     0           0           
1 1 1 9  23 10 o 29.843  5.22274 6.96867      2.44122  3.98836      2.42787  6.36485     286.598     4.28567     286.598     
1 1 1 9  23 11 o 19.1573 4.98963 2.11081      1.90595  1.52679      1.98922  4.99494     61.8974     3.53178     241.897     
1 1 1 9  23 12 o 90.5438 3.18238 44.6126      3.77534  47.8415      5.013    95.8086     203.384     38.8222     203.384     
1 1 1 9  23 13 o 21.7408 5.2525  1.73223      2.18197  3.50576      2.15058  9.60723     41.4833     7.23734     221.483     
1 1 1 9  23 14 o 49.1803 3.89358 15.9753      3.15146  12.1501      2.65036  39.2332     253.943     2.42619     73.9434     
1 1 1 9  23 15 o 57.0072 3.74378 15.6356      3.23555  22.0102      3.15194  47.7105     358.872     0.566753    358.872     
1 1 1 9  23 16 o 42.5638 4.62103 9.94241      2.51261  11.7419      3.33841  27.0644     202.986     15.7847     22.9863     
1 1 1 9  23 17 o 34.5654 5.26938 7.04545      2.33217  7.78711      3.10817  34.272      117.571     16.2126     117.571     
1 1 1 9  23 18 o 37.8034 4.42936 6.05575      2.3873   11.4331      2.46528  30.7991     158.027     0.303408    158.027     
1 1 1 9  23 19 o 25.239  5.33459 3.61535      2.22295  4.37379      2.25457  10.789      242.79      17.8603     62.7896     
1 1 1 9  23 20 o 34.6202 4.86204 5.2115       2.38956  9.93273      2.62276  22.4016     81.5675     11.0429     261.568     
1 1 1 9  23 21 o 24.517  5.48608 2.65716      2.37213  4.8947       2.39629  15.983      54.5682     3.33444     234.568     
1 1 1 9  23 22 f 31.8451 5.05534 6.59975      2.43016  6.26973      2.40654  17.6634     26.4121     0           0           
1 1 1 9  23 23 o 30.9414 5.79588 4.43833      2.92781  8.37824      2.88992  19.516      30.6071     8.83925     210.607     
1 1 1 9  23 24 o 28.5586 5.64259 6.50598      2.44367  4.22091      2.8826   16.9796     192.53      9.43475     12.53       
1 1 1 9  23 25 f 16.3201 4.77302 -1.4589      2.11369  2.12736      2.13045  7.98432     88.2395     0           0           
1 1 1 9  23 26 o 36.9437 4.72379 7.43279      2.54398  9.83328      2.61787  29.4028     170.343     0.629852    170.343     
1 1 1 9  23 27 o 19.3353 5.4542  1.70011      2.70969  2.05429      2.21445  8.01114     147.833     7.99462     327.833     
1 1 1 9  23 28 o 42.7051 4.83567 12.1309      3.30162  11.3913      2.83154  42.0405     45.4926     16.3941     45.4926     
1 1 1 9  23 29 o 25.4107 5.86458 4.34251      2.46855  4.97211      2.80707  18.9004     90.6544     1.8969      90.6544     
1 1 1 9  23 30 o 21.6809 5.53689 2.05718      2.48843  4.20143      2.40948  14.0525     62.0933     1.83248     242.093     
1 1 1 9  23 31 o 28.243  5.68815 4.47179      2.72033  7.32869      2.63523  8.76587     34.499      27.465      214.499     
1 1 1 9  23 32 o 21.2923 5.88712 1.6507       3.00908  4.33319      2.81901  14.8769     130.625     0.849772    130.625     
1 1 1 9  23 33 o 51.997  3.94781 17.3436      3.07916  16.9211      3.14139  57.8452     274.48      31.9334     274.48      
1 1 1 9  23 34 o 15.3659 4.91886 1.62342      2.72579  -1.89267     2.37147  4.11739     132.283     10.345      312.283     
1 1 1 9  23 35 f 20.0412 5.63372 1.73489      2.56769  3.95662      2.72842  12.6162     184.893     0           0           
1 1 1 9  23 36 o 19.7631 5.45563 4.45686      2.58969  0.973053     2.49416  15.3644     280.999     5.11622     280.999     
1 1 1 9  23 37 o 24.6644 5.84782 2.77006      2.7165   7.63605      2.93557  19.0159     37.6891     14.0835     37.6891     
1 1 1 9  23 38 o 18.2418 5.32292 -0.031488    2.54974  4.11317      2.64228  11.2335     153.392     1.09245     333.392     
1 1 1 9  23 39 o 19.5513 5.74424 5.0891       3.16949  1.11889      2.66615  10.0084     107.126     5.30294     107.126     
1 1 1 9  23 40 o 15.0591 4.91618 1.12843      2.44334  -1.10505     3.08529  6.25572     178.503     0.471166    358.503     
1 1 1 9  23 41 o 17.5249 5.36688 3.08772      2.74187  1.1877       2.65485  7.03505     359.981     0.943715    359.981     
1 1 1 9  23 42 o 14.802  4.85077 2.03123      2.76447  -2.65521     2.71726  2.02281     221.558     3.75911     41.5578     
1 1 1 9  23 43 o 16.8535 5.26998 0.442982     2.54758  3.29083      2.89267  5.56056     95.6031     6.91756     275.603     
1 1 1 9  23 44 o 26.2252 6.62658 7.58216      3.9021   9.57493      3.28382  17.9541     176.533     1.9304      356.533     
1 1 1 9  23 45 o ?       ?       ?            ?        ?            ?        6.65642     150.039     0           0           
1 1 1 9  24 0  o 96.2238 2.4879  51.1228      3.67522  51.1228      3.67522  98.7999     270         33.609      270         
1 1 1 9  24 1  o 88.1424 2.38612 42.5954      3.16154  43.7123      3.30366  89.2854     179.151     30.7009     179.151     
1 1 1 9  24 2  o 34.7539 3.60652 5.87103      1.75334  8.19006      1.98269  31.1277     307.659     10.3903     307.659     
1 1 1 9  24 3  o 55.8309 2.92862 17.7453      2.39781  17.338       2.59438  47.3531     332.496     2.71028     332.496     
1 1 1 9  24 4  o 47.7318 2.96626 14.9607      2.28034  10.9141      2.02579  39.5866     237.806     1.54308     237.806     
1 1 1 9  24 5  o 114.627 2.39851 71.1172      4.22344  74.8826      4.2326   113.129     121.933     32.7131     121.933     
1 1 1 9  24 6  f 44.335  4.17602 14.0668      2.20072  9.11085      2.95824  55.7372     48.298      0           0           
1 1 1 9  24 7  o 40.1159 5.11144 9.46906      2.73883  10.0729      3.33111  36.7969     119.396     11.004      119.396     
1 1 1 9  24 8  o 61.8061 3.82812 20.2786      3.38111  23.8182      3.83692  59.191      283.556     16.2282     283.556     
1 1 1 9  24 9  o 86.4388 2.76724 41.8893      3.66818  41.8579      3.67944  79.2071     205.368     13.2095     205.368     
1 1 1 9  24 10 o 48.4423 3.65889 13.1641      2.61675  13.9131      2.75805  43.5245     33.9406     7.97494     33.9406     
1 1 1 9  24 11 o 19.2638 5.07595 0.765905     2.03418  2.76475      2.12427  8.94136     107.78      4.48629     287.78      
1 1 1 9  24 12 o 47.75   3.89141 12.1751      2.79086  14.4503      2.80703  44.1343     189.112     10.2116     189.112     
1 1 1 9  24 13 o 51.2684 3.60969 14.1503      2.8763   16.263       2.71577  52.2765     48.1995     20.459      48.1995     
1 1 1 9  24 14 o 46.5611 3.77182 14.3373      2.63708  11.0509      2.62775  40.4176     272.605     4.37012     272.605     
1 1 1 9  24 15 o 37.7667 4.38666 8.80674      2.43592  8.38784      2.4866   40.852      317.983     23.4854     317.983     
1 1 1 9  24 16 o 14.7018 4.57647 0.122281     2.01451  -0.484893    2.01629  2.68722     294.236     3.44019     114.236     
1 1 1 9  24 17 o 56.9696 3.34223 18.1582      2.9005   19.3401      2.90839  51.5245     233.603     9.14123     233.603     
1 1 1 9  24 18 o 90.5745 2.79753 47.9739      3.89252  45.124       3.88941  96.8014     101.314     42.6021     101.314     
1 1 1 9  24 19 o 23.522  5.38158 4.08091      2.22156  2.9263       2.27147  15.2027     91.3165     4.75874     91.3165     
1 1 1 9  24 20 f 30.6622 5.35134 7.81196      2.57129  4.53172      2.55898  24.1325     66.4781     0           0           
1 1 1 9  24 21 o 56.5814 3.68282 19.4306      3.30427  18.3446      3.04084  47.8232     89.6997     2.96674     89.6997     
1 1 1 9  24 22 o 21.6426 5.74685 2.87277      2.78078  2.65145      2.41139  11.4437     50.2132     0.862496    50.2132     
1 1 1 9  24 23 o 21.0815 5.94082 0.914398     2.72779  3.74475      3.17194  10.2026     41.3228     0.821936    41.3228     
1 1 1 9  24 24 o 16.9807 5.10792 -2.48251     2.06789  3.13033      2.91061  5.22356     296.294     6.06502     116.294     
1 1 1 9  24 25 o 15.6731 4.93902 -1.3057      2.12451  1.20281      2.7084   3.51593     93.2234     9.16557     273.223     
1 1 1 9  24 26 o 15.7775 4.86312 0.32669      2.22276  0.529545     2.21957  2.76853     85.4184     13.8325     265.418     
1 1 1 9  24 27 o 23.9358 5.30001 1.41285      2.41003  6.28845      2.4656   18.0438     22.5735     2.85506     22.5735     
1 1 1 9  24 28 o 57.4433 3.63398 17.4324      3.12255  23.142       3.18162  62.4726     58.1195     31.6079     58.1195     
1 1 1 9  24 29 o 18.7492 5.16272 3.72318      2.32852  -0.394389    2.43767  11.9725     117.205     0.112864    117.206     
1 1 1 9  24 30 o 20.6047 5.77626 1.75239      2.75321  3.86928      2.80619  13.8092     168.732     1.48667     168.732     
1 1 1 9  24 31 o 41.44   5.43484 13.6508      3.32098  11.0371      3.34052  44.8699     113.593     25.917      113.593     
1 1 1 9  24 32 o 18.4991 5.31645 1.30358      2.37859  2.86203      2.42732  8.39003     26.3421     2.89184     26.3421     
1 1 1 9  24 33 o 17.0459 5.19868 1.63897      2.35445  1.05265      2.64314  8.75899     251.391     4.5148      71.3913     
1 1 1 9  24 34 o 19.872  5.4476  -0.425902    2.64973  5.3538       2.75408  12.894      0.611335    2.578       180.611     
1 1 1 9  24 35 o 18.9379 5.58234 1.59297      3.03496  3.27077      2.55399  12.9532     111.271     1.9471      111.271     
1 1 1 9  24 36 o 17.0194 5.43221 0.422054     3.20235  1.95147      2.92328  6.36006     103.367     10.4981     283.367     
1 1 1 9  24 37 o 21.3598 5.99141 5.52099      3.13714  2.84245      2.80632  8.39144     47.5552     14.7273     227.555     
1 1 1 9  24 38 o 17.775  5.5327  2.1093       3.138    2.27331      2.75851  9.93967     191.075     2.31287     11.0749     
1 1 1 9  24 39 o 17.8961 5.56865 2.81077      2.76321  1.7175       3.30152  6.44649     126.1       10.431      306.1       
1 1 1 9  24 40 o 14.995  4.85905 -1.39952     2.5985   1.83473      2.6172   2.16512     303.481     10.004      123.481     
1 1 1 9  24 41 o 24.8656 6.36449 7.55013      3.35784  5.6419       2.91056  16.9572     21.5799     1.56752     21.5799     
1 1 1 9  24 42 o 16.9831 5.52262 3.29356      3.96464  1.73744      2.67096  7.22748     139.268     1.38699     319.268     
1 1 1 9  24 43 o 13.1104 4.4568  -1.10832     2.43492  -0.283293    2.79664  3.6654      217.482     1.29381     37.4816     
1 1 1 9  24 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  25 0  o 12.891  5.02449 1.34428      1.44737  1.34428      1.44737  1.60873     90.0001     4.80869     270         
1 1 1 9  25 1  o 60.9847 2.65017 19.3602      2.46382  22.4882      2.4792   55.2692     68.1923     9.64753     68.1923     
1 1 1 9  25 2  o 16.2473 4.13253 2.36489      1.43907  -0.449577    1.55926  3.25625     149.211     15.077      329.211     
1 1 1 9  25 3  o 11.1049 3.5088  -1.27881     1.23937  0.144852     1.28207  1.73429     273.99      13.4093     273.99      
1 1 1 9  25 4  o 118.921 2.53872 77.8792      4.85535  80.3593      4.4117   119.839     237.115     40.3463     237.115     
1 1 1 9  25 5  o 80.4425 9.84823 14.0428      2.36775  117.965      22.4157  94.6776     184.658     57.8335     184.658     
1 1 1 9  25 6  o 62.0656 3.73552 24.1083      3.41682  20.6615      3.61241  58.3947     108.806     14.2735     108.806     
1 1 1 9  25 7  o 20.0938 5.0283  0.96783      1.9705   3.36166      2.09103  4.34182     72.4426     21.0229     252.443     
1 1 1 9  25 8  o 48.1649 4.07296 13.759       2.6659   13.6799      3.21286  43.4961     164.737     8.68132     164.737     
1 1 1 9  25 9  o 87.5931 3.11976 43.8143      3.76761  43.6949      4.57259  84.4272     115.799     23.0591     115.799     
1 1 1 9  25 10 o 35.2954 4.76879 9.13041      2.49546  6.35368      2.4824   35.1385     48.0771     16.9839     48.0771     
1 1 1 9  25 11 o 24.9279 5.28884 4.73353      2.26584  3.16711      2.16554  15.9813     61.5932     9.09144     61.5932     
1 1 1 9  25 12 f 43.9784 4.13457 10.7001      2.58228  12.49        2.88186  33.0482     17.647      0           0           
1 1 1 9  25 13 o 15.8334 4.74941 -0.359096    1.97819  1.18289      2.10244  2.2507      340.53      12.9891     160.53      
1 1 1 9  25 14 o 13.1925 4.22531 -2.17887     1.9001   0.229948     1.91718  0.165381    357.243     1.79438     177.243     
1 1 1 9  25 15 o 17.0282 4.86098 -0.109546    2.02683  2.04146      2.05621  4.48673     22.8567     9.02645     202.857     
1 1 1 9  25 16 o 56.1558 3.50051 18.0404      2.98889  18.8708      3.00211  45.0127     215.96      1.53114     35.9598     
1 1 1 9  25 17 o 32.8991 4.99105 7.03488      2.45661  6.77486      2.44907  24.5845     123.415     0.91438     303.415     
1 1 1 9  25 18 o 55.4152 3.72107 16.5105      3.21087  19.9176      3.00273  43.1077     117.546     3.89075     297.546     
1 1 1 9  25 19 o 14.4307 4.59241 0.240924     2.13418  -1.48327     2.22534  1.20865     225.301     4.36132     45.3011     
1 1 1 9  25 20 o 34.4159 5.31589 8.14176      2.70251  7.53458      2.77495  29.1992     118.41      6.35255     118.41      
1 1 1 9  25 21 o 74.6441 3.43224 29.3447      4.08432  36.6846      3.63467  62.8519     246.629     3.17883     246.63      
1 1 1 9  25 22 f 28.1499 6.32308 5.91804      3.0338   5.83002      3.12817  21.1827     117.422     0           0           
1 1 1 9  25 23 o 38.0919 5.68703 12.9775      3.25807  7.59461      3.24998  30.1229     40.3117     0.51001     40.3117     
1 1 1 9  25 24 o 17.8622 5.1901  1.29798      2.2708   1.80224      2.31642  8.81872     178.579     0.244958    358.579     
1 1 1 9  25 25 o 37.6381 4.88296 10.2087      2.70761  8.83625      2.73563  27.2434     329.095     5.39195     149.095     
1 1 1 9  25 26 o 14.6132 4.64043 0.815794     2.21036  -1.30726     2.23674  5.63141     333.845     3.91172     153.845     
1 1 1 9  25 27 o 16.925  5.09581 -0.0928202   2.29954  2.18647      2.45981  6.16841     311.45      9.99607     131.45      
1 1 1 9  25 28 o 58.5502 3.72616 23.0675      3.32011  19.8252      3.3071   57.541      296.555     20.7478     296.555     
1 1 1 9  25 29 o 19.5412 5.64982 0.359738     2.8155   4.1455       2.87548  11.3227     291.502     2.05139     291.502     
1 1 1 9  25 30 o 15.3207 4.98737 -2.58615     2.59457  1.58278      2.93718  5.77198     327.814     0.579833    147.814     
1 1 1 9  25 31 o 19.0443 5.68478 0.110081     2.3878   4.88838      3.39577  8.64597     311.831     10.0852     131.831     
1 1 1 9  25 32 o 56.752  5.26304 23.0742      3.69786  24.2454      5.03585  59.0951     87.4977     27.3883     87.4977     
1 1 1 9  25 33 o 18.0887 5.62805 0.690371     2.64385  3.45544      3.39653  10.5701     276.125     1.95986     96.1251     
1 1 1 9  25 34 o 16.0891 5.11819 1.75916      2.40322  -0.672769    3.20268  7.48018     260.766     4.25853     80.7658     
1 1 1 9  25 35 o 12.1677 4.17886 -1.9926      2.45065  -2.4767      2.48376  2.42437     321.767     6.42605     141.767     
1 1 1 9  25 36 o 17.0082 5.32083 1.31116      2.65656  2.2035       2.84204  7.03248     127.412     8.42559     307.412     
1 1 1 9  25 37 o 22.5069 6.18957 6.22563      3.31396  4.16326      2.8511   13.9173     231.703     1.85303     51.7029     
1 1 1 9  25 38 o 14.0614 4.80574 -0.970666    3.11052  -2.04058     3.22649  0.825921    91.2451     2.76416     271.245     
1 1 1 9  25 39 f 15.6447 4.99173 -0.322728    2.56754  2.27676      2.63121  7.39484     340.511     0           0           
1 1 1 9  25 40 o 17.0896 5.28124 1.26466      2.67449  3.51772      2.6925   5.74729     87.5107     9.99879     267.511     
1 1 1 9  25 41 o 20.98   5.95096 5.88433      3.04361  4.28857      2.82949  11.7932     114.578     5.80587     294.578     
1 1 1 9  25 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  26 0  o 14.4984 5.28663 1.80784      1.51202  1.80784      1.51202  1.55539     270         3.28157     90          
1 1 1 9  26 1  o 28.5996 4.11574 4.26022      1.74928  5.74952      1.7522   24.205      28.8121     8.69922     28.8121     
1 1 1 9  26 2  o 26.0597 4.43988 5.57982      1.86797  2.96626      1.7252   18.562      190.231     0.740437    190.231     
1 1 1 9  26 3  o 87.1978 2.8023  40.2331      3.93461  46.233       3.50782  78.2945     335.081     12.9586     335.081     
1 1 1 9  26 4  o 49.2943 3.78004 16.9829      2.88036  11.9391      2.71109  50.0761     28.8037     22.0699     28.8037     
1 1 1 9  26 5  o 18.0285 4.96641 1.88305      1.56068  0.769457     2.6066   5.756       332.232     2.41044     152.232     
1 1 1 9  26 6  f 30.9814 4.86335 4.1906       2.28585  8.14017      2.31189  22.8245     332.898     0           0           
1 1 1 9  26 7  o 89.0156 2.9623  41.5607      3.91997  49.2187      4.17355  98.0627     191.837     50.2668     191.837     
1 1 1 9  26 8  o 31.0756 5.05365 6.4315       2.37702  5.93963      2.35999  21.2199     313.191     4.36852     133.191     
1 1 1 9  26 9  o 27.0808 5.43412 3.38368      2.70805  6.07206      2.27394  19.5424     279.235     1.6507      279.235     
1 1 1 9  26 10 o 36.7358 4.72334 9.12658      2.61541  7.76516      2.52911  29.6433     263.433     2.77007     263.433     
1 1 1 9  26 11 o 56.9911 3.41618 18.3567      2.96781  19.5753      2.9689   57.9644     28.2634     24.6561     28.2634     
1 1 1 9  26 12 o 44.2897 4.12757 10.8717      2.68288  12.8996      2.80065  33.477      274.23      3.37858     94.2298     
1 1 1 9  26 13 o 28.0739 5.26224 3.40577      2.31457  7.05246      2.48094  16.281      316.726     8.82753     136.726     
1 1 1 9  26 14 o 58.1683 3.77045 20.431       3.11354  19.9109      3.53678  46.7146     294.284     0.606231    114.284     
1 1 1 9  26 15 o 25.9527 5.69138 4.71659      2.35676  4.44529      2.68606  19.2612     316.089     7.21902     316.089     
1 1 1 9  26 16 o 48.6341 4.01501 15.262       3.03541  13.6195      2.86502  53.727      233.559     31.8766     233.559     
1 1 1 9  26 17 o 56.0537 3.58767 19.6021      3.05836  18.0451      3.06244  60.1366     283.243     31.0462     283.243     
1 1 1 9  26 18 o 24.2012 5.61835 4.71825      2.39435  3.39635      2.51176  16.9394     187.901     1.99567     187.901     
1 1 1 9  26 19 o 30.4165 5.65971 7.24599      2.70683  5.91002      2.68752  26.3715     260.719     8.55624     260.719     
1 1 1 9  26 20 o 13.9288 4.50806 -0.344956    2.20677  -0.913309    2.14358  0.928139    85.3597     14.6298     265.36      
1 1 1 9  26 21 o 26.3544 6.39044 4.05021      3.32335  6.74517      3.14451  8.56034     286.209     23.2831     106.209     
1 1 1 9  26 22 o 16.5292 5.10045 1.44627      2.2284   -0.498277    2.85415  8.36965     96.643      1.46719     276.643     
1 1 1 9  26 23 o 22.9109 5.79151 4.68617      2.61251  3.02998      2.64236  15.4745     51.7095     1.39817     231.71      
1 1 1 9  26 24 o 21.4601 5.60995 3.52817      2.43961  3.092        2.47659  14.8777     101.456     5.72776     101.456     
1 1 1 9  26 25 f 13.4697 4.41633 -1.93749     2.17839  0.0730342    2.24219  2.25974     250.303     0           0           
1 1 1 9  26 26 o 18.3564 5.30841 2.59033      2.3734   1.41554      2.44151  5.84648     326.202     13.4431     146.202     
1 1 1 9  26 27 o 23.2222 5.62817 6.00557      2.54915  2.1027       2.79356  15.4054     304.354     2.42552     124.354     
1 1 1 9  26 28 o 24.4383 6.8555  5.60257      3.63159  6.11937      4.06435  18.0315     275.447     1.20498     275.447     
1 1 1 9  26 29 o 19.5854 5.57705 2.49604      2.53214  3.24919      2.63985  4.95394     340.689     19.1366     160.689     
1 1 1 9  26 30 o 30.5282 5.87433 8.75165      2.78799  6.765        2.97595  20.8234     213.369     5.10655     33.3686     
1 1 1 9  26 31 o 18.3399 5.5058  2.13969      2.63718  2.62438      2.77515  10.7425     188.586     3.21801     188.586     
1 1 1 9  26 32 o 20.132  5.70038 4.21733      2.75975  2.61234      2.65136  13.8174     135.731     2.93886     135.731     
1 1 1 9  26 33 o 11.4865 3.98166 -3.44814     2.33024  -2.09888     2.43756  1.65332     60.5742     5.3968      240.574     
1 1 1 9  26 34 o 17.3291 5.19325 4.09003      2.62481  -1.28305     2.74317  7.44053     52.9041     1.54872     52.9041     
1 1 1 9  26 35 o 29.4578 6.32289 9.57039      3.06288  7.26223      3.39643  23.3849     70.389      5.66351     70.389      
1 1 1 9  26 36 o 16.21   5.24856 2.35316      3.14987  -0.0698466   2.74293  1.38204     18.4673     1.15981     198.467     
1 1 1 9  26 37 o 14.666  4.94715 0.520187     3.04115  -1.45462     3.23988  1.04374     247.12      1.03812     67.1199     
1 1 1 9  26 38 o 13.6991 4.61165 0.723634     2.70372  -1.42897     2.67709  2.39269     9.12836     9.74126     189.128     
1 1 1 9  26 39 o 15.1422 4.86495 3.27043      2.6373   -2.29114     2.72661  7.17645     105.696     1.3072      285.696     
1 1 1 9  26 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  27 0  o 79.3328 2.72989 35.2747      3.31685  35.2747      3.31685  87.8661     90          45.1305     90          
1 1 1 9  27 1  o 26.3669 4.81159 2.57039      1.86829  6.58592      2.24754  17.8549     219.738     0.720951    39.738      
1 1 1 9  27 2  o 60.0691 3.20913 19.2682      2.93897  22.7449      2.93458  57.4027     215.139     18.7435     215.139     
1 1 1 9  27 3  o 24.6047 4.9169  3.05297      2.12009  4.70969      1.87657  16.365      13.7735     1.02233     13.7735     
1 1 1 9  27 4  o 73.4324 3.24683 25.3198      3.69494  37.9471      3.39627  71.9009     267.642     25.2645     267.642     
1 1 1 9  27 5  o 42.3058 4.79515 10.6013      2.60078  12.0488      3.40868  42.7927     149.062     21.5775     149.062     
1 1 1 9  27 6  o 52.4921 3.83416 15.5995      3.04742  17.5051      3.05105  52.1381     208.194     21.4987     208.194     
1 1 1 9  27 7  o 28.0432 5.4518  4.59566      2.46185  6.01903      2.43082  20.9474     249.046     2.79013     249.046     
1 1 1 9  27 8  o 44.1556 4.83344 10.1236      3.31672  14.7986      2.77377  30.4563     173.489     8.81471     353.489     
1 1 1 9  27 9  o 18.2556 5.40905 1.93474      2.48671  0.389682     2.71959  3.90751     107.222     0.174581    287.222     
1 1 1 9  27 10 o 23.152  5.47255 4.37574      2.35702  2.79342      2.29146  9.9512      132.613     12.8989     312.613     
1 1 1 9  27 11 o 79.7552 3.03785 38.0707      3.72069  36.1076      3.71154  77.3001     48.4202     25.57       48.4202     
1 1 1 9  27 12 o 23.0965 5.50839 3.36512      2.28996  3.93644      2.35986  13.3343     315.291     4.75628     135.291     
1 1 1 9  27 13 o 70.9377 3.16727 28.6603      3.44819  30.7186      3.43145  73.6263     286.271     33.2004     286.271     
1 1 1 9  27 14 o 18.3791 5.15425 2.74309      2.25641  0.726477     2.20744  8.81695     8.32916     2.97946     188.329     
1 1 1 9  27 15 o 31.7463 5.29442 7.38009      2.53538  6.59957      2.56139  27.2203     52.1334     7.12774     52.1334     
1 1 1 9  27 16 o 52.3526 3.87495 15.7897      3.06429  18.2876      3.07231  49.9262     236.029     16.5541     236.029     
1 1 1 9  27 17 o 28.0427 5.44359 7.23016      2.48461  4.1687       2.53072  23.8648     220.138     6.79206     220.138     
1 1 1 9  27 18 o 30.4952 5.88629 6.04993      2.7212   7.97505      2.98345  28.6549     211.001     12.8962     211.001     
1 1 1 9  27 19 o 14.088  4.60858 -0.113917    2.30155  -1.71114     2.47579  2.92441     108.69      10.5728     288.69      
1 1 1 9  27 20 o 19.4785 5.57318 1.31892      2.91146  3.08123      2.45409  11.2872     99.973      2.5964      99.973      
1 1 1 9  27 21 o 17.1308 5.4912  -0.710708    2.28342  2.49609      3.75241  6.11164     329.627     8.5945      149.627     
1 1 1 9  27 22 o 39.8837 5.39328 10.6815      3.07755  12.3475      3.30814  36.746      71.2419     12.443      71.2419     
1 1 1 9  27 23 o 27.8889 6.09407 5.9897       3.17884  6.74337      2.67972  20.7541     6.59155     0.738571    6.59156     
1 1 1 9  27 24 o 27.9845 5.8713  5.49147      2.77207  7.20107      2.72086  24.813      110.101     9.45717     110.101     
1 1 1 9  27 25 o 15.3269 4.83348 1.58544      2.28162  -1.29613     2.5825   6.75546     292.162     6.11704     112.162     
1 1 1 9  27 26 o 14.9938 4.91515 -1.5647      2.67007  0.886631     2.78893  4.22981     290.663     1.04228     290.663     
1 1 1 9  27 27 o 13.2863 4.55521 -2.07792     3.11049  -2.4029      2.6404   4.09262     155.378     2.47679     335.378     
1 1 1 9  27 28 o 18.921  5.46239 1.31132      2.54551  3.93401      2.63781  10.7673     353.437     3.14175     173.437     
1 1 1 9  27 29 o 13.1146 4.41682 -1.01058     2.35474  -1.47018     2.56888  3.47067     220.848     5.62592     40.8475     
1 1 1 9  27 30 o 17.4521 5.35635 -0.140079    2.73533  3.67393      2.83764  4.95668     299.899     2.05138     299.899     
1 1 1 9  27 31 f 22.2331 5.86347 5.51326      2.71494  3.67722      2.78163  10.7746     182.885     0           0           
1 1 1 9  27 32 o 20.132  5.7425  3.33415      2.71437  4.05938      2.77977  6.18781     213.612     2.5627      213.612     
1 1 1 9  27 33 o 12.4221 4.23557 -2.84327     2.42265  -0.717388    2.44253  0.0451232   45.244      3.41906     45.2441     
1 1 1 9  27 34 o 17.0777 5.22013 4.21441      2.74778  -1.71247     2.88211  1.22077     356.63      0.226803    176.63      
1 1 1 9  27 35 o 13.5839 4.6202  -1.49048     3.08893  -0.386527    2.63678  2.03976     292.127     4.80655     112.127     
1 1 1 9  27 36 o 14.4793 4.92894 -1.7015      3.15952  1.29288      3.33127  4.4708      301.967     6.05885     121.967     
1 1 1 9  27 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  28 0  o 8.70573 4.19583 -0.75957     1.73533  -0.75957     1.73533  1.01236     90.0002     3.59319     90.0002     
1 1 1 9  28 1  o 27.2616 5.14411 4.41687      2.21601  5.79205      2.21527  23.0916     216.843     9.87404     216.843     
1 1 1 9  28 2  o 9.59726 3.31711 -2.54831     1.72173  -2.56385     1.50139  2.42473     199.109     10.2296     199.109     
1 1 1 9  28 3  o 18.2129 4.71796 2.01561      1.7602   1.98714      1.69818  8.1364      331.788     5.55076     151.788     
1 1 1 9  28 4  o 23.0869 5.63492 1.61705      2.86453  5.2945       2.48551  14.2575     347.213     2.83806     167.213     
1 1 1 9  28 5  o 34.7445 4.96828 11.5183      2.60537  5.11717      2.57011  27.7647     184.816     2.72406     184.816     
1 1 1 9  28 6  o 19.2499 5.28157 0.849293     2.19795  3.40592      2.4232   10.5038     211.415     1.04757     31.4151     
1 1 1 9  28 7  o 24.3366 5.42335 3.0916       2.31211  5.28904      2.34825  17.9542     129.091     2.77412     129.091     
1 1 1 9  28 8  o 37.3576 4.79758 10.2031      2.65507  8.36943      2.64917  36.0946     280.382     15.6156     280.382     
1 1 1 9  28 9  o 12.7344 4.17076 0.0772217    1.96394  -2.6613      2.0587   1.05666     149.359     1.36661     329.359     
1 1 1 9  28 10 o 19.0712 5.29539 2.15532      2.2376   2.28247      2.30659  9.39395     298.153     6.78848     118.153     
1 1 1 9  28 11 o 18.2465 4.92837 -1.13893     2.27273  3.80639      2.21175  11.0711     0.479413    1.52055     0.479413    
1 1 1 9  28 12 o 45.879  4.32758 13.9428      2.92651  13.2704      3.02717  42.66       3.19217     13.4165     3.19217     
1 1 1 9  28 13 o 43.0509 4.44683 13.3322      2.87609  10.9312      2.82131  40.5494     226.448     14.2231     226.448     
1 1 1 9  28 14 o 15.5149 4.85669 0.860149     2.18752  -0.278216    2.45835  5.60647     57.2313     5.40157     237.231     
1 1 1 9  28 15 o 29.9994 5.93309 6.66135      3.16994  7.15712      2.59401  25.1473     289.842     6.93056     289.842     
1 1 1 9  28 16 f 37.9755 5.53664 11.4749      3.42276  9.54248      2.83986  22.7317     139.394     0           0           
1 1 1 9  28 17 o 21.4717 5.6933  1.8918       2.70549  4.7118       2.626    12.3666     187.756     3.32237     7.75596     
1 1 1 9  28 18 o 23.6059 5.86013 3.68486      2.63307  5.16882      2.69076  17.8301     121.052     7.93596     121.052     
1 1 1 9  28 19 o 21.4205 5.92404 3.46197      3.15454  3.6448       2.57171  14.7428     157.999     2.55786     157.999     
1 1 1 9  28 20 o 22.0407 6.20237 4.82577      3.14137  3.24683      3.24961  12.7714     123.325     5.49421     303.325     
1 1 1 9  28 21 o 17.6044 5.61018 1.11976      2.76742  1.45395      3.65545  10.6677     268.049     3.1688      268.049     
1 1 1 9  28 22 o 15.9601 4.97479 1.91143      2.42137  -0.41612     2.47088  7.57885     96.4184     4.84919     276.418     
1 1 1 9  28 23 o 19.4443 5.49755 1.847        2.52212  3.79165      2.55761  10.6694     71.3668     5.21361     251.367     
1 1 1 9  28 24 o 22.4301 5.76804 5.55018      2.64452  3.03065      2.7079   15.2191     349.159     0.489074    169.159     
1 1 1 9  28 25 f 24.8797 6.68521 7.64262      3.71946  5.2798       3.38539  9.5944      201.778     0           0           
1 1 1 9  28 26 o 12.561  4.26341 -3.06473     2.32795  -0.407209    2.46177  2.54762     188.495     6.83676     8.49456     
1 1 1 9  28 27 o 17.8928 5.27064 -0.912322    2.59547  4.5997       2.7266   7.44827     245.167     3.03063     245.167     
1 1 1 9  28 28 o 29.0018 6.18365 9.56467      3.05112  6.33579      3.17082  23.8403     25.3883     6.52483     25.3883     
1 1 1 9  28 29 o 15.8032 5.10246 -1.43992     2.61775  2.81268      3.005    4.59855     268.1       4.50252     88.1003     
1 1 1 9  28 30 o 15.7898 5.10891 1.69838      2.63615  -0.452775    3.11361  2.82224     249.719     8.69817     69.7188     
1 1 1 9  28 31 o 18.2642 5.47554 3.69303      2.71389  1.64449      2.72904  4.23959     243.251     0.361255    63.2505     
1 1 1 9  28 32 o 16.1111 5.12895 0.944783     2.68332  2.16198      2.69163  1.78454     284.039     0.394197    104.039     
1 1 1 9  28 33 o 17.6776 5.34747 5.39893      2.86719  -1.01939     2.98991  5.45592     263.693     1.59111     263.693     
1 1 1 9  28 34 o 15.3272 4.98924 2.30054      2.76709  0.0266106    2.72544  5.73008     300.353     0.889796    300.353     
1 1 1 9  28 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  29 0  o 85.7211 2.76139 41.733       3.62779  41.733       3.62779  85.1734     90          32.7609     90          
1 1 1 9  29 1  o 33.3138 4.6681  7.09493      2.29391  7.82577      2.32605  32.2971     2.59166     15.9562     2.59166     
1 1 1 9  29 2  o 64.409  3.38605 26.9249      3.27584  23.5499      3.36794  61.3739     79.6724     21.0978     79.6724     
1 1 1 9  29 3  o 15.8096 5.46982 -1.809       2.09743  -0.372623    5.42967  2.18861     137.478     0.0996079   317.478     
1 1 1 9  29 4  o 23.9464 6.35868 6.54288      3.21384  1.60009      3.93379  13.5179     251.675     6.64611     71.6753     
1 1 1 9  29 5  o 28.6814 5.35528 8.40901      2.58574  3.74047      2.51111  22.8667     200.67      4.44858     200.67      
1 1 1 9  29 6  o 17.9744 5.17717 2.2898       2.2551   1.25648      2.29282  6.32609     147.627     10.7083     327.627     
1 1 1 9  29 7  o 55.6161 3.79272 18.5235      3.20047  20.3052      3.20804  52.2316     91.334      17.5113     91.334      
1 1 1 9  29 8  o 13.289  4.35273 -0.321567    2.12198  -1.30554     2.12256  1.72117     44.5968     8.67747     224.597     
1 1 1 9  29 9  o 26.5954 5.44415 3.35139      2.48058  7.28958      2.52796  20.667      30.6345     4.84156     30.6345     
1 1 1 9  29 10 o 24.5526 5.52005 2.78539      2.4665   6.34039      2.51943  15.0955     196.531     4.1352      16.5308     
1 1 1 9  29 11 o 17.1499 5.11209 2.05424      2.32811  0.786249     2.32975  7.44377     133.76      3.34392     313.76      
1 1 1 9  29 12 o 46.9903 4.28158 13.5694      3.01365  15.6029      3.01927  44.7934     246.075     17.1552     246.075     
1 1 1 9  29 13 o 38.5266 5.00459 12.2232      2.85037  8.85563      2.83607  28.9613     20.2314     1.15937     200.231     
1 1 1 9  29 14 o 21.2395 5.60348 4.29247      2.51345  2.61673      2.48239  11.4279     252.796     6.80909     72.7963     
1 1 1 9  29 15 o 17.8318 5.18248 -0.447971    2.53382  3.5128       2.43739  8.44531     72.2478     6.97668     252.248     
1 1 1 9  29 16 o 22.0173 5.61153 2.11199      2.55406  5.49726      2.6019   16.765      302.884     3.57516     302.884     
1 1 1 9  29 17 o 17.5317 5.28057 2.6731       2.51216  0.629997     2.62088  8.391       145.116     6.54615     325.116     
1 1 1 9  29 18 o 15.4155 4.88025 1.08557      2.36937  0.0804802    2.42721  7.17111     342.91      0.277288    162.91      
1 1 1 9  29 19 o 20.5998 6.07076 4.71058      3.28415  2.41341      3.19371  13.782      241.392     1.62        241.392     
1 1 1 9  29 20 o 17.5194 5.48859 2.6711       2.89243  0.441087     3.11741  7.46993     253.733     2.39674     253.733     
1 1 1 9  29 21 o 17.4138 5.31451 2.57389      2.66595  1.14114      2.56296  6.10778     59.2459     2.21325     59.2459     
1 1 1 9  29 22 o 24.9272 6.02934 4.21557      3.1869   7.17717      2.78061  17.9048     272.763     1.10571     272.763     
1 1 1 9  29 23 o 21.3489 6.06109 2.41668      3.26108  6.06851      3.14944  14.795      306.759     5.99008     306.759     
1 1 1 9  29 24 o 18.398  5.76013 2.22831      3.22034  2.93833      3.24342  8.67579     284.868     6.09891     104.868     
1 1 1 9  29 25 o 30.9114 6.1539  8.52337      3.13253  8.99137      2.98808  27.4865     21.9156     12.7545     21.9156     
1 1 1 9  29 26 o 15.1762 4.94621 -0.827191    2.6695   1.53218      2.75028  2.86975     146.824     4.52344     326.824     
1 1 1 9  29 27 o 33.7583 5.94143 7.28581      3.16618  13.3514      3.27369  24.1258     166.743     0.202372    166.743     
1 1 1 9  29 28 o 22.6806 5.93341 7.47304      3.03889  2.62979      2.88497  13.1297     110.697     2.71044     110.697     
1 1 1 9  29 29 o 16.427  5.14466 3.27919      2.66206  -0.00250722  2.69979  5.17712     203.09      2.73351     23.0902     
1 1 1 9  29 30 o 14.4156 4.77274 -0.0563239   2.60504  1.03684      2.7017   2.99739     124.227     1.38907     304.227     
1 1 1 9  29 31 o 26.3262 6.53515 7.82469      3.56432  8.92013      3.16104  19.0053     281.853     1.15629     281.853     
1 1 1 9  29 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  30 0  o 25.9997 5.98369 5.29798      2.11997  5.29798      2.11997  9.66682     89.9998     7.9571      89.9998     
1 1 1 9  30 1  o 19.4547 5.07942 2.94561      2.02347  2.45901      2.00562  12.287      52.571      0.0593021   52.5714     
1 1 1 9  30 2  o 22.8058 5.16866 1.25552      2.82477  5.79304      2.13281  17.496      3.17841     4.69955     3.17841     
1 1 1 9  30 3  o 41.7206 5.47047 11.3316      3.73567  14.464       2.83378  41.0022     294.346     19.1368     294.346     
1 1 1 9  30 4  o 18.9976 5.8897  -3.42339     3.65765  5.26798      3.69563  11.5313     333.512     3.32211     333.512     
1 1 1 9  30 5  o 18.5438 5.49559 3.32116      2.7236   0.83023      2.69774  8.58955     160.374     7.76042     340.374     
1 1 1 9  30 6  o 33.7468 5.64876 5.92206      2.80986  12.303       3.17565  29.0279     252.16      7.79497     252.16      
1 1 1 9  30 7  f 14.7656 4.71327 0.143299     2.27798  0.309689     2.27498  9.78394     199.927     0           0           
1 1 1 9  30 8  o 15.7812 4.88134 2.00236      2.32535  -0.652111    2.34672  7.8022      272.025     1.57745     272.025     
1 1 1 9  30 9  o 18.055  5.29178 2.70436      2.41539  1.42656      2.45621  11.4655     349.691     2.63463     349.691     
1 1 1 9  30 10 o 26.3762 5.83868 4.54707      2.78858  7.1288       2.67268  16.716      323.327     5.09214     143.327     
1 1 1 9  30 11 o 22.6625 5.69531 2.83284      2.62485  5.63657      2.59549  14.7496     238.955     2.06743     58.9548     
1 1 1 9  30 12 o 23.2211 5.71443 6.01426      2.62756  3.01211      2.6181   14.708      307.418     3.1903      127.418     
1 1 1 9  30 13 o 18.3099 5.22037 4.04438      2.46049  -0.0101045   2.47626  10.7387     343.036     0.585482    163.036     
1 1 1 9  30 14 o 42.8749 4.86953 15.0182      3.09408  11.7472      3.07073  36.7915     162.032     8.40181     162.032     
1 1 1 9  30 15 o 32.6452 5.6918  7.51828      2.85169  9.94319      2.88188  19.3332     294.652     10.213      114.652     
1 1 1 9  30 16 o 37.957  5.66352 10.0116      3.18536  13.1897      3.23941  29.5891     197.559     2.17009     197.559     
1 1 1 9  30 17 o 16.5631 5.13706 -0.00731665  2.64034  2.53612      2.54227  7.39672     332.268     4.44237     152.268     
1 1 1 9  30 18 o 16.6398 5.27651 1.13904      3.0951   1.61765      2.55469  4.73944     253.18      1.29293     253.18      
1 1 1 9  30 19 o 13.8641 4.59607 1.23064      2.42242  -4.94376     3.10228  4.15495     138.41      3.42791     318.41      
1 1 1 9  30 20 o 41.5088 5.20981 16.5506      3.14864  10.3521      3.15126  40.0933     53.2728     18.8063     53.2728     
1 1 1 9  30 21 o 17.6051 5.34124 1.25866      2.59237  3.1506       2.66525  4.76635     67.0053     0.385724    67.0053     
1 1 1 9  30 22 o 18.2718 5.68306 1.92372      3.11063  3.21564      3.10794  6.56517     191.169     3.03214     11.1693     
1 1 1 9  30 23 o 24.6066 5.52158 8.86647      2.82078  1.72411      2.86199  14.8957     359.755     5.3513      359.755     
1 1 1 9  30 24 o 15.14   4.9339  0.665586     2.59197  0.504194     2.7437   2.18496     83.6548     7.00833     263.655     
1 1 1 9  30 25 o 21.1288 5.95845 5.79772      2.97342  3.50191      2.99979  10.9524     283.099     2.33002     283.099     
1 1 1 9  30 26 o 13.5808 4.5725  1.42955      2.70866  -3.15592     2.70002  1.05125     129.351     1.22586     309.351     
1 1 1 9  30 27 o 17.2439 5.38478 -0.00975414  3.29558  4.37891      2.82682  6.28109     240.817     1.66215     240.817     
1 1 1 9  30 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  30 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  31 0  o 40.9843 4.32984 10.7926      2.55307  10.7926      2.55307  36.4725     90          8.92641     90          
1 1 1 9  31 1  o 20.4459 5.37702 2.62966      2.46655  4.00149      2.18859  13.768      136.328     3.44655     136.328     
1 1 1 9  31 2  o 45.7464 4.33017 14.2371      2.86726  14.6968      3.07641  42.9193     144.62      16.8289     144.62      
1 1 1 9  31 3  f 18.5014 5.22102 5.06528      2.68201  -1.26164     2.46337  3.95938     17.4946     0           0           
1 1 1 9  31 4  o 18.8228 5.9446  3.95296      3.86533  1.19366      3.12479  9.12388     271.876     5.39309     91.8756     
1 1 1 9  31 5  o 25.7639 6.35095 7.42607      3.15045  5.28564      3.14021  15.3533     359.701     5.69843     179.701     
1 1 1 9  31 6  o 32.4826 6.01554 13.2506      3.38586  5.68108      3.28574  29.4861     153.536     12.9694     153.536     
1 1 1 9  31 7  o 21.0391 5.90869 1.79326      3.04041  5.70845      3.02067  13.8303     97.0062     5.76085     97.0062     
1 1 1 9  31 8  o 55.1083 4.5075  22.4174      3.50393  20.3898      3.91572  52.6191     132.745     21.3782     132.745     
1 1 1 9  31 9  o 16.5864 5.13252 1.81185      2.48527  1.15717      2.51635  6.89342     26.2613     0.897877    26.2613     
1 1 1 9  31 10 o 28.378  6.03441 7.89486      2.8782   6.58705      2.852    21.0302     152.698     1.8897      152.698     
1 1 1 9  31 11 o 15.5374 4.94586 1.77811      2.55308  -0.194256    2.47701  3.7435      337.053     11.8551     157.053     
1 1 1 9  31 12 o 16.9252 5.20381 2.32042      2.5394   1.21604      2.54898  4.4245      131.397     1.41911     131.397     
1 1 1 9  31 13 o 19.8613 5.60889 2.0527       2.66723  4.63757      2.68171  12.0824     112.839     4.4873      112.839     
1 1 1 9  31 14 f 22.9713 5.93665 5.85353      2.78507  4.14078      2.75883  13.4022     336.233     0           0           
1 1 1 9  31 15 o 16.9358 5.23641 2.08669      2.5919   1.59736      2.59782  6.32101     358.477     2.96073     178.477     
1 1 1 9  31 16 o 19.5037 5.72811 3.44994      2.82797  3.31992      2.83483  1.00143     33.5152     0.312149    33.5152     
1 1 1 9  31 17 o 17.3424 5.46711 2.58865      3.24848  1.44941      2.64743  4.88238     305.708     4.20327     125.708     
1 1 1 9  31 18 o 17.4474 5.58355 1.08396      3.21495  2.78753      3.25675  3.22082     208.217     2.40675     28.2173     
1 1 1 9  31 19 o 28.2097 6.35803 9.24479      3.01289  6.89327      3.59473  18.1719     282.282     0.980085    102.282     
1 1 1 9  31 20 o 23.6062 6.36585 4.24003      3.35252  8.06181      3.3719   14.123      228.292     4.13007     228.292     
1 1 1 9  31 21 o 19.4539 5.92812 4.98104      3.25718  3.09196      3.25783  7.63545     348.418     8.10024     168.418     
1 1 1 9  31 22 o 15.2974 5.01168 1.73466      2.89395  0.548956     2.71151  2.79691     249.696     0.739356    69.696      
1 1 1 9  31 23 o 16.1124 5.17031 0.942946     2.71534  2.79576      2.87218  6.57055     5.00994     4.21255     185.01      
1 1 1 9  31 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  31 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  32 0  o 13.2719 5.87849 1.62489      2.4832   1.62489      2.4832   2.46592     90          7.25191     270         
1 1 1 9  32 1  o 15.3771 4.76683 1.2993       2.13124  0.960548     2.19555  2.63732     226.543     0.699389    46.5426     
1 1 1 9  32 2  o 22.9827 4.86902 -2.53929     2.74707  9.02399      2.70565  6.68494     51.5584     4.40115     51.5584     
1 1 1 9  32 3  o 17.9004 5.59836 2.74354      3.42597  2.038        2.66463  7.04817     229.767     5.5179      49.7668     
1 1 1 9  32 4  o 18.7108 5.77592 0.349834     3.36545  4.76342      3.26066  7.536       274.658     6.42345     94.6578     
1 1 1 9  32 5  o 38.6133 5.53004 14.2653      3.16835  10.125       3.18071  33.8695     177.018     12.5456     177.018     
1 1 1 9  32 6  o 17.4028 5.42054 2.43687      3.00568  1.74708      2.63468  3.56269     96.4896     0.219032    276.49      
1 1 1 9  32 7  o 18.8146 5.68828 4.63951      3.06036  0.862811     3.04859  5.95703     310.893     0.217102    310.893     
1 1 1 9  32 8  o 23.5034 6.38189 6.3796       3.25107  5.26514      3.26926  13.536      5.11815     3.87474     5.11815     
1 1 1 9  32 9  o 17.5613 5.31912 -1.7068      2.6252   4.94839      2.99401  5.05055     246.113     5.45944     66.1126     
1 1 1 9  32 10 o 31.3586 5.75397 5.67633      3.06627  12.0089      3.02876  24.2971     349.821     7.44741     349.821     
1 1 1 9  32 11 o 15.6245 5.03243 0.623534     2.56962  1.22497      2.75867  1.55271     338.598     3.58531     158.598     
1 1 1 9  32 12 o 17.0036 5.28469 2.0034       2.67425  1.89546      2.66746  3.80831     70.8496     4.32301     250.85      
1 1 1 9  32 13 o 20.2739 5.74523 4.87991      2.78735  2.85759      2.76559  8.95375     305.212     2.09381     125.212     
1 1 1 9  32 14 o 15.1552 4.92348 0.505742     2.61119  1.0047       2.64294  2.4686      179.612     8.11437     359.612     
1 1 1 9  32 15 o 15.2148 4.97203 1.44375      2.74068  0.254092     2.7494   3.04606     305.485     3.38939     125.485     
1 1 1 9  32 16 o 12.5464 4.29956 -1.32807     2.60385  -1.46526     2.54165  0.962103    262.28      5.13198     82.28       
1 1 1 9  32 17 o 14.6051 4.88208 2.96504      3.14849  -2.6511      2.63697  3.61207     261.31      2.45096     81.3101     
1 1 1 9  32 18 o 17.2762 5.53696 4.48277      3.23495  0.526633     3.37762  7.97198     248.525     3.37506     68.5254     
1 1 1 9  32 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  32 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  33 0  o 14.6566 6.40162 2.53242      2.84285  2.53242      2.84285  3.07169     90.0001     6.19258     270         
1 1 1 9  33 1  o 15.7094 5.11283 -4.14626     3.02046  4.10354      3.15531  1.91217     198.875     1.14327     18.8748     
1 1 1 9  33 2  o 16.3218 5.24681 -1.83669     3.53099  3.36481      2.84288  3.59011     230.415     1.78731     50.4154     
1 1 1 9  33 3  o 12.6582 4.34311 -2.76836     2.6665   -0.611874    2.65109  0.538182    252.208     4.24569     72.2077     
1 1 1 9  33 4  o 14.1018 4.80741 1.25233      3.16594  -3.58009     3.16918  1.80607     305.121     3.57122     125.121     
1 1 1 9  33 5  o 15.4476 5.00015 2.90518      2.81374  -1.09267     2.70516  3.07737     335.766     1.95819     155.766     
1 1 1 9  33 6  o 12.5746 4.29386 0.467061     2.53454  -4.06745     2.62406  0.86168     297.596     5.86913     117.596     
1 1 1 9  33 7  o 15.8757 5.16546 1.71868      3.0444   1.43893      2.76648  4.85183     33.8176     5.03122     213.818     
1 1 1 9  33 8  o 13.4216 4.61003 -1.03854     2.94059  -1.2182      3.06747  2.2354      347.086     4.79212     167.086     
1 1 1 9  33 9  o 24.188  6.56053 8.78614      3.47737  6.38132      3.51307  16.2212     29.7747     2.04851     29.7747     
1 1 1 9  33 10 o 17.9463 5.63662 5.29625      3.25978  0.790646     3.25561  8.56709     292.874     3.01442     112.874     
1 1 1 9  33 11 o 17.4666 5.5116  0.97351      2.83074  4.76006      3.25837  8.29358     126.359     1.77114     126.359     
1 1 1 9  33 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  33 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 9  33 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 0  0  o 558.677 3.92205 1700.23      33.734   1700.23      33.734   609.295     360         125.06      360         
1 1 1 10 0  1  o 243.059 2.80755 321.981      10.5019  321.981      10.5019  264.224     270         52.7118     270         
1 1 1 10 0  2  o 437.987 2.44738 1044.81      16.5041  1044.81      16.5041  503.962     1.07888e-06 150.728     1.07888e-06 
1 1 1 10 0  3  f 618.347 2.27229 2082.2       21.6351  2082.2       21.6351  392.478     270         0           0           
1 1 1 10 0  4  o 13.9142 6.02851 0.858334     2.47406  0.858334     2.47406  33.9482     180         69.5558     180         
1 1 1 10 0  5  o 279.76  2.26352 426.348      9.74835  426.348      9.74835  328.852     90          110.52      90          
1 1 1 10 0  6  o 70.4448 3.76264 27.4906      4.02676  27.4906      4.02676  5.94453     180         104.299     180         
1 1 1 10 0  7  o 116.122 3.11241 73.7554      5.54726  73.7554      5.54726  12.8579     270         251.851     270         
1 1 1 10 0  8  o 317.286 2.21261 548.347      10.8081  548.347      10.8081  443.363     6.17264e-08 266.867     6.17264e-08 
1 1 1 10 0  9  o 256.918 2.42491 359.643      9.58972  359.643      9.58972  305.076     90          108.499     90          
1 1 1 10 0  10 o 136.081 2.60897 101.07       5.45802  101.07       5.45802  120.693     0           10.3127     180         
1 1 1 10 0  11 f 10.4939 4.83439 -0.193798    1.89441  -0.193798    1.89441  37.0097     90          0           0           
1 1 1 10 0  12 o 25.1847 6.33216 4.55644      2.23672  4.55644      2.23672  45.6215     7.16396e-06 98.1215     7.16396e-06 
1 1 1 10 0  13 o 698.331 2.31217 2656         24.8628  2656         24.8628  656.816     90          46.4235     270         
1 1 1 10 0  14 o 250.882 2.2542  342.952      8.70551  342.952      8.70551  355.109     180         222.134     180         
1 1 1 10 0  15 o 495.012 2.0816  1334.6       15.866   1334.6       15.866   544.317     270         126.16      270         
1 1 1 10 0  16 o 64.0319 2.51069 22.5382      2.45807  22.5382      2.45807  14.794      0           30.1879     180         
1 1 1 10 0  17 o 74.0802 2.32969 30.0687      2.6456   30.0687      2.6456   43.8631     270         34.7466     90          
1 1 1 10 0  18 o 75.0997 2.31464 30.8964      2.66517  30.8964      2.66517  46.9503     180         10.4605     180         
1 1 1 10 0  19 f 384.767 2.05555 806.52       12.1776  806.52       12.1776  460.201     270         0           0           
1 1 1 10 0  20 o 222.374 2.22762 269.545      7.62462  269.545      7.62462  200.314     180         29.5064     8.62944e-06 
1 1 1 10 0  21 o 59.1486 2.61494 19.2864      2.36016  19.2864      2.36016  22.7573     90          4.12527     90          
1 1 1 10 0  22 o 199.833 1.94784 217.65       5.99137  217.65       5.99137  269.306     8.82551e-07 153.037     8.82551e-07 
1 1 1 10 0  23 o 22.6421 5.19732 3.55726      1.60252  3.55726      1.60252  20.911      90          52.1122     90          
1 1 1 10 0  24 o 57.487  2.51516 18.2164      2.20676  18.2164      2.20676  10.4008     0           84.6525     180         
1 1 1 10 0  25 o 12.4201 4.98237 1.10091      1.47438  1.10091      1.47438  9.73465     270         20.6357     270         
1 1 1 10 0  26 o 431.75  1.94104 1015.7       12.9037  1015.7       12.9037  438.574     5.21801e-10 48.8235     5.218e-10   
1 1 1 10 0  27 o 93.424  2.18566 47.7185      3.13654  47.7185      3.13654  111.568     270         44.8802     270         
1 1 1 10 0  28 o 135.855 2.05043 100.708      4.28513  100.708      4.28513  172.161     180         84.5121     180         
1 1 1 10 0  29 o 41.2281 3.31976 9.62883      2.03706  9.62883      2.03706  13.0004     90          40.9491     270         
1 1 1 10 0  30 f 92.2696 2.22146 46.5659      3.14806  46.5659      3.14806  23.7506     180         0           0           
1 1 1 10 0  31 o 11.599  4.96661 0.694376     1.63668  0.694376     1.63668  17.7885     90          38.9794     90          
1 1 1 10 0  32 o 98.6592 2.50213 53.2954      3.79024  53.2954      3.79024  133.803     180         80.3623     180         
1 1 1 10 0  33 o 147.695 2.30555 119.155      5.23785  119.155      5.23785  106.485     270         66.9418     90          
1 1 1 10 0  34 o 13.2976 5.37411 1.2548       1.73311  1.2548       1.73311  6.58501     360         16.222      360         
1 1 1 10 0  35 o 48.5019 3.43363 13.2586      2.50103  13.2586      2.50103  28.5207     90          33.9408     270         
1 1 1 10 0  36 f 87.7567 2.61409 42.3163      3.51828  42.3163      3.51828  72.6371     180         0           0           
1 1 1 10 0  37 o 35.607  4.81922 7.7021       2.36212  7.7021       2.36212  10.8853     90          44.3115     270         
1 1 1 10 0  38 o 54.7764 3.30114 16.8299      2.73614  16.8299      2.73614  69.9269     360         37.7273     360         
1 1 1 10 0  39 f 12.979  5.20427 1.25258      1.60769  1.25258      1.60769  17.9764     90          0           0           
1 1 1 10 0  40 o 34.2929 4.85291 7.25729      2.27371  7.25729      2.27371  36.6588     180         10.2148     180         
1 1 1 10 0  41 o 105.378 2.5381  61.1726      4.10777  61.1726      4.10777  107.574     270         18.9086     270         
1 1 1 10 0  42 o 19.6359 5.73137 3.04495      1.71833  3.04495      1.71833  9.81205     180         1.96602     360         
1 1 1 10 0  43 o 10.0257 4.54097 0.154224     1.57985  0.154224     1.57985  8.15181     270         26.1144     270         
1 1 1 10 0  44 o 13.7444 5.38832 1.51944      1.67552  1.51944      1.67552  2.07631     4.15306e-10 7.51344     180         
1 1 1 10 0  45 o 16.5905 5.76987 2.34895      1.75682  2.34895      1.75682  7.60244     90          13.4486     270         
1 1 1 10 0  46 o 16.0607 5.71236 2.22732      1.73983  2.22732      1.73983  8.66245     360         6.67193     180         
1 1 1 10 0  47 o 59.1697 2.7433  19.6809      2.47455  19.6809      2.47455  62.5967     270         16.7168     270         
1 1 1 10 0  48 o 10.7719 4.81755 0.420364     1.71251  0.420364     1.71251  0.905107    8.65339e-06 7.10368     8.6534e-06  
1 1 1 10 0  49 o 11.0532 4.90966 0.541989     1.74529  0.541989     1.74529  0.166793    89.9999     2.9927      89.9999     
1 1 1 10 0  50 o 10.7564 4.85279 0.396371     1.78259  0.396371     1.78259  0.146286    360         6.10855     360         
1 1 1 10 0  51 o 12.9119 5.514   1.26073      2.00613  1.26073      2.00613  3.52033     90          2.38801     270         
1 1 1 10 0  52 o 10.6388 4.84298 0.361271     1.82585  0.361271     1.82585  1.39761     180         2.39295     8.66186e-06 
1 1 1 10 0  53 o 11.1814 5.21649 0.118968     2.31206  0.118968     2.31206  1.09136     90          10.982      270         
1 1 1 10 0  54 o 21.9554 6.85275 4.5539       2.43286  4.5539       2.43286  21.9948     180         5.66999     180         
1 1 1 10 0  55 o 12.5794 5.67294 1.04106      2.43307  1.04106      2.43307  4.47063     90          0.667741    90          
1 1 1 10 0  56 o 15.0882 5.92973 2.34609      2.03498  2.34609      2.03498  10.5769     360         2.6655      180         
1 1 1 10 0  57 o 38.2611 4.72429 9.76209      2.52959  9.76209      2.52959  46.5783     90          25.1418     90          
1 1 1 10 0  58 o 11.8352 5.45293 0.802692     2.41121  0.802692     2.41121  1.96043     180         2.34793     8.6515e-06  
1 1 1 10 0  59 f 16.0594 6.1525  2.82605      2.13157  2.82605      2.13157  2.67176     90          0           0           
1 1 1 10 0  60 o 11.869  5.38321 1.13239      2.22973  1.13239      2.22973  0.905143    360         1.51401     180         
1 1 1 10 0  61 o 9.68623 4.64418 -0.112917    2.06957  -0.112917    2.06957  1.89739     270         6.19223     90          
1 1 1 10 1  0  o 258.381 2.2572  363.696      8.9778   363.696      8.9778   265.223     180         24.8177     180         
1 1 1 10 1  1  o 586.036 2.25702 1877.37      20.3677  1863.53      20.3681  553.009     19.1151     34.2249     199.115     
1 1 1 10 1  2  o 53.9722 3.57375 15.0149      2.92086  17.0418      2.9414   6.26333     260.848     28.0145     260.848     
1 1 1 10 1  3  o 178.901 2.35105 172.149      6.46701  176.497      6.48621  171.065     14.3155     19.0541     14.3155     
1 1 1 10 1  4  o 347.358 2.06464 646.848      11.0359  667.425      11.0496  399.79      69.5467     135.432     69.5467     
1 1 1 10 1  5  o 152.857 2.6148  132.837      6.16766  121.901      6.12979  159.886     36.2955     77.1115     36.2955     
1 1 1 10 1  6  o 345.442 2.33968 643.796      12.9745  656.098      11.8819  339.193     347.374     16.2497     347.374     
1 1 1 10 1  7  o 561.507 2.46213 1733.61      21.2985  1701.14      21.2783  548.855     157.741     8.53691     157.741     
1 1 1 10 1  8  o 384.626 2.43233 799.932      14.3978  811.678      14.4142  379.461     349.458     20.2691     349.458     
1 1 1 10 1  9  o 66.9868 4.02584 27.9228      4.51443  21.56        3.72502  33.0412     34.2493     147.094     34.2493     
1 1 1 10 1  10 o 222.658 2.51198 252.841      8.58008  287.849      8.62099  163.201     25.7308     88.3063     205.731     
1 1 1 10 1  11 o 135.058 2.22785 104.672      4.64459  94.1754      4.61398  106.952     261.897     41.0095     261.897     
1 1 1 10 1  12 o 164.652 2.15792 144.578      5.4667   150.791      5.47426  124.256     181.431     44.2926     1.43099     
1 1 1 10 1  13 o 40.7938 3.78828 7.07086      2.16915  11.6851      2.40434  35.3445     181.357     91.7701     181.357     
1 1 1 10 1  14 o 144.583 2.35569 110.667      4.84077  117.161      5.63791  133.479     293.31      19.8724     293.31      
1 1 1 10 1  15 o 107.917 2.47877 65.1005      3.78111  61.9729      4.40479  87.2352     224.917     23.1133     224.917     
1 1 1 10 1  16 o 181.956 2.31495 181.507      5.96934  179.299      6.95905  182.546     171.015     29.2559     171.015     
1 1 1 10 1  17 o 265.509 2.0622  378.578      8.45104  389.629      8.4098   288.436     201.525     72.0876     201.525     
1 1 1 10 1  18 o 100.586 2.10928 53.4871      3.2512   56.8993      3.27408  68.9074     256.317     36.8154     76.3174     
1 1 1 10 1  19 o 264.822 1.91977 375.37       7.8218   388.939      7.83406  275.654     179.48      46.5621     179.48      
1 1 1 10 1  20 o 164.408 2.10218 148.132      5.28155  146.506      5.36178  187.243     91.7409     70.5901     91.7409     
1 1 1 10 1  21 o 55.8804 2.64005 16.7279      2.16171  17.4906      2.355    1.98281     140.059     86.1183     320.059     
1 1 1 10 1  22 f 186.899 1.95998 195.867      5.64455  184.977      5.63406  143.14      164.817     0           0           
1 1 1 10 1  23 o 65.7295 2.44311 25.3143      2.53517  22.0027      2.39186  8.73071     22.4315     132.001     22.4315     
1 1 1 10 1  24 o 279.537 2.0717  440.261      9.53576  412.029      8.28997  301.874     234.084     72.1475     234.084     
1 1 1 10 1  25 o 46.782  2.86888 11.7191      2.07911  12.3629      2.00944  32.5501     33.0931     141.707     33.0931     
1 1 1 10 1  26 o 99.0605 2.14332 53.5569      3.26164  53.5755      3.26959  99.9034     253.884     25.8031     253.884     
1 1 1 10 1  27 o 134.193 2.02898 100.211      4.18461  96.2066      4.19924  117.732     224.91      14.2459     44.9094     
1 1 1 10 1  28 o 102.629 2.14354 57.2429      3.38758  57.7625      3.38011  109.135     59.5007     33.65       59.5007     
1 1 1 10 1  29 o 119.919 2.1685  78.6881      4.10666  78.2669      3.8962   66.5452     261.666     90.3667     81.6661     
1 1 1 10 1  30 o 209.512 1.98371 237.899      6.40112  240.958      6.39859  153.341     339.374     89.0581     159.374     
1 1 1 10 1  31 o 183.103 2.00116 179.724      5.64244  186.131      5.64114  166.755     300.459     10.5639     120.459     
1 1 1 10 1  32 o 70.3403 2.63731 26.6587      2.86057  27.5942      2.83099  45.4494     136.609     34.9314     316.609     
1 1 1 10 1  33 f 131.117 2.35516 98.737       4.76449  89.3665      4.73398  126.82      295.526     0           0           
1 1 1 10 1  34 o 93.5019 2.31257 43.6176      3.3761   52.3108      3.23749  69.4361     171.3       33.1024     351.3       
1 1 1 10 1  35 o 57.1662 3.08958 16.8094      2.80965  19.3572      2.5497   56.0235     236.854     18.7801     236.854     
1 1 1 10 1  36 o 69.5227 3.18361 29.3342      3.39837  24.2533      3.36012  36.3161     218.686     53.3093     38.6863     
1 1 1 10 1  37 o 76.1435 2.69724 35.3623      3.01721  28.7254      3.23305  43.9498     251.338     51.38       71.3375     
1 1 1 10 1  38 o 54.3452 2.93723 15.9113      2.41591  16.8955      2.46234  22.9016     254.11      52.2504     74.1098     
1 1 1 10 1  39 o 45.0692 3.60169 11.2932      2.45441  11.659       2.45677  9.91164     316.768     61.459      136.768     
1 1 1 10 1  40 o 116.723 2.36875 72.727       4.06064  77.7271      4.44619  104.683     318.33      6.98409     138.33      
1 1 1 10 1  41 o 35.0052 3.94197 6.33177      2.03091  7.89061      2.06132  28.4031     287.115     2.76831     107.115     
1 1 1 10 1  42 o 21.1234 4.7023  0.940902     1.82183  3.94979      1.87208  4.74575     49.3181     23.2611     229.318     
1 1 1 10 1  43 o 70.8929 2.41599 27.4984      2.62972  28.401       2.62911  65.7131     194.279     2.28304     194.279     
1 1 1 10 1  44 o 25.6716 4.55015 4.61152      1.81725  3.39253      1.79422  18.451      231.878     4.57355     51.8777     
1 1 1 10 1  45 o 25.3832 4.44327 5.63576      1.82175  2.27544      1.80489  16.8733     205.706     9.19581     25.7055     
1 1 1 10 1  46 o 77.5126 2.52969 35.2121      2.90477  32.3541      3.10056  81.1021     93.5266     21.2835     93.5266     
1 1 1 10 1  47 o 48.8194 2.99766 14.5743      2.24102  12.8233      2.21477  49.0904     296.255     11.6049     296.255     
1 1 1 10 1  48 o 15.9724 4.51931 1.78561      1.73851  -0.120703    1.77894  4.5371      1.39015     2.3708      181.39      
1 1 1 10 1  49 o 24.3002 4.70334 2.5371       1.86859  5.06542      1.89245  19.5819     351.038     2.39949     351.038     
1 1 1 10 1  50 o 27.3563 5.0588  5.50221      2.10616  4.55234      2.22667  23.4765     2.09127     2.69201     2.09128     
1 1 1 10 1  51 o 32.8765 4.64067 7.41367      2.28775  6.82691      2.24656  18.8169     2.63799     19.6627     182.638     
1 1 1 10 1  52 o 27.0184 4.82662 6.01067      2.02543  4.06837      2.0485   27.9115     337.093     12.114      337.093     
1 1 1 10 1  53 o 32.3086 5.13637 7.91016      2.62672  6.89214      2.36152  26.7496     347.678     1.44309     167.678     
1 1 1 10 1  54 o 18.5644 5.18585 -0.0763157   2.3937   3.87194      2.39128  13.9754     306.022     4.33222     306.022     
1 1 1 10 1  55 o 15.4136 4.7135  2.17994      2.15081  -1.2338      2.24914  9.4307      41.9462     3.207       221.946     
1 1 1 10 1  56 o 14.9272 4.711   -0.0235268   2.2734   1.10496      2.17581  6.10101     25.1319     1.77062     25.1319     
1 1 1 10 1  57 o 30.4145 5.44877 9.65199      2.46268  5.67269      3.0271   30.6504     280.607     11.2453     280.607     
1 1 1 10 1  58 o 35.3666 4.73789 8.92846      2.39825  9.65519      2.57392  38.2144     122.764     17.8632     122.764     
1 1 1 10 1  59 o 14.1808 4.54134 0.08422      2.16769  0.761567     2.11392  1.82786     139.053     2.6442      319.053     
1 1 1 10 1  60 o 19.9725 5.29945 5.34673      2.42743  2.03026      2.1989   14.2282     81.1707     1.42242     81.1707     
1 1 1 10 1  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 2  0  o 519.419 2.24186 1469.28      17.93    1469.28      17.93    598.814     2.09948e-06 181.86      2.09948e-06 
1 1 1 10 2  1  o 192.055 2.43452 196.9        7.51158  204.935      6.85821  178.86      310.938     5.71625     310.937     
1 1 1 10 2  2  o 484.54  2.49352 1291.21      20.3983  1266.39      16.6581  471.195     333.775     3.47832     333.776     
1 1 1 10 2  3  o 436.923 2.43806 1044.62      16.3937  1034.92      16.4131  441.571     3.2304      38.9932     3.2304      
1 1 1 10 2  4  o 667.979 2.50184 2466.69      25.7355  2394.24      25.7288  700.847     135.086     102.897     135.086     
1 1 1 10 2  5  o 158.657 2.38047 140.468      5.80997  133.777      5.81887  152.199     133.894     31.9733     133.894     
1 1 1 10 2  6  o 288.474 2.45376 467.634      10.9101  439.125      10.8828  297.931     145.144     49.9821     145.144     
1 1 1 10 2  7  o 264.624 2.74303 386.895      11.1772  376.079      11.1764  205.574     122.798     90.3615     302.798     
1 1 1 10 2  8  o 309.404 2.73087 511.405      12.9926  531.706      13.0268  329.404     95.8186     73.0768     95.8186     
1 1 1 10 2  9  o 178.744 3.05936 168.117      7.7508   180.266      9.06946  125.874     195.61      71.922      15.6102     
1 1 1 10 2  10 o 291.868 2.45684 482.181      11.0604  446.245      11.0132  246.498     223.053     59.7124     43.053      
1 1 1 10 2  11 o 121.553 2.7414  78.5897      4.64776  82.598       5.57965  85.5067     278.452     8.11478     278.452     
1 1 1 10 2  12 o 116.284 2.53041 84.1527      4.14546  63.9684      4.74127  37.7028     135.805     121.579     315.805     
1 1 1 10 2  13 o 212.291 2.11533 240.25       6.3959   250.794      7.41612  186.269     178.783     21.3458     358.783     
1 1 1 10 2  14 o 200.602 1.96409 223.004      6.08345  215.425      6.05004  209.646     126.322     51.6912     126.322     
1 1 1 10 2  15 o 334.245 1.99339 606.856      9.89676  610.33       10.6126  279.169     143.237     82.7449     323.237     
1 1 1 10 2  16 o 43.3804 3.19171 10.5868      2.08024  10.1611      2.11965  49.8425     318.377     155.546     318.377     
1 1 1 10 2  17 o 154.524 2.13484 131.126      5.08267  129.088      5.07686  164.531     167.775     48.8013     167.775     
1 1 1 10 2  18 o 175.047 2.28272 172.415      6.20489  161.668      6.09954  148.885     224.292     30.1206     44.2923     
1 1 1 10 2  19 o 56.4593 2.70287 18.8646      2.17995  16.1154      2.4493   17.3822     218.32      24.7041     38.3196     
1 1 1 10 2  20 f 83.8274 2.26699 37.1189      2.83067  39.6255      3.01199  54.1794     12.7094     0           0           
1 1 1 10 2  21 o 59.1099 2.47407 19.7024      2.25678  18.546       2.22623  30.8165     89.7094     4.79436     269.709     
1 1 1 10 2  22 o 122.51  2.03929 80.4157      3.84177  83.2161      3.85189  82.3815     271.267     61.4045     91.2674     
1 1 1 10 2  23 o 47.6424 2.84364 11.7292      2.00949  13.2467      2.12343  8.93365     144.26      13.3982     324.26      
1 1 1 10 2  24 f 155.794 2.13907 120.005      5.1284   145.29       5.09685  184.93      40.638      0           0           
1 1 1 10 2  25 o 126.217 2.04495 82.3537      3.96569  91.4888      3.9757   118.694     268.771     6.76969     268.771     
1 1 1 10 2  26 o 117.99  2.07369 74.645       3.76337  77.2457      3.76819  74.2411     59.5553     69.9501     239.555     
1 1 1 10 2  27 o 114.747 2.16796 68.6656      3.94117  75.1003      3.69481  145.29      150.895     87.4371     150.895     
1 1 1 10 2  28 o 186.862 2.13296 191.786      6.53974  189.139      5.71282  216.644     148.787     82.6357     148.787     
1 1 1 10 2  29 o 136.653 2.11716 103.657      4.5858   100.09       4.32417  118.109     188.494     18.1888     8.49441     
1 1 1 10 2  30 o 53.7706 2.78285 17.5329      2.28669  14.3162      2.27195  37.9448     157.586     0.964118    337.586     
1 1 1 10 2  31 o 57.5389 2.73334 18.9988      2.4379   17.373       2.37627  39.122      249.772     17.3728     69.7717     
1 1 1 10 2  32 o 35.8267 4.01517 7.25901      2.09694  7.19145      2.18438  17.903      0.496087    95.6517     0.496087    
1 1 1 10 2  33 o 215.583 2.11055 250.165      7.00023  257.544      7.01179  221.478     330.263     37.3889     330.263     
1 1 1 10 2  34 o 160.701 2.14746 140.842      5.30666  141.462      5.32163  131.095     256.811     38.5921     76.8108     
1 1 1 10 2  35 o 77.0614 2.92488 35.0415      3.67801  30.4459      3.2423   57.5734     15.3414     23.9163     195.341     
1 1 1 10 2  36 o 185.023 2.32088 186.579      6.6084   188.583      6.61658  190.367     326.837     35.2761     326.837     
1 1 1 10 2  37 o 85.325  2.42904 36.1607      3.16028  44.0958      3.18807  83.6664     344.762     12.0081     344.762     
1 1 1 10 2  38 o 53.8549 2.95245 15.6537      2.41324  16.5852      2.44466  44.1088     35.7369     7.20816     215.737     
1 1 1 10 2  39 o 71.6397 2.8507  28.7449      3.15117  28.2311      3.11311  67.786      67.4047     4.83454     67.4047     
1 1 1 10 2  40 o 35.451  4.02374 9.00817      2.11308  5.68571      2.06605  32.5142     106.032     5.85839     106.032     
1 1 1 10 2  41 o 62.6709 2.63189 22.2866      2.61741  21.4202      2.43909  67.9287     302.155     22.805      302.155     
1 1 1 10 2  42 o 44.9957 3.31822 12.7418      2.25367  10.3233      2.25249  53.2745     305.199     29.7895     305.199     
1 1 1 10 2  43 o 25.9631 4.76178 3.7962       1.88106  4.38547      1.96198  20.7767     242.607     3.80702     242.607     
1 1 1 10 2  44 o 13.4513 4.11523 0.416222     1.5753   -0.623374    1.59875  1.40252     104.453     8.43016     284.453     
1 1 1 10 2  45 o 52.2898 2.84184 14.6295      2.25714  16.3228      2.27964  49.2893     339.259     4.11399     339.259     
1 1 1 10 2  46 o 18.0509 4.7315  1.40812      1.75658  1.96059      1.75256  10.2037     286.578     0.0315229   286.579     
1 1 1 10 2  47 o 17.4308 4.67748 1.22451      1.72226  1.80434      1.74957  2.83733     283.103     0.322496    283.103     
1 1 1 10 2  48 o 16.8181 4.62635 0.526135     1.76014  1.94066      1.76478  5.25917     257.446     1.05796     77.446      
1 1 1 10 2  49 o 23.7889 4.90957 2.61279      2.03965  4.67658      1.91803  8.10917     1.39522     23.2227     181.395     
1 1 1 10 2  50 o 50.4714 3.22365 13.5691      2.46878  16.6217      2.46121  51.3098     100.31      13.4369     100.31      
1 1 1 10 2  51 o 15.7282 4.65613 0.286646     1.93958  1.41069      1.89511  5.54811     338.519     1.16564     338.519     
1 1 1 10 2  52 o 22.7303 5.40313 4.64746      2.23598  2.67918      2.39039  20.3279     3.05522     5.83172     3.05522     
1 1 1 10 2  53 o 30.6346 5.69634 6.94329      2.58847  7.21436      2.85988  25.5229     40.0018     0.279984    220.002     
1 1 1 10 2  54 o 26.9607 5.71486 5.77099      2.53888  5.70868      2.58079  24.2042     135.129     4.30045     135.129     
1 1 1 10 2  55 o 17.8009 4.98925 0.971827     2.02461  3.11254      2.16051  14.2011     225.611     3.32951     225.611     
1 1 1 10 2  56 o 13.4668 4.36566 -1.26813     2.07255  0.676843     2.0942   5.36469     147.621     6.83498     327.621     
1 1 1 10 2  57 o 19.0175 5.35465 2.6303       2.42446  3.16436      2.30369  12.3545     13.2665     6.93315     13.2665     
1 1 1 10 2  58 o 12.4404 4.14824 -0.694351    2.14573  -0.864667    1.9818   2.58506     300.617     3.71317     120.617     
1 1 1 10 2  59 o 17.2092 5.16091 2.54953      2.46432  1.73663      2.28468  7.20631     206.989     4.44291     26.9891     
1 1 1 10 2  60 o 23.3079 5.46391 3.57735      2.38295  6.77745      2.43959  19.2057     182.75      3.70696     182.75      
1 1 1 10 2  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 3  0  f 254.352 2.75544 352.566      10.7867  352.566      10.7867  315.016     3.35369e-06 0           0           
1 1 1 10 3  1  o 102.471 2.96846 63.3677      4.44966  51.5377      4.81441  22.8953     358.67      122.999     178.67      
1 1 1 10 3  2  o 351.44  2.57689 671.733      13.1362  673.774      14.7127  332.719     236.959     8.70414     56.9589     
1 1 1 10 3  3  o 254.899 2.61553 363.084      9.66992  344.862      10.7976  300.036     93.846      127.285     93.846      
1 1 1 10 3  4  o 329.796 2.4237  612.896      12.3346  572.278      12.274   298.089     333.134     34.7569     153.134     
1 1 1 10 3  5  o 310.576 2.32334 530.198      11.5949  520.552      10.6146  283.915     245.793     24.0427     65.7933     
1 1 1 10 3  6  f 149.233 2.37226 112.731      5.42409  130.186      5.46028  125.746     59.9624     0           0           
1 1 1 10 3  7  f 216.431 2.46556 247.334      8.18645  263.089      8.24375  151.08      305.265     0           0           
1 1 1 10 3  8  o 686.242 2.65275 2567.15      26.4182  2563.7       29.5567  634.3       252.612     62.5059     72.6123     
1 1 1 10 3  9  o 137.739 2.51174 107.997      5.63331  98.9359      5.01417  113.128     78.9721     18.9696     78.9721     
1 1 1 10 3  10 o 432.395 2.23329 1032.99      14.8734  1003.91      14.8648  448.235     272.138     67.0147     272.138     
1 1 1 10 3  11 o 231.974 2.09779 298.408      7.49131  287.852      7.49406  243.19      179.511     59.7103     179.511     
1 1 1 10 3  12 o 163.001 2.15696 144.494      5.40667  144.969      5.42147  131.445     339.181     27.5973     159.181     
1 1 1 10 3  13 o 37.8992 3.79559 7.46789      2.12734  8.52909      2.17384  52.1856     205.468     132.152     205.468     
1 1 1 10 3  14 o 183.607 2.11741 183.204      5.98411  184.102      5.98919  131.327     152.554     78.5419     332.554     
1 1 1 10 3  15 o 113.011 2.0796  71.4021      3.61702  67.8714      3.6132   97.988      9.13875     10.8486     9.13874     
1 1 1 10 3  16 o 112.585 2.0607  69.9672      3.57273  68.2478      3.56611  108.259     343.086     29.8744     343.086     
1 1 1 10 3  17 o 114.231 2.23248 66.7903      3.89863  75.6756      3.93865  92.0828     267.422     17.1497     87.4221     
1 1 1 10 3  18 o 142.146 2.16997 113.576      4.75731  106.709      4.73942  152.658     53.6751     49.031      53.675      
1 1 1 10 3  19 o 77.1413 2.43127 28.9203      2.85187  36.3047      2.88467  57.1194     150.51      2.02822     330.51      
1 1 1 10 3  20 o 167.073 2.03842 152.533      5.42892  151.73       5.05394  170.201     220.53      28.3312     220.53      
1 1 1 10 3  21 o 32.711  3.66883 3.68197      1.68819  8.81014      1.71194  18.2307     50.9099     66.0997     50.9099     
1 1 1 10 3  22 o 68.8798 2.37996 24.4263      2.43439  27.4893      2.59946  39.7856     350.229     30.6395     170.229     
1 1 1 10 3  23 o 52.0979 2.76036 14.5582      2.08412  15.2368      2.31093  17.7127     79.8104     21.4308     259.81      
1 1 1 10 3  24 o 236.809 2.01621 307.524      7.10939  303.952      7.58457  239.825     235.375     31.626      235.375     
1 1 1 10 3  25 o 24.5681 4.19719 2.34564      1.58775  4.56883      1.6208   14.8869     104.353     41.3895     104.353     
1 1 1 10 3  26 o 124.076 2.06308 83.8584      3.95086  84.0448      3.9327   139.386     145.77      53.6444     145.77      
1 1 1 10 3  27 o 125.729 2.06167 90.9434      3.99845  81.6027      3.97701  80.6422     135.761     73.4417     315.761     
1 1 1 10 3  28 o 141.936 2.25061 115.49       4.52131  104.535      5.2402   176.426     304.903     92.2123     304.903     
1 1 1 10 3  29 o 159.235 2.09962 133.111      4.95158  143.625      5.34698  113.391     265.831     72.0412     85.8307     
1 1 1 10 3  30 o 16.4304 4.53168 0.0391497    1.75083  1.49846      1.6597   44.0934     169.435     103.397     169.435     
1 1 1 10 3  31 o 95.5552 2.45949 48.0385      3.7298   51.8799      3.47749  49.0546     195.78      77.8722     15.78       
1 1 1 10 3  32 o 64.699  2.84606 22.5847      2.90009  23.4096      2.7364   51.153      327.73      11.2346     147.73      
1 1 1 10 3  33 o 33.4287 4.13667 6.08318      2.10081  6.59005      1.99726  6.66613     148.976     67.6427     148.976     
1 1 1 10 3  34 o 150.377 2.57631 120.951      5.97096  126.764      5.9578   119.238     3.4561      42.3055     183.456     
1 1 1 10 3  35 f 44.1831 3.71206 9.77934      2.46677  12.1384      2.45546  55.0481     213.238     0           0           
1 1 1 10 3  36 o 99.3256 2.3412  50.1038      3.54878  58.3211      3.59014  52.8004     350.064     77.9874     170.064     
1 1 1 10 3  37 o 27.3186 4.90064 5.50456      2.08127  3.22351      2.12638  10.4311     291.208     8.18161     111.208     
1 1 1 10 3  38 o 87.2133 2.4156  43.3118      3.21751  40.514       3.25398  91.7687     267.372     24.1159     267.372     
1 1 1 10 3  39 o 76.4522 2.36262 31.0582      2.77066  33.4725      2.77596  63.5362     163.905     13.3269     343.905     
1 1 1 10 3  40 o 69.5107 2.64153 29.6395      2.811    24.1452      2.80029  70.3491     341.049     14.1625     341.049     
1 1 1 10 3  41 f 33.1839 4.14943 6.81954      2.03896  6.0643       2.0431   23.8271     326.457     0           0           
1 1 1 10 3  42 o 24.6013 4.60468 3.82132      1.78994  3.45552      1.75491  17.8861     290.727     4.61815     290.727     
1 1 1 10 3  43 o 33.5402 4.11394 6.91431      2.0628   6.3452       2.03174  26.7444     116.351     3.56575     296.351     
1 1 1 10 3  44 o 48.4565 3.20403 12.707       2.48413  14.0581      2.20797  31.4028     149.221     24.609      329.221     
1 1 1 10 3  45 o 26.3248 4.54375 3.52319      1.84146  5.00089      1.83782  26.6626     301.919     11.8547     301.919     
1 1 1 10 3  46 o 55.9868 2.77098 16.3556      2.36626  19.2717      2.3676   47.2826     74.799      6.32086     254.799     
1 1 1 10 3  47 o 49.6684 3.02703 13.5835      2.29835  14.8168      2.28183  54.3583     18.0468     21.1477     18.0468     
1 1 1 10 3  48 o 31.5528 4.20793 6.51824      1.97132  5.71773      1.9656   28.9903     238.845     5.67214     238.845     
1 1 1 10 3  49 o 17.7917 4.79723 0.939421     1.86961  2.29384      1.85545  8.6487      175.187     5.35938     355.187     
1 1 1 10 3  50 o 16.0643 4.73806 0.465363     2.04867  1.30139      1.88796  6.98438     92.7211     5.32435     272.721     
1 1 1 10 3  51 o 67.7739 2.76361 24.366       2.74774  29.3173      2.99505  80.1538     73.9471     39.4558     73.9471     
1 1 1 10 3  52 o 17.9059 5.20373 1.24977      2.1645   2.16136      2.44381  11.9953     65.4633     0.94229     245.463     
1 1 1 10 3  53 o 40.5425 4.12151 12.4858      2.50572  8.92479      2.43124  40.7301     70.1858     11.5074     70.1858     
1 1 1 10 3  54 o 32.3519 4.91211 5.79715      2.38187  9.29062      2.40056  34.5621     277.936     14.8691     277.936     
1 1 1 10 3  55 o 22.5548 5.53013 3.39197      2.2134   4.89317      2.49413  12.4785     247.872     12.4437     67.8725     
1 1 1 10 3  56 o 30.3591 5.25049 6.09746      2.48003  8.29373      2.43999  29.5739     79.6202     8.7584      79.6202     
1 1 1 10 3  57 o 17.7986 5.07889 1.93051      2.24057  2.722        2.09535  11.7282     133.454     2.42764     313.454     
1 1 1 10 3  58 o 14.2054 4.57394 0.834555     2.21097  -0.222425    2.21312  4.48963     147.837     2.71733     327.837     
1 1 1 10 3  59 o 15.6013 4.80551 1.25422      2.09783  1.42861      2.23145  5.08837     165.018     4.55133     345.018     
1 1 1 10 3  60 f 15.2494 4.78442 0.910296     2.22992  1.91026      2.26682  11.6012     105.797     0           0           
1 1 1 10 3  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 4  0  o 165.061 2.34554 148.541      5.95635  148.541      5.95635  193.076     180         137.713     180         
1 1 1 10 4  1  o 445.327 2.43165 1060.78      16.661   1099.76      16.6857  419.034     39.2318     20.4361     219.232     
1 1 1 10 4  2  o 482.429 2.43725 1275.38      18.1192  1260         18.0925  502.968     215.315     75.5063     215.315     
1 1 1 10 4  3  o 623.001 2.62606 2089         23.7447  2139.64      26.5924  699.714     39.1009     193.535     39.1009     
1 1 1 10 4  4  o 381.749 2.57141 804.274      14.2587  783.457      15.9049  457.119     43.7162     186.976     43.7162     
1 1 1 10 4  5  o 397.258 2.42329 837.491      14.807   881.998      14.8344  332.455     33.236      98.5264     213.236     
1 1 1 10 4  6  o 264.294 2.33575 369.318      9.05128  391.783      9.95984  275.608     222.425     58.5189     222.425     
1 1 1 10 4  7  f 163.801 2.25546 150.205      5.47409  142.133      5.88219  216.445     150.483     0           0           
1 1 1 10 4  8  o 390.641 2.13586 823.967      12.3408  838.382      13.3439  305.713     197.618     137.672     17.6177     
1 1 1 10 4  9  o 652.411 2.11074 2295.58      21.1909  2341.22      21.2185  638.317     297.613     14.8816     297.613     
1 1 1 10 4  10 o 305.841 2.0574  505.717      9.69231  513.27       9.68635  282.479     277.803     14.832      97.8027     
1 1 1 10 4  11 o 465.996 1.93398 1201.13      13.9002  1164.54      13.8539  557.892     328.458     222.26      328.458     
1 1 1 10 4  12 o 257.111 2.07021 358.872      8.22516  361.327      8.16734  263.527     278.649     44.6146     278.649     
1 1 1 10 4  13 o 109.068 2.30208 68.8274      3.85812  61.0304      3.85557  85.8202     197.262     9.07496     197.262     
1 1 1 10 4  14 o 151.113 2.26225 116.404      5.42941  132.699      5.0504   169.064     144.044     77.4709     144.044     
1 1 1 10 4  15 o 226.037 2.08278 279.48       7.24281  277.256      7.25616  287.585     241.167     155.046     241.167     
1 1 1 10 4  16 o 144.164 2.16487 111.485      4.79543  115.027      4.81584  138.481     124.654     15.8175     124.654     
1 1 1 10 4  17 o 205.622 1.94771 232.808      6.17466  227.942      6.15926  167.568     4.52292     53.6313     184.523     
1 1 1 10 4  18 f 200.877 1.94867 230.284      6.03754  209.71       6.00938  219.809     347.784     0           0           
1 1 1 10 4  19 o 197.653 2.09996 201.71       6.35851  224.443      6.41366  162.909     98.7418     48.1971     278.742     
1 1 1 10 4  20 o 89.3713 2.34677 44.3301      3.23003  42.8932      3.21762  68.0779     290.101     18.9681     110.101     
1 1 1 10 4  21 o 68.0693 2.53439 25.9251      2.63129  24.7651      2.66116  22.5602     306.955     69.3133     126.955     
1 1 1 10 4  22 f 144.35  2.05773 105.636      4.38781  121.839      4.76177  125.463     108.239     0           0           
1 1 1 10 4  23 o 122.603 2.03613 78.7608      3.8354   85.2001      3.84889  90.4982     231.129     43.6291     51.1294     
1 1 1 10 4  24 o 186.58  1.97221 188.978      5.66842  190.603      5.66432  152.48      232.783     46.1352     52.7828     
1 1 1 10 4  25 f 141.651 2.02551 102.921      4.39616  116.091      4.43018  148.599     147.127     0           0           
1 1 1 10 4  26 o 44.2844 3.02009 10.7996      1.98023  10.8274      2.08624  1.37402     244.47      65.4913     64.4699     
1 1 1 10 4  27 o 114.131 2.23578 64.7537      3.65472  77.7792      4.2028   77.8195     231.658     55.7354     51.6585     
1 1 1 10 4  28 o 20.8178 4.76198 1.99984      1.68344  2.62175      1.80715  12.2894     110.55      34.3691     110.55      
1 1 1 10 4  29 o 106.59  2.16464 59.651       3.53164  64.4794      3.56406  131.181     211.457     75.2387     211.457     
1 1 1 10 4  30 o 37.3806 3.56735 7.64947      2.01193  7.93785      1.98893  6.78751     73.229      35.2753     253.229     
1 1 1 10 4  31 o 160.231 2.15574 139.168      5.30731  141.143      5.33073  174.645     257.274     50.6575     257.274     
1 1 1 10 4  32 o 47.1487 3.21775 11.9786      2.32017  12.6225      2.29184  39.8364     259.207     8.81824     259.207     
1 1 1 10 4  33 o 100.803 2.5263  55.4589      3.91815  55.8832      3.91233  82.0711     330.427     21.4272     150.427     
1 1 1 10 4  34 o 69.3728 3.11468 24.1749      3.27707  29.0236      3.32512  57.5089     349.12      7.85879     169.12      
1 1 1 10 4  35 o 49.3281 3.12333 12.196       2.33375  14.8604      2.34154  29.3739     264.974     25.1051     84.9743     
1 1 1 10 4  36 f 55.2228 3.37042 17.2375      3.15094  16.6998      2.49094  31.2936     343.991     0           0           
1 1 1 10 4  37 o 46.7967 3.52698 12.1959      2.56124  12.372       2.44059  27.3255     178.362     27.0651     358.362     
1 1 1 10 4  38 o 75.7458 2.52538 32.1628      2.96195  31.1975      2.91269  69.7264     127.509     1.34749     127.508     
1 1 1 10 4  39 o 58.3212 2.6287  21.5171      2.36012  16.4002      2.30849  47.0114     70.994      11.7784     250.994     
1 1 1 10 4  40 o 30.5789 3.99206 4.6838       1.79442  6.24674      1.81663  16.5188     219.165     18.7841     39.1653     
1 1 1 10 4  41 o 84.4385 2.46347 42.5308      3.19725  36.6782      3.18247  101.478     308.958     49.2275     308.958     
1 1 1 10 4  42 o 28.5206 4.52633 6.16877      1.94653  3.66722      1.97088  17.8919     15.5296     11.3778     195.53      
1 1 1 10 4  43 o 24.9425 4.58845 3.04769      1.82273  4.47821      1.77744  14.2457     296.433     11.7365     116.433     
1 1 1 10 4  44 o 30.4572 4.43094 7.74043      2.03292  3.68734      2.01061  26.874      65.7591     2.28087     65.7591     
1 1 1 10 4  45 o 46.9693 3.18932 14.1511      2.37372  11.2413      2.17707  46.9645     259.539     10.102      259.539     
1 1 1 10 4  46 o 20.3055 4.8146  2.75044      1.79222  2.16646      1.76778  12.3492     76.8168     4.88604     256.817     
1 1 1 10 4  47 o 63.0196 2.6789  22.0282      2.56972  23.0872      2.60525  59.6104     237.543     6.10937     237.543     
1 1 1 10 4  48 o 49.0335 3.23299 12.6795      2.31074  15.378       2.51264  50.8492     198.081     15.5762     198.081     
1 1 1 10 4  49 o 22.156  5.06237 4.01249      1.9283   2.23131      2.16371  16.0228     347.138     0.431199    167.138     
1 1 1 10 4  50 o 67.0359 2.78106 26.3883      2.73062  25.7609      2.97494  74.4969     168.592     29.454      168.592     
1 1 1 10 4  51 o 28.6544 5.08582 5.32871      2.22913  6.09901      2.25773  22.3596     87.2017     3.86941     267.202     
1 1 1 10 4  52 o 62.8127 3.64656 22.7971      3.52981  26.026       3.43537  69.2649     105.994     27.1965     105.994     
1 1 1 10 4  53 o 14.2796 4.44727 0.851781     1.92714  -0.303843    1.91015  0.556135    275.091     0.00170534  95.0913     
1 1 1 10 4  54 o 28.0316 5.93498 6.1127       3.14629  6.82837      2.509    26.6557     353.389     7.2102      353.389     
1 1 1 10 4  55 o 19.9025 5.34317 0.704899     2.50017  4.83241      2.46882  16.443      251.094     3.19261     251.094     
1 1 1 10 4  56 o 14.8678 4.57003 1.58419      1.97364  -0.0546649   2.00951  8.22668     193.369     0.343093    13.369      
1 1 1 10 4  57 o 14.8284 4.59712 1.01799      1.99381  0.807437     2.02767  8.10928     141.743     0.365108    321.743     
1 1 1 10 4  58 o 13.9522 4.50218 0.458361     2.1162   -0.00742385  2.18605  2.07739     128.922     1.26871     308.922     
1 1 1 10 4  59 o 11.7259 3.99553 -0.982667    2.11124  -2.32739     2.20709  0.494732    261.356     5.26736     81.3558     
1 1 1 10 4  60 o 14.7048 4.63879 0.197372     2.05032  2.0748       2.25155  5.24196     287.252     0.468445    287.252     
1 1 1 10 4  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 5  0  o 310.509 2.43139 525.241      11.6225  525.241      11.6225  280.008     5.08213e-06 44.3309     180         
1 1 1 10 5  1  o 301.34  2.33295 496.207      11.3196  492.996      10.3113  274.035     274.414     22.4591     94.4139     
1 1 1 10 5  2  o 773.346 2.54002 3214.62      30.2278  3301.3       30.2653  816.118     348.345     134.139     348.345     
1 1 1 10 5  3  o 117.958 3.04412 72.1056      5.52255  79.8185      5.50589  61.4341     217.091     63.3139     37.0911     
1 1 1 10 5  4  o 333.529 2.22183 596.369      11.4067  615.495      11.4138  281.351     322.477     72.3925     142.477     
1 1 1 10 5  5  o 242.042 2.35499 306.333      9.11826  332.148      8.3805   252.903     156.214     61.4375     156.214     
1 1 1 10 5  6  o 205.54  1.97252 233.523      6.26054  226.68       6.22532  247.09      289.533     152.059     289.533     
1 1 1 10 5  7  o 340.299 1.9202  630.33       10.059   631.068      10.0655  259.223     136.303     130.64      316.303     
1 1 1 10 5  8  o 175.55  2.12565 176.439      5.75999  159.498      5.72327  163.731     105.048     19.2244     105.048     
1 1 1 10 5  9  o 67.6053 2.67897 25.3777      2.78593  24.5878      2.76932  5.72823     226.337     71.4751     226.337     
1 1 1 10 5  10 o 154.019 2.33577 123.958      5.0389   134.621      6.03006  100.608     274.238     74.6766     94.2384     
1 1 1 10 5  11 o 66.0837 2.66944 20.4252      2.47575  27.595       2.93818  4.01655     294.265     33.6064     114.265     
1 1 1 10 5  12 o 283.049 1.92194 435.268      8.37266  437.554      8.38141  260.446     309.582     16.2567     129.582     
1 1 1 10 5  13 o 254.903 1.99361 346.827      7.55014  361.174      8.09964  250.168     123.787     18.5708     123.787     
1 1 1 10 5  14 o 72.896  2.31911 27.8002      2.58149  30.2555      2.60918  34.8747     171.409     9.88255     351.409     
1 1 1 10 5  15 o 272.774 2.06698 412.4        8.68388  398.477      8.67865  312.401     18.178      107.912     18.178      
1 1 1 10 5  16 o 56.8505 2.99237 18.5533      2.47031  16.9166      2.70877  13.4006     33.6977     32.722      213.698     
1 1 1 10 5  17 o 93.3364 2.44947 48.3684      3.67648  46.7553      3.34953  72.5912     256.133     12.4901     76.1331     
1 1 1 10 5  18 o 258.875 2.0802  366.221      7.67011  364.27       8.86813  287.112     324.88      82.9603     324.88      
1 1 1 10 5  19 o 183.319 1.96573 185.136      5.54463  181.168      5.55293  162.379     198.332     20.477      18.3323     
1 1 1 10 5  20 o 224.874 2.00577 265.28       6.68697  286.162      7.20672  244.906     157.309     65.1871     157.309     
1 1 1 10 5  21 o 57.4513 2.7284  18.5522      2.39277  17.6357      2.40519  10.1757     304.55      116.275     304.55      
1 1 1 10 5  22 o 299.399 2.06378 493.268      9.52184  484.163      9.50741  311.198     94.54       53.4628     94.54       
1 1 1 10 5  23 o 54.773  3.06846 18.7453      2.38316  14.3782      2.66334  23.2021     260.553     11.9458     80.5531     
1 1 1 10 5  24 o 239.231 1.93783 309.952      7.13328  314.081      7.14408  254.954     230.007     58.2983     230.007     
1 1 1 10 5  25 o 71.4614 2.34437 26.9928      2.56673  28.8646      2.57691  43.3263     197.68      36.1611     17.6803     
1 1 1 10 5  26 o 120.169 2.08248 81.573       3.85258  76.0381      3.84786  128.088     246.828     36.4389     246.828     
1 1 1 10 5  27 o 290.413 1.94917 457.616      8.71065  462.183      8.72281  300.648     159.1       51.5449     159.1       
1 1 1 10 5  28 f 97.0892 2.21217 52.8754      3.31595  50.1133      3.28896  93.369      155.244     0           0           
1 1 1 10 5  29 o 88.6841 2.26245 43.517       3.09716  42.4514      3.07199  89.0248     330.049     22.7036     330.049     
1 1 1 10 5  30 o 119.747 2.25534 71.3303      4.12018  85.6211      4.17085  101.953     267.982     17.1191     87.9816     
1 1 1 10 5  31 f 81.7976 2.74882 32.1624      3.21984  41.4977      3.68657  83.3205     328.303     0           0           
1 1 1 10 5  32 o 75.4149 2.74573 27.6262      3.04534  35.0239      3.30151  57.8764     163.593     20.2655     343.593     
1 1 1 10 5  33 o 102.923 2.56008 57.4794      4.04045  58.6602      4.06172  111.605     357.821     35.8542     357.821     
1 1 1 10 5  34 o 51.6114 3.21617 16.7782      2.5125   12.88        2.50895  38.133      100.417     9.51883     280.417     
1 1 1 10 5  35 o 69.3001 2.80218 24.9557      2.96884  28.0397      2.97936  67.1592     80.0293     12.2538     80.0293     
1 1 1 10 5  36 o 133.333 2.23289 96.0591      4.59498  98.8877      4.57303  128.777     34.1647     10.7854     34.1647     
1 1 1 10 5  37 o 129.058 2.21358 93.3872      4.40202  89.492       4.39496  129.625     44.2673     20.5744     44.2673     
1 1 1 10 5  38 o 88.5885 2.31069 42.4877      3.03809  44.0003      3.25467  101.528     7.05301     41.2385     7.05301     
1 1 1 10 5  39 o 93.5404 2.2855  50.1587      3.42257  46.4269      3.15287  89.0143     73.2919     5.99547     73.292      
1 1 1 10 5  40 o 92.2711 2.38605 48.5998      3.61079  45.6353      3.15423  107.458     17.4346     46.2395     17.4346     
1 1 1 10 5  41 o 53.0203 2.83082 16.796       2.36316  14.7442      2.2246   53.4025     191.497     12.3644     191.497     
1 1 1 10 5  42 o 17.4026 4.72566 1.49428      1.78474  1.13687      1.77803  3.40378     113.262     15.7175     293.262     
1 1 1 10 5  43 o 23.1403 4.8447  4.35106      1.91921  2.01155      1.93357  4.72922     174.751     29.0715     354.751     
1 1 1 10 5  44 o 37.5259 3.55544 8.18788      1.99687  8.16471      2.00883  30.8964     306.99      4.51625     126.99      
1 1 1 10 5  45 o 19.5559 4.9043  3.12547      1.86593  0.713138     2.09649  5.9689      182.82      19.4341     2.82001     
1 1 1 10 5  46 o 37.5698 4.17867 8.14993      2.21134  8.92863      2.46466  30.0676     312.332     5.23868     132.332     
1 1 1 10 5  47 o 15.8279 4.67408 0.551311     1.89232  0.831634     1.91028  4.9148      23.673      6.54788     203.673     
1 1 1 10 5  48 o 46.7964 3.34227 11.0789      2.33017  14.7372      2.38019  49.8783     29.8165     18.1686     29.8165     
1 1 1 10 5  49 o 12.139  3.98923 -0.646727    1.86248  -1.60431     1.7375   0.880317    146.428     4.96374     326.428     
1 1 1 10 5  50 f 37.2497 3.8798  8.24946      2.15162  8.99366      2.16255  22.7589     245.908     0           0           
1 1 1 10 5  51 o 27.9871 5.74529 6.51682      2.78376  5.18252      2.46563  29.6683     2.99605     14.7426     2.99605     
1 1 1 10 5  52 o 36.9669 4.47056 9.29423      2.57162  8.80156      2.33309  37.5511     245.375     11.9302     245.375     
1 1 1 10 5  53 o 15.7932 4.80892 1.23621      2.13026  0.58583      2.11809  8.47078     239.407     0.00221473  59.4044     
1 1 1 10 5  54 o 14.543  4.54674 0.269918     1.97602  0.67166      2.03502  9.05051     335.832     1.54476     335.832     
1 1 1 10 5  55 o 16.6494 4.73897 -1.83105     2.15033  3.70218      2.21015  11.7421     30.7359     3.21849     30.7359     
1 1 1 10 5  56 o 22.3798 5.12405 5.28513      2.10351  2.67954      2.15346  19.4122     334.489     4.28551     334.489     
1 1 1 10 5  57 o 18.6889 5.14194 2.67508      2.14571  2.86741      2.10973  14.1573     262.225     3.86236     262.225     
1 1 1 10 5  58 o 37.1925 4.39411 10.3465      2.41752  9.44151      2.43229  41.5753     58.9676     23.2672     58.9676     
1 1 1 10 5  59 o 13.9284 4.52686 0.666119     2.21039  -0.15247     2.25256  2.17661     267.923     1.41583     87.9233     
1 1 1 10 5  60 o 11.9287 4.0226  -0.84432     2.01034  -0.739565    2.09268  3.37199     52.4358     6.11365     232.436     
1 1 1 10 5  61 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 6  0  o 635.316 2.10521 2198.08      20.5946  2198.08      20.5946  659.028     180         84.6079     180         
1 1 1 10 6  1  o 65.337  2.6355  23.252       2.6306   23.4123      2.65065  57.6354     244.221     199.889     244.221     
1 1 1 10 6  2  o 395.514 1.99212 861.427      11.7211  842.596      12.5217  502.395     151.763     257.191     151.763     
1 1 1 10 6  3  o 234.231 2.08777 294.676      7.52902  303.002      7.53065  258.566     36.535      92.4262     36.535      
1 1 1 10 6  4  o 263.233 2.16316 378.403      9.12183  376.442      8.40187  225.97      240.857     41.0606     60.8567     
1 1 1 10 6  5  o 488.583 2.26615 1309.55      18.4594  1291.13      15.5341  486.585     213.255     35.359      213.255     
1 1 1 10 6  6  o 368.599 1.99198 731.353      11.6679  748.722      10.9229  399.736     26.5022     99.1338     26.5022     
1 1 1 10 6  7  o 199.086 2.04639 214.649      6.48323  217.137      6.05406  185.607     181.325     9.28993     181.325     
1 1 1 10 6  8  o 353.965 2.04797 686.099      11.1642  678.855      11.1612  339.618     148.203     4.89693     148.203     
1 1 1 10 6  9  o 182.191 2.10726 180.986      5.91109  180.652      5.91291  211.282     117.893     105.286     117.893     
1 1 1 10 6  10 o 71.0981 2.46595 28.3616      2.62477  26.8684      2.75171  1.29408     6.46657     101.283     6.46656     
1 1 1 10 6  11 o 388.556 1.91891 828.4        11.4865  816.44       11.4761  405.356     193.889     67.6599     193.889     
1 1 1 10 6  12 o 186.26  1.97445 181.073      5.6488   197.091      5.67069  197.154     119.517     52.0908     119.517     
1 1 1 10 6  13 o 127.746 2.03473 89.8043      4.00793  88.0195      3.99707  98.6208     245.073     31.7137     65.0734     
1 1 1 10 6  14 o 54.9285 2.73539 18.3246      2.18803  14.831       2.36495  57.1177     189.102     204.759     189.102     
1 1 1 10 6  15 o 217.896 2.09424 257.103      6.47994  260.355      7.54017  196.278     110.739     18.6725     290.739     
1 1 1 10 6  16 o 105.759 2.09967 59.7844      3.41325  62.2349      3.41795  81.8089     157.753     22.637      337.753     
1 1 1 10 6  17 f 79.2139 2.5503  34.1895      3.22182  34.3853      2.9779   13.2859     325.185     0           0           
1 1 1 10 6  18 o 75.2874 2.50304 33.0463      2.88311  28.9772      2.8939   27.0302     352.754     76.279      172.754     
1 1 1 10 6  19 o 91.6629 2.34129 46.4971      3.2929   45.2538      3.30509  64.3258     150.955     32.0781     330.955     
1 1 1 10 6  20 o 85.1459 2.35649 35.7075      2.84125  43.6871      3.33272  54.1945     88.7094     38.9575     268.709     
1 1 1 10 6  21 o 25.3773 4.08602 4.50803      1.58059  2.85908      1.56458  35.6373     23.278      92.5377     23.278      
1 1 1 10 6  22 o 61.3282 2.73639 19.3747      2.63028  21.8845      2.49325  32.342      112.93      22.2658     292.93      
1 1 1 10 6  23 o 23.8164 4.51453 4.13933      1.72986  2.26856      1.72711  13.9974     25.6263     37.5664     25.6263     
1 1 1 10 6  24 o 52.4332 2.93435 13.9066      2.33266  16.3628      2.35609  24.98       195.594     24.1637     15.5939     
1 1 1 10 6  25 o 183.85  1.98294 186.249      5.6145   182.382      5.61278  210.588     287.935     77.6208     287.935     
1 1 1 10 6  26 o 94.8616 2.20916 45.2753      3.20938  53.1704      3.22094  117.233     151.746     76.3524     151.746     
1 1 1 10 6  27 o 48.9562 2.88982 13.2869      2.15044  13.085       2.16668  28.813      214.603     2.27206     34.6027     
1 1 1 10 6  28 o 166.891 2.01484 152.876      5.18879  150.988      5.16719  176.644     106.206     43.0391     106.206     
1 1 1 10 6  29 o 212.568 1.98343 241.75       6.48072  251.315      6.50261  205.313     316.824     11.9447     316.824     
1 1 1 10 6  30 o 62.1217 2.79252 23.0563      2.64355  19.4039      2.65443  35.2777     74.856      38.1573     254.856     
1 1 1 10 6  31 o 121.69  2.45888 81.1846      4.61074  80.8567      4.59513  129.264     301.645     34.0323     301.645     
1 1 1 10 6  32 o 121.386 2.28547 80.6644      4.27619  80.5587      4.26026  115.036     39.4219     5.96523     39.4218     
1 1 1 10 6  33 f 55.0361 2.97907 15.0284      2.49162  18.5089      2.49716  43.9998     129.346     0           0           
1 1 1 10 6  34 o 67.8461 3.40299 26.7988      3.64222  24.2463      3.4231   42.4773     192.391     36.3074     12.3908     
1 1 1 10 6  35 o 68.1269 2.91085 24.8535      2.94351  26.4286      3.13612  47.6507     251.611     26.9598     71.6113     
1 1 1 10 6  36 o 96.8319 2.26565 50.182       3.25806  52.8533      3.48956  85.7546     85.0962     5.99807     265.096     
1 1 1 10 6  37 o 40.4858 3.86023 7.8949       2.32712  10.8551      2.30091  28.1729     47.752      12.8257     227.752     
1 1 1 10 6  38 o 51.6329 2.95782 15.4904      2.3368   14.2817      2.32364  49.4336     298.907     6.97507     298.907     
1 1 1 10 6  39 o 103.646 2.15873 59.2041      3.44724  59.2093      3.43604  90.0001     62.734      10.7517     242.734     
1 1 1 10 6  40 o 18.6406 4.62093 1.70718      1.64659  1.95346      1.63464  1.48546     57.7028     0.440329    237.703     
1 1 1 10 6  41 o 25.1808 4.47483 4.6214       1.75242  3.00276      1.75587  9.90628     20.0823     21.3425     200.082     
1 1 1 10 6  42 o 66.6818 2.50427 24.951       2.54442  24.6274      2.57956  60.4241     235.114     0.215514    235.112     
1 1 1 10 6  43 o 51.4086 3.28333 14.3467      2.67545  15.8241      2.43951  53.2104     255.863     14.7792     255.863     
1 1 1 10 6  44 o 34.8841 4.68491 8.78866      2.48481  6.1627       2.35713  23.6013     31.9286     14.1768     211.929     
1 1 1 10 6  45 f 10.978  3.6604  -1.99609     1.62545  -1.17433     1.60552  9.36587     250.369     0           0           
1 1 1 10 6  46 o 58.7221 2.97868 18.843       2.6658   20.7222      2.68077  54.6857     23.5804     4.453       23.5804     
1 1 1 10 6  47 o 21.8795 4.98512 2.56837      1.9675   3.41338      1.88472  3.53889     223.619     28.6888     43.6194     
1 1 1 10 6  48 o 25.5297 4.82211 2.69366      2.01662  5.81532      2.03089  23.162      214.465     10.4259     214.465     
1 1 1 10 6  49 o 34.1939 4.4737  8.62714      2.45     6.43477      2.0944   28.431      279.595     1.56624     99.5953     
1 1 1 10 6  50 o 27.9196 5.51037 5.19774      2.4907   5.98776      2.4421   22.1481     149.652     2.20254     329.652     
1 1 1 10 6  51 o 27.1763 5.24272 4.49934      2.29513  6.06649      2.26276  24.5047     31.5643     4.34309     31.5644     
1 1 1 10 6  52 o 23.1186 4.83444 1.32442      2.16213  5.95993      2.07916  14.6391     159.775     8.09028     339.775     
1 1 1 10 6  53 o 31.2625 5.1527  6.48663      2.45146  7.7795       2.42971  27.9264     289.159     3.13256     289.159     
1 1 1 10 6  54 o 22.431  5.26156 3.71868      2.11287  4.11722      2.13079  20.8287     22.7775     6.73102     22.7775     
1 1 1 10 6  55 o 13.1178 4.31937 -1.30936     2.09881  0.0919151    2.17007  4.71575     185.087     0.689472    5.08671     
1 1 1 10 6  56 o 15.5708 4.82373 0.726177     2.02035  1.5934       2.38479  8.8628      336.431     1.38997     336.431     
1 1 1 10 6  57 o 18.8845 5.12774 1.66265      2.16909  3.93215      2.18413  11.9321     54.396      3.07857     234.396     
1 1 1 10 6  58 o 14.0548 4.48137 0.606655     2.02655  0.315077     2.07958  1.19933     79.4328     1.74723     259.433     
1 1 1 10 6  59 o 26.6367 5.37124 6.20679      2.31781  6.32194      2.304    24.627      170.427     8.67373     170.427     
1 1 1 10 6  60 o 16.4131 5.02142 1.48847      2.39454  2.73496      2.32221  9.25974     77.316      5.42559     257.316     
1 1 1 10 7  0  o 35.6401 4.09777 7.44642      2.07057  7.44642      2.07057  7.96151     360         19.0781     360         
1 1 1 10 7  1  f 270.34  1.9327  398.774      8.04373  397.348      8.04767  58.446      58.1976     0           0           
1 1 1 10 7  2  o 178.958 1.98927 170.316      5.47904  178.611      5.48264  154.335     335.556     11.8901     155.556     
1 1 1 10 7  3  o 342.086 2.14032 630.558      11.6897  644.382      10.8332  353.151     86.3159     58.0903     86.3159     
1 1 1 10 7  4  o 313.703 2.05378 528.839      9.92534  543.295      9.91543  355.462     308.71      120.873     308.71      
1 1 1 10 7  5  o 129.709 2.19754 90.6626      4.39398  92.647       4.38415  77.1415     62.7954     49.569      62.7954     
1 1 1 10 7  6  o 182.815 1.97916 182.935      5.57755  181.164      5.56569  226.26      185.488     163.202     185.488     
1 1 1 10 7  7  o 290.079 1.9959  473.512      8.62017  443.462      9.17669  230.242     227.522     89.6308     47.5216     
1 1 1 10 7  8  o 322.054 2.13281 573.168      11.0071  556.98       10.1403  290.91      150.287     30.6721     330.287     
1 1 1 10 7  9  o 279.126 2.26687 415.27       10.5161  433.833      8.86059  245.766     134.216     37.3923     314.216     
1 1 1 10 7  10 o 376.251 2.05111 760.009      11.8911  782.56       11.8745  344.46      311.296     30.4883     131.296     
1 1 1 10 7  11 o 221.571 1.94523 267.906      6.64864  267.004      6.62538  154.605     290.167     109.537     110.167     
1 1 1 10 7  12 o 273.979 1.92026 417.817      8.10971  400.187      8.09089  328.776     71.2989     140.874     71.2989     
1 1 1 10 7  13 o 315.161 1.91889 543.656      9.31173  538.68       9.31339  287.846     216.678     24.9716     36.6776     
1 1 1 10 7  14 o 101.351 2.12612 59.5368      3.32554  52.6275      3.29577  31.993      196.212     118.459     16.2117     
1 1 1 10 7  15 o 173.427 1.9704  164.146      5.27035  163.65       5.25388  139.057     213.456     46.2144     33.4555     
1 1 1 10 7  16 o 158.902 1.9856  135.014      4.85193  140.22       4.86416  153.662     222.672     12.951      222.672     
1 1 1 10 7  17 o 95.4779 2.15123 51.993       3.16028  47.5411      3.15286  100.142     246.707     45.624      246.707     
1 1 1 10 7  18 o 213.977 2.00642 241.476      6.37972  257.775      6.84432  183.291     284.503     37.2455     104.503     
1 1 1 10 7  19 o 271.19  2.28322 402.402      8.65562  399.664      10.3337  238.45      220.1       37.3446     40.1001     
1 1 1 10 7  20 f 67.8535 2.7408  26.2424      2.70658  24.1955      2.97522  77.1835     132.77      0           0           
1 1 1 10 7  21 o 259.686 2.08118 353.825      8.29835  381.828      8.33882  226.128     146.118     38.6291     326.118     
1 1 1 10 7  22 o 159.998 1.99758 137.13       4.91173  142.036      4.9307   158.553     62.912      20.9209     62.912      
1 1 1 10 7  23 o 45.9748 3.02373 12.0422      2.03292  11.2564      2.18786  15.4048     308.677     17.3397     128.677     
1 1 1 10 7  24 o 223.899 2.09951 271.393      7.23876  275.422      7.23827  237.112     292.053     53.1621     292.053     
1 1 1 10 7  25 o 158.592 2.17228 132.841      5.27978  141.628      5.3276   164.907     290.081     35.0563     290.081     
1 1 1 10 7  26 o 69.78   2.57099 25.5633      2.85856  27.7722      2.6289   53.1836     129.351     12.3124     309.351     
1 1 1 10 7  27 o 187.57  1.99802 187.306      5.76249  196.552      5.7774   192.861     224.327     35.7618     224.327     
1 1 1 10 7  28 o 59.3104 2.68367 20.8761      2.43873  17.7859      2.426    35.5408     206.039     28.0004     26.0386     
1 1 1 10 7  29 o 77.1291 2.77736 30.7941      3.27465  34.4818      3.29378  32.4779     101.543     74.4792     281.543     
1 1 1 10 7  30 o 35.1706 4.35609 7.77208      2.27     6.2844       2.26501  15.5154     135.746     7.23352     315.746     
1 1 1 10 7  31 o 89.4857 2.28566 45.8836      3.1561   41.8166      3.12876  89.7102     207.966     17.9849     207.966     
1 1 1 10 7  32 o 36.6602 3.93888 6.15686      2.11879  9.14473      2.12487  4.68847     9.51785     49.2252     189.518     
1 1 1 10 7  33 f 19.6182 5.08054 1.73258      2.01315  1.79328      1.99678  30.5329     157.654     0           0           
1 1 1 10 7  34 o 111.307 2.4301  67.3038      4.15643  68.7073      4.16375  91.5718     120.69      21.3967     300.69      
1 1 1 10 7  35 o 107.508 2.26943 63.0993      3.7582   63.7997      3.74738  125.241     261.849     54.6224     261.849     
1 1 1 10 7  36 o 79.6874 2.32523 31.434       2.81745  38.6512      2.85718  85.3746     201.039     26.9437     201.039     
1 1 1 10 7  37 o 45.5963 3.16896 11.1829      2.19226  12.1323      2.19716  38.1828     98.2141     3.42567     278.214     
1 1 1 10 7  38 o 59.4211 2.74272 19.3484      2.50309  19.9373      2.488    70.7354     157.461     36.2098     157.461     
1 1 1 10 7  39 o 21.9003 4.70118 3.0655       1.70106  2.51918      1.76104  3.83218     296.853     43.563      296.853     
1 1 1 10 7  40 o 32.5526 4.27966 5.54926      1.85678  6.99205      2.2822   27.2116     31.6246     0.735063    31.6246     
1 1 1 10 7  41 o 71.2798 2.70229 30.6544      2.68473  26.2142      3.15001  65.1385     90.2655     1.20569     90.2655     
1 1 1 10 7  42 o 27.0222 4.34021 5.82147      1.79786  3.05136      1.79298  23.7504     40.08       14.17       40.08       
1 1 1 10 7  43 o 31.1919 4.13148 4.67972      1.89013  7.02858      1.91451  30.3823     97.3294     8.23094     97.3294     
1 1 1 10 7  44 o 19.5816 4.94926 2.45867      1.8996   1.80714      1.89265  11.5896     82.8822     5.77864     262.882     
1 1 1 10 7  45 o 14.8474 4.48574 0.865593     1.8337   -0.450584    1.86072  2.88436     281.054     11.875      101.054     
1 1 1 10 7  46 o 51.3663 3.35857 12.8572      2.72233  18.0494      2.35814  40.8418     66.6922     9.49352     246.692     
1 1 1 10 7  47 o 35.5217 4.78034 5.9439       2.59705  10.2141      2.37048  24.5615     10.5845     11.9179     190.585     
1 1 1 10 7  48 o 65.5494 3.09585 25.4772      3.37688  24.6765      2.81256  53.6462     305.916     9.68169     125.916     
1 1 1 10 7  49 o 21.4946 5.23989 2.22252      2.24213  3.85655      2.08723  15.6746     165.036     8.07152     165.036     
1 1 1 10 7  50 o 14.5555 4.55399 -0.0770351   2.02629  0.396092     2.00984  3.85335     208.654     13.6915     28.6535     
1 1 1 10 7  51 o 21.8764 5.16958 2.86648      2.12351  3.89416      2.02006  8.56561     21.7217     18.8712     201.722     
1 1 1 10 7  52 o 19.9996 5.01655 0.669429     2.14782  4.48085      2.15526  10.0574     50.6859     11.3274     230.686     
1 1 1 10 7  53 o 15.0583 4.56292 1.95131      1.98007  -0.924741    2.03542  6.93367     251.312     2.59727     251.312     
1 1 1 10 7  54 f 12.1189 4.01538 -0.336502    1.89419  -1.53983     1.89605  5.42522     193.596     0           0           
1 1 1 10 7  55 o 22.1207 5.17152 6.11703      2.33821  1.54133      2.27025  20.2556     270.976     7.91602     270.976     
1 1 1 10 7  56 o 16.0095 4.81057 2.98812      2.24016  -0.813686    2.22783  9.64769     155.765     1.84765     335.765     
1 1 1 10 7  57 o 32.6408 4.78181 5.03609      2.38003  11.5592      2.3812   28.549      318.308     3.53492     318.308     
1 1 1 10 7  58 o 14.77   4.64219 -0.0643881   2.19202  1.61426      2.12326  1.40269     55.333      0.657801    235.333     
1 1 1 10 7  59 o 13.7772 4.43027 -0.429272    2.11372  1.41716      2.07683  2.9106      10.2133     0.254128    190.213     
1 1 1 10 7  60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 8  0  o 300.525 1.92514 491.95       8.90744  491.95       8.90744  440.126     180         300.484     180         
1 1 1 10 8  1  o 96.0981 2.2099  47.2315      3.25958  53.5971      3.26237  66.3181     202.372     303.401     202.372     
1 1 1 10 8  2  o 158.834 2.00951 132.802      4.90656  142.132      4.91963  87.6366     67.8495     114.478     247.85      
1 1 1 10 8  3  o 385.793 2.05272 791.572      12.1833  830.237      12.2014  415.912     197.646     97.8254     197.646     
1 1 1 10 8  4  o 318.319 2.05507 549.611      10.0744  554.377      10.0724  302.013     298.903     0.477431    298.901     
1 1 1 10 8  5  o 164.138 2.13225 151.455      5.39853  142.171      5.37684  110.341     82.7763     79.9726     262.776     
1 1 1 10 8  6  o 258.323 1.9308  360.645      7.68602  366.389      7.67454  221.948     3.12812     43.4862     183.128     
1 1 1 10 8  7  f 177.058 1.97372 166.581      5.38107  175.04       5.37913  212.764     182.175     0           0           
1 1 1 10 8  8  o 105.765 2.26663 63.4525      3.69228  58.6149      3.67846  75.9629     235.728     49.6632     235.728     
1 1 1 10 8  9  o 30.9838 4.14163 4.6728       1.91617  6.19698      1.87987  14.5523     7.46028     38.7096     7.46029     
1 1 1 10 8  10 o 129.118 2.04456 95.1497      4.08512  86.6237      4.04043  122.752     154.966     18.0453     154.966     
1 1 1 10 8  11 o 141.123 2.01231 105.837      4.36995  111.23       4.37422  138.96      133.037     24.4485     133.037     
1 1 1 10 8  12 o 162.145 2.06211 139.929      5.3193   146.648      4.96151  118.366     344.854     64.5159     164.854     
1 1 1 10 8  13 f 117.346 2.2702  68.8537      4.34819  81.6051      3.75538  53.7635     186.869     0           0           
1 1 1 10 8  14 o 121.941 2.12977 74.8839      4.09351  87.5111      3.86056  148.758     16.1647     95.6062     16.1647     
1 1 1 10 8  15 o 266.31  1.91835 385.969      7.8699   387.007      7.86397  295.88      324.608     88.2108     324.608     
1 1 1 10 8  16 o 58.2283 2.4826  18.0946      2.20935  19.0257      2.22121  28.04       267.915     6.15866     87.9151     
1 1 1 10 8  17 o 115.76  2.14539 73.5161      3.95125  72.6931      3.68761  88.207      162.692     33.0663     342.692     
1 1 1 10 8  18 o 132.374 2.08285 95.68        4.39585  95.379       4.09053  133.083     87.7123     26.8747     87.7123     
1 1 1 10 8  19 o 91.5911 2.14893 45.6095      3.02063  45.9742      3.0327   91.8139     211.636     38.4188     211.636     
1 1 1 10 8  20 o 86.5794 2.29816 41.9535      3.20418  39.9446      2.91163  48.8875     48.2723     53.3619     228.272     
1 1 1 10 8  21 o 70.3816 2.61504 25.6985      2.81096  28.5588      2.83243  33.3287     314.565     52.1644     134.565     
1 1 1 10 8  22 o 277.82  2.15934 403.514      8.84354  438.77       9.63627  272.18      320.22      20.2471     320.22      
1 1 1 10 8  23 o 135.404 2.40305 105.349      4.29927  94.9578      5.55815  141.43      118.99      34.318      118.99      
1 1 1 10 8  24 o 172.568 2.06417 159.844      5.28091  165.01       5.68747  135.787     260.571     51.146      80.5708     
1 1 1 10 8  25 o 80.6899 2.53509 35.7613      3.15467  35.4674      3.1295   43.0625     79.5251     58.0765     259.525     
1 1 1 10 8  26 o 181.342 2.15921 189.264      6.03959  169.847      6.00789  163.848     194.672     10.3662     14.6718     
1 1 1 10 8  27 o 112.676 2.25695 63.8091      4.02006  75.1307      3.75797  104.413     277.36      4.04744     277.36      
1 1 1 10 8  28 o 210.041 2.13422 233.335      6.87986  248.378      6.92216  205.788     197.333     19.2191     197.333     
1 1 1 10 8  29 o 101.897 2.55737 55.4654      4.00319  58.2271      4.00794  97.9102     209.111     10.304      209.111     
1 1 1 10 8  30 o 120.775 2.25987 77.3378      4.19094  82.2419      4.20492  98.7767     297.581     25.3741     117.581     
1 1 1 10 8  31 o 54.7217 2.80688 17.1423      2.35847  15.8674      2.33773  27.7803     296.597     39.3966     116.597     
1 1 1 10 8  32 o 101.928 2.55003 55.6423      4.00062  58.3875      3.98962  87.9787     78.0862     9.63993     258.086     
1 1 1 10 8  33 o 49.752  3.2694  14.3941      2.36697  13.1382      2.5651   16.2197     183.896     54.107      3.89648     
1 1 1 10 8  34 o 16.6453 4.60744 1.46387      1.6838   0.271647     1.82081  1.61118     188.201     6.17611     188.201     
1 1 1 10 8  35 o 96.9213 2.31062 53.6893      3.44293  49.6395      3.44032  98.1307     200.577     19.637      200.577     
1 1 1 10 8  36 o 55.3774 2.77756 18.2618      2.46105  15.8336      2.24671  56.7209     355.01      16.2159     355.01      
1 1 1 10 8  37 o 88.0044 2.44714 46.0193      3.27948  39.6883      3.32237  90.7495     194.792     20.8927     194.792     
1 1 1 10 8  38 o 30.5047 4.70543 5.97298      2.16111  5.10168      2.13753  25.5308     186.344     3.3895      186.344     
1 1 1 10 8  39 o 17.527  4.58833 0.61397      1.66389  2.13749      1.71533  1.57333     212.603     28.2558     212.603     
1 1 1 10 8  40 o 35.3252 3.64917 8.22749      1.91344  6.25496      1.90762  26.6464     224.701     7.12774     44.7008     
1 1 1 10 8  41 o 55.7605 2.71948 17.9189      2.31533  16.9554      2.32441  57.8063     323.733     16.4688     323.733     
1 1 1 10 8  42 o 21.7669 4.76205 2.89096      1.7573   2.78208      1.76026  6.49886     73.9861     3.76636     73.9861     
1 1 1 10 8  43 f 52.0521 3.20431 16.6895      2.45848  14.3667      2.59813  44.1542     8.67074     0           0           
1 1 1 10 8  44 o 59.5599 3.02887 21.2159      2.6665   19.3574      2.83456  61.5586     250.968     16.8627     250.968     
1 1 1 10 8  45 o 27.5954 4.98326 4.05213      2.03339  5.74876      2.24114  25.4492     276.443     8.85497     276.443     
1 1 1 10 8  46 o 57.6967 3.0581  18.3541      2.67899  20.0353      2.7124   60.14       342.866     18.3867     342.866     
1 1 1 10 8  47 o 33.139  4.5497  9.96192      2.32642  4.37276      2.14925  29.6017     286.895     3.82479     286.895     
1 1 1 10 8  48 f 22.8707 5.50392 3.0819       2.30937  4.04784      2.35199  24.8543     271.405     0           0           
1 1 1 10 8  49 o 17.5568 5.06966 1.49136      2.25179  1.56122      2.08834  10.8116     35.9098     1.69737     215.91      
1 1 1 10 8  50 o 20.5374 5.14403 4.56975      2.29589  0.910026     2.10396  16.0592     186.55      1.23482     186.55      
1 1 1 10 8  51 o 26.228  5.60459 4.95722      2.74884  5.43139      2.23346  22.4199     254.043     3.11407     254.043     
1 1 1 10 8  52 o 29.3436 5.08169 5.68916      2.40205  6.81851      2.18246  19.6537     105.292     10.3243     285.292     
1 1 1 10 8  53 o 13.5315 4.35805 -0.117602    2.03653  -0.150285    1.96178  7.26896     295.123     1.51406     115.123     
1 1 1 10 8  54 f 47.9077 3.67198 17.2654      2.63035  12.6193      2.61965  35.0735     321.831     0           0           
1 1 1 10 8  55 o 22.3746 5.43195 4.51058      2.355    3.92869      2.16386  19.8623     104.012     12.5858     104.012     
1 1 1 10 8  56 o 30.809  5.52877 8.35123      2.64865  7.3859       2.61333  26.9575     349.801     3.35589     349.801     
1 1 1 10 8  57 o 13.8575 4.44461 -1.9585      2.30233  1.48278      2.0789   2.24006     33.0675     4.45542     213.067     
1 1 1 10 8  58 o 19.6233 5.15491 1.67999      2.22415  4.90851      2.2395   12.9155     39.5121     0.0879406   219.511     
1 1 1 10 8  59 o 15.0429 4.6496  -0.273481    2.09483  2.72592      2.17115  7.99145     216.259     3.76246     36.2589     
1 1 1 10 9  0  o 25.426  5.35047 4.3431       1.82293  4.3431       1.82293  47.1595     180         109.183     180         
1 1 1 10 9  1  f 59.6301 2.61541 17.2414      2.3684   21.803       2.38701  73.4963     346.24      0           0           
1 1 1 10 9  2  o 148.521 2.10437 133.143      4.63649  107.883      4.91592  117.168     256.262     35.24       76.262      
1 1 1 10 9  3  o 296.99  2.05481 478.458      9.39845  482.645      9.39598  293.778     93.6878     25.5184     93.6878     
1 1 1 10 9  4  o 90.1765 2.38057 39.0859      3.27289  50.005       3.29078  25.639      40.165      103.429     220.165     
1 1 1 10 9  5  o 117.414 2.22442 75.7924      4.01588  74.5612      4.02033  49.1422     218.732     113.258     38.7323     
1 1 1 10 9  6  o 215.593 1.94647 247.803      6.46124  258.721      6.46065  186.183     106.391     31.6475     286.391     
1 1 1 10 9  7  o 283.134 1.99137 434.461      8.96307  439.099      8.38866  258.015     20.4625     19.8768     200.463     
1 1 1 10 9  8  o 225.892 2.06989 263.882      7.1835   292.588      7.20327  234.657     117.698     46.6045     117.698     
1 1 1 10 9  9  o 204.412 2.08755 227.839      6.57428  227.557      6.56777  176.411     93.1684     29.8948     273.168     
1 1 1 10 9  10 o 158.418 1.98561 129.698      4.82894  143.995      4.84985  163.408     127.072     37.6734     127.072     
1 1 1 10 9  11 o 37.6193 3.25291 8.65845      1.85336  7.06058      1.82218  6.76966     288.252     33.9099     288.252     
1 1 1 10 9  12 o 84.1752 2.23272 37.2973      2.87892  40.0832      2.89668  55.6795     91.5922     35.2757     91.5922     
1 1 1 10 9  13 o 123.286 2.05155 89.9202      3.90572  76.1005      3.86341  119.627     122.216     17.7461     122.216     
1 1 1 10 9  14 o 256.324 1.92103 359.684      7.58635  356.451      7.57862  243.164     174.138     2.44759     174.137     
1 1 1 10 9  15 o 240.286 1.92383 311.555      7.119    317.809      7.11729  210.322     65.1542     32.2359     245.154     
1 1 1 10 9  16 o 333.603 1.91579 608.681      9.85566  604.492      9.82757  343.924     201.191     56.4889     201.191     
1 1 1 10 9  17 o 54.9621 2.67495 19.0651      2.33699  14.2358      2.14937  21.9342     137.666     14.4562     317.666     
1 1 1 10 9  18 o 164.307 2.07725 146.273      5.43563  148.116      5.06687  145.771     182.642     12.1409     2.64203     
1 1 1 10 9  19 o 50.7477 2.97089 15.1924      2.27021  13.1648      2.3173   24.8708     148.409     133.197     148.409     
1 1 1 10 9  20 o 205.092 1.95325 228.739      6.15899  229.913      6.17848  212.432     94.4616     42.1942     94.4616     
1 1 1 10 9  21 o 40.0544 3.20486 11.0095      1.89753  6.98423      1.89337  11.7235     251.854     82.7939     251.854     
1 1 1 10 9  22 o 141.266 2.11691 110.701      4.7784   107.002      4.42992  144.817     133.306     29.6294     133.306     
1 1 1 10 9  23 o 48.9135 3.26732 15.5618      2.39697  11.0319      2.4016   26.0537     124.968     16.843      304.968     
1 1 1 10 9  24 o 85.3061 2.49911 40.5965      3.26408  38.9987      3.28596  29.2745     148.578     95.7129     328.578     
1 1 1 10 9  25 o 193.958 1.98545 202.892      5.91687  207.508      5.94289  179.611     180.976     2.05038     0.975592    
1 1 1 10 9  26 o 127.841 2.2832  85.2418      4.12753  93.3437      4.85398  109.727     1.53975     15.079      181.54      
1 1 1 10 9  27 o 138.165 2.59489 97.7305      5.23     111.278      5.80687  144.889     173.186     36.0285     173.186     
1 1 1 10 9  28 o 24.1107 5.45444 3.54986      2.30623  2.75831      2.28778  15.8321     246.33      62.4661     246.33      
1 1 1 10 9  29 o 180.34  2.14066 180.342      5.95045  175.005      5.93811  178.99      157.952     23.0552     157.952     
1 1 1 10 9  30 o 119.992 2.28729 78.3789      4.22835  79.2162      4.21643  101.49      164.268     17.3892     344.268     
1 1 1 10 9  31 o 91.7625 2.65461 48.9858      3.75889  43.5779      3.71968  88.6711     263.933     12.616      263.933     
1 1 1 10 9  32 o 195.225 2.14311 197.688      6.42117  219.822      6.45219  231.49      211.27      102.402     211.27      
1 1 1 10 9  33 o 49.5354 2.88164 14.6245      2.18313  12.605       2.16523  33.4883     37.9287     17.6256     217.929     
1 1 1 10 9  34 o 43.6727 3.33149 9.61988      2.05486  11.8015      2.35834  37.3582     223.335     3.13414     223.335     
1 1 1 10 9  35 o 83.2261 2.50267 34.3037      3.05093  42.3494      3.34667  88.533      9.18571     26.613      9.1857      
1 1 1 10 9  36 o 60.8159 2.55714 20.5347      2.39094  20.4502      2.37695  81.7749     167.694     58.7386     167.694     
1 1 1 10 9  37 o 39.5699 3.34257 9.11619      2.04751  8.63074      1.94585  28.7742     163.233     11.1706     343.233     
1 1 1 10 9  38 o 29.0956 4.39778 3.84079      1.91573  6.28301      1.92393  25.3023     119.367     8.37719     119.367     
1 1 1 10 9  39 o 35.1768 3.75528 7.29258      1.90252  7.04214      2.03319  34.3106     305.459     10.9231     305.459     
1 1 1 10 9  40 o 70.032  2.53704 26.8744      2.82336  27.8172      2.62169  67.6851     352.145     9.36392     352.145     
1 1 1 10 9  41 o 17.3436 4.82156 1.41715      2.083    1.05448      1.68341  0.180622    33.5563     26.9148     33.5562     
1 1 1 10 9  42 o 37.5212 3.6309  9.64209      2.02484  6.87176      2.00673  31.6287     17.222      2.58984     197.222     
1 1 1 10 9  43 o 17.0724 4.5833  2.30593      1.78622  0.181091     1.70026  4.66272     157.077     16.0117     337.077     
1 1 1 10 9  44 o 21.3752 4.76965 3.51628      1.7862   2.07331      1.7994   10.6907     55.1975     11.5243     235.198     
1 1 1 10 9  45 f 47.9857 3.07903 13.1672      2.2652   13.4259      2.23494  51.3872     326.425     0           0           
1 1 1 10 9  46 f 40.4584 4.04544 9.48645      2.42953  10.4201      2.46724  27.0458     302.658     0           0           
1 1 1 10 9  47 o 20.6333 5.51471 2.88304      2.39411  2.31469      2.41389  11.7064     17.4026     6.88317     197.403     
1 1 1 10 9  48 o 22      5.36701 3.38603      1.96945  3.17725      2.49336  16.857      341.164     1.05968     341.164     
1 1 1 10 9  49 o 14.3799 4.61104 -2.2016      2.42308  0.756108     2.19527  6.8593      232.086     1.37195     52.0862     
1 1 1 10 9  50 o 21.6972 5.61044 3.91978      2.29116  2.75401      2.72414  10.3016     213.591     14.3225     33.5912     
1 1 1 10 9  51 o 15.1121 4.56317 1.48201      1.90463  -0.0872511   1.93531  2.10412     336.244     0.374898    336.244     
1 1 1 10 9  52 o 27.3606 4.96583 7.5494       2.14858  3.57149      2.36166  22.9466     54.1451     0.336979    54.1447     
1 1 1 10 9  53 o 29.3821 5.20705 7.65326      2.49949  5.58433      2.22349  26.5853     337.749     4.35042     337.749     
1 1 1 10 9  54 o 14.7887 4.7165  0.791362     2.26847  0.104541     2.29022  3.70644     156.425     1.06562     156.425     
1 1 1 10 9  55 o 26.3472 5.33205 4.79477      2.4455   6.69089      2.23476  26.6176     14.3384     12.4936     14.3384     
1 1 1 10 9  56 o 13.9817 4.47321 2.00821      2.21703  -3.15425     2.32962  3.70481     281.549     3.52985     101.549     
1 1 1 10 9  57 o 15.7364 4.84239 -0.298932    2.16288  2.74828      2.36911  3.99037     131.829     1.36293     311.829     
1 1 1 10 9  58 o 16.5592 5.02966 1.60413      2.15005  2.87115      2.45942  5.44852     268.88      1.79318     268.88      
1 1 1 10 9  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 10 0  o 315.601 1.9215  542.599      9.33677  542.599      9.33677  358.248     3.07051e-06 112.579     3.07051e-06 
1 1 1 10 10 1  o 129.179 2.04612 90.9112      4.08276  90.9447      4.05753  105.39      258.243     20.2276     78.243      
1 1 1 10 10 2  o 103.138 2.12067 55.74        3.35956  60.337       3.36563  65.2006     223.803     48.9949     43.8034     
1 1 1 10 10 3  o 150.931 2.13169 127.717      4.95849  120.614      4.9476   151.008     87.8144     29.5387     87.8144     
1 1 1 10 10 4  o 142.533 2.1476  107.901      4.71084  113.561      4.71424  100.551     132.951     59.509      312.951     
1 1 1 10 10 5  o 101.377 2.272   53.1         3.53338  59.1253      3.54403  56.481      37.4115     65.1525     217.412     
1 1 1 10 10 6  o 175.755 1.96778 162.231      5.31753  174.521      5.32885  157.44      323.108     10.3777     143.108     
1 1 1 10 10 7  o 278.114 2.05104 416.65       8.78445  426.409      8.78236  261.192     65.7153     2.56049     245.715     
1 1 1 10 10 8  o 133.689 2.17708 93.8848      4.48437  101.012      4.47451  68.7027     289.547     108.653     109.547     
1 1 1 10 10 9  o 138.161 2.15831 102.482      4.59737  105.62       4.5854   145.713     69.511      42.9826     69.511      
1 1 1 10 10 10 o 261.132 1.98846 370.425      7.73016  372.836      8.25461  277.851     5.19858     64.189      5.19858     
1 1 1 10 10 11 o 99.6128 2.10692 56.3313      3.23417  51.9827      3.21893  109.453     140.167     67.5014     140.167     
1 1 1 10 10 12 o 142.115 2.08117 105.875      4.68255  114.388      4.40634  152.715     235.483     48.504      235.483     
1 1 1 10 10 13 o 56.1642 2.55996 15.5799      2.1925   19.0638      2.19401  23.7082     288.846     22.0247     108.846     
1 1 1 10 10 14 o 119.426 2.05444 77.9031      3.77917  77.5994      3.77717  112.62      16.5584     12.6123     16.5584     
1 1 1 10 10 15 o 150.58  1.99399 121.828      4.61791  125.394      4.62868  162.319     313.931     51.4198     313.931     
1 1 1 10 10 16 o 26.259  4.12486 4.07512      1.63823  3.77326      1.61145  18.8861     197.4       51.4786     197.4       
1 1 1 10 10 17 f 180.272 1.96264 182.112      5.45868  172.297      5.43535  141.322     49.9673     0           0           
1 1 1 10 10 18 o 118.907 2.08591 75.8973      3.8195   78.3586      3.81533  70.0515     109.839     76.9708     289.839     
1 1 1 10 10 19 o 175.82  1.9764  168.015      5.35329  169.083      5.34861  192.509     353.803     60.3193     353.803     
1 1 1 10 10 20 o 64.2188 2.58822 22.3031      2.47522  22.8675      2.62194  21.0297     32.4619     68.3687     212.462     
1 1 1 10 10 21 o 62.9213 2.61928 21.2788      2.61244  22.1039      2.43313  33.689      195.211     38.9942     15.2112     
1 1 1 10 10 22 o 77.4901 2.58353 31.6211      3.28782  34.1116      2.82003  52.2233     154.187     31.1507     334.187     
1 1 1 10 10 23 o 66.2111 2.62711 22.7529      2.75311  25.3117      2.56213  57.0545     302.096     8.69208     302.096     
1 1 1 10 10 24 o 72.6221 2.70402 28.4121      3.02223  29.3789      3.00323  67.9079     70.9651     46.1906     70.9651     
1 1 1 10 10 25 o 112.189 2.357   66.2294      4.0555   71.3863      4.07573  64.2351     12.616      76.9298     192.616     
1 1 1 10 10 26 o 34.7693 4.66348 8.57346      2.16476  5.29146      2.56615  3.4125      6.53668     58.5299     6.53668     
1 1 1 10 10 27 o 135.968 2.47517 95.5419      4.67181  106.808      5.68205  156.288     130.317     63.5831     130.317     
1 1 1 10 10 28 o 45.2678 3.58303 11.0942      2.43612  11.7106      2.47286  22.8448     255.294     28.6293     75.2935     
1 1 1 10 10 29 o 131.416 2.66978 92.2714      5.40764  97.13        5.38324  104.309     306.307     33.0524     126.307     
1 1 1 10 10 30 o 78.0091 2.71503 30.623       3.37485  36.413       3.07393  71.016      250.944     4.36789     250.944     
1 1 1 10 10 31 o 66.0753 3.78095 20.5035      2.67977  28.4684      4.89333  56.2907     57.9918     2.51195     237.992     
1 1 1 10 10 32 o 84.9814 2.71215 43.0364      3.01695  36.651       3.90962  82.8757     323.594     13.4134     323.594     
1 1 1 10 10 33 o 50.901  2.81382 13.8417      2.1834   14.8993      2.19036  44.3045     155.202     1.75357     155.202     
1 1 1 10 10 34 o 38.584  3.65861 7.77694      2.18076  9.13192      2.02377  36.0389     73.4135     11.86       73.4135     
1 1 1 10 10 35 o 50.5481 2.94366 12.3611      2.23772  16.2914      2.27159  53.3521     226.507     18.5272     226.507     
1 1 1 10 10 36 o 56.4024 2.677   19.1496      2.31335  16.2996      2.29857  51.5051     337.085     2.55494     337.085     
1 1 1 10 10 37 o 30.9203 4.29996 5.31139      2.10143  5.94794      1.83635  15.4406     223.548     21.1743     43.5482     
1 1 1 10 10 38 o 10.5914 3.60204 -2.18191     1.85764  -2.41283     1.54434  4.66007     324.745     15.8171     324.745     
1 1 1 10 10 39 o 13.8589 4.11144 -1.69097     1.58532  1.27306      1.64585  0.923698    54.9296     15.0165     54.9296     
1 1 1 10 10 40 o 27.8094 4.28965 6.7608       1.8382   2.71927      1.82855  24.895      127.733     6.59459     127.732     
1 1 1 10 10 41 o 50.1997 2.96664 17.1148      2.24707  11.7116      2.22798  53.8107     18.2667     18.829      18.2667     
1 1 1 10 10 42 o 25.4702 4.62855 4.4352       1.82287  3.60986      1.83991  15.2314     310.009     11.874      130.009     
1 1 1 10 10 43 o 18.7104 4.74935 2.41761      1.76736  1.43888      1.75292  5.37663     70.3076     17.4952     250.308     
1 1 1 10 10 44 o 63.3372 2.64427 22.086       2.57179  23.4438      2.56093  56.8999     37.4254     1.28634     37.4255     
1 1 1 10 10 45 o 16.7299 4.63537 0.384066     1.80385  1.96258      1.77708  6.1032      341.893     5.42848     161.893     
1 1 1 10 10 46 o 28.298  5.14102 5.51035      2.26149  5.15471      2.2441   26.9774     115.107     10.7245     115.107     
1 1 1 10 10 47 o 23.2651 5.38322 4.47405      2.34626  3.01299      2.12873  19.6992     278.413     8.54132     278.413     
1 1 1 10 10 48 o 22.0172 5.50663 2.55269      2.35067  4.20956      2.39002  14.7501     291.872     5.25543     111.872     
1 1 1 10 10 49 o 26.6112 5.43061 6.33309      2.21733  3.8866       2.76506  25.6181     37.5965     9.25853     37.5965     
1 1 1 10 10 50 o 19.8442 5.27547 3.05038      2.20913  2.38416      2.17989  14.2585     98.4626     3.59727     98.4626     
1 1 1 10 10 51 o 20.4607 5.22501 1.82858      2.22591  4.15735      2.18541  12.037      109.192     8.28518     289.192     
1 1 1 10 10 52 o 21.883  5.26524 2.56578      2.23159  4.81827      2.18731  20.5412     82.6514     8.37266     82.6514     
1 1 1 10 10 53 o 19.6117 5.14395 4.03284      2.094    1.62397      2.30711  13.9606     135.274     1.60515     315.274     
1 1 1 10 10 54 o 20.6277 5.48407 3.05206      2.21534  4.20705      2.51691  17.3701     69.5457     8.23084     69.5457     
1 1 1 10 10 55 o 23.1547 5.37222 3.3301       2.20816  5.86781      2.35001  15.7085     261.628     4.76337     81.6284     
1 1 1 10 10 56 o 24.3052 5.82829 4.15547      2.84267  6.82074      2.63243  17.8463     279.713     1.16965     279.713     
1 1 1 10 10 57 o 21.1916 5.48594 4.73752      2.24261  3.71134      2.54894  12.2752     108.075     6.95868     288.075     
1 1 1 10 10 58 o 17.1416 4.96275 3.7289       2.18058  1.05298      2.20949  11.9632     350.216     2.70364     350.216     
1 1 1 10 11 0  o 197.152 1.9566  211.839      5.93745  211.839      5.93745  202.299     180         29.1277     180         
1 1 1 10 11 1  o 91.6423 2.17336 46.0335      3.06545  45.6216      3.05989  88.4077     130.313     40.2476     130.313     
1 1 1 10 11 2  o 184.753 1.96385 194.657      5.59842  177.562      5.56834  172.457     30.8285     2.37032     30.8286     
1 1 1 10 11 3  o 99.3793 2.37295 52.6211      3.47978  55.2066      3.77212  76.1235     268.489     20.2583     88.4894     
1 1 1 10 11 4  o 184.254 2.0966  183.009      5.95365  187.076      5.94309  119.382     335.483     105.268     155.483     
1 1 1 10 11 5  o 122.96  2.18348 86.2845      4.14456  78.6878      4.11501  99.358      29.6028     23.1599     209.603     
1 1 1 10 11 6  o 85.8275 2.22424 36.8242      2.91029  43.7461      2.94538  39.7899     147.135     70.3455     327.135     
1 1 1 10 11 7  o 100.244 2.28613 56.2943      3.52891  53.4097      3.51823  78.0919     116.256     19.3774     296.256     
1 1 1 10 11 8  o 131.878 2.17282 93.3744      4.41221  96.2547      4.41201  120.779     310.454     3.13828     310.454     
1 1 1 10 11 9  o 194.438 2.0324  215.171      5.87828  197.162      6.26072  187.647     6.11031     14.069      6.11031     
1 1 1 10 11 10 o 51.6823 2.80119 13.9984      2.28755  15.3383      2.12149  10.0968     163.951     49.3976     343.951     
1 1 1 10 11 11 f 71.6284 2.3481  26.8939      2.58177  29.2093      2.58055  52.6399     13.406      0           0           
1 1 1 10 11 12 o 127.111 2.04449 86.9116      3.99858  89.2606      4.00459  94.0366     239.18      42.4148     59.1795     
1 1 1 10 11 13 o 59.5261 2.50591 19.1512      2.29212  19.6486      2.28062  3.22507     258.088     89.5862     78.0877     
1 1 1 10 11 14 o 264.175 1.92224 374.745      7.81088  386.158      7.82742  258.37      227.084     22.5044     227.084     
1 1 1 10 11 15 o 111.319 2.08048 67.3573      3.56964  67.8762      3.5567   68.0305     220.001     64.5124     40.0007     
1 1 1 10 11 16 o 302.348 1.91149 507.494      8.91403  489.302      8.88343  278.001     344.126     11.351      164.126     
1 1 1 10 11 17 o 17.3212 4.2624  2.32577      1.50627  0.284199     1.46387  17.2789     20.3891     40.1184     20.3891     
1 1 1 10 11 18 o 168.514 1.98275 152.974      5.14075  156.721      5.14899  170.464     255.154     29.8934     255.154     
1 1 1 10 11 19 f 195.142 1.97483 214.056      5.94446  201.343      5.92069  157.683     223.989     0           0           
1 1 1 10 11 20 o 87.3474 2.31843 38.6281      3.09163  44.8655      3.12302  64.7336     238.958     25.2003     58.9583     
1 1 1 10 11 21 o 45.0776 3.0094  11.5006      2.07278  10.9108      2.05491  6.5853      13.0104     56.3686     193.01      
1 1 1 10 11 22 o 36.287  3.53768 7.67818      1.9055   7.01722      1.93738  1.77409     22.4253     39.8684     202.425     
1 1 1 10 11 23 o 21.133  4.7031  2.33858      1.71054  2.51834      1.70579  14.9063     60.9881     42.3312     60.9881     
1 1 1 10 11 24 o 110.498 2.36305 63.7041      4.02369  69.8346      4.00119  125.621     202.212     54.3832     202.212     
1 1 1 10 11 25 o 133.535 2.27302 95.2809      4.66355  99.5144      4.68318  159.031     196.077     75.5531     196.077     
1 1 1 10 11 26 o 88.3299 2.94014 41.9438      4.14963  43.71        3.80986  65.5226     16.4981     28.6013     196.498     
1 1 1 10 11 27 o 64.144  3.20252 23.5429      3.2885   21.8521      2.99816  45.5048     248.744     20.8756     68.7444     
1 1 1 10 11 28 f 128.656 2.76663 91.5552      4.80935  90.0863      6.05548  104.59      74.0459     0           0           
1 1 1 10 11 29 o 31.099  4.5481  7.22955      2.03322  4.02042      2.18286  8.76102     138.018     14.1841     318.018     
1 1 1 10 11 30 o 73.8313 2.83638 28.9127      3.1844   31.2037      3.23908  81.5549     283.365     35.9331     283.365     
1 1 1 10 11 31 o 26.2366 5.02709 3.50785      2.09353  4.50104      2.08796  4.87721     191.868     21.2552     11.868      
1 1 1 10 11 32 o 112.059 2.13657 65.1957      3.67102  72.735       3.68842  117.817     197.867     32.066      197.867     
1 1 1 10 11 33 o 37.6048 3.38425 8.38376      1.91936  7.58879      1.90735  26.4091     104.84      9.51488     284.84      
1 1 1 10 11 34 o 36.0293 3.98295 7.01046      2.14336  7.92989      2.12382  24.3693     27.396      12.5222     207.396     
1 1 1 10 11 35 o 38.7877 4.28717 7.72784      2.51774  9.78482      2.39057  42.8671     44.6687     29.4821     44.6687     
1 1 1 10 11 36 o 28.7987 4.40756 4.6339       1.84232  5.20459      1.95464  12.1717     165.9       23.4881     345.9       
1 1 1 10 11 37 o 22.9308 4.51985 4.56371      1.78812  1.62543      1.73278  14.1003     310.964     0.80992     130.964     
1 1 1 10 11 38 o 34.6493 3.96783 5.55141      2.00833  8.6372       2.01589  27.7844     4.95238     2.63849     184.952     
1 1 1 10 11 39 o 43.757  3.27572 10.2201      2.08941  11.657       2.25866  40.3314     306.863     4.47746     306.863     
1 1 1 10 11 40 o 53.2199 2.96246 16.3887      2.39855  15.705       2.41648  41.5709     32.3202     11.7598     212.32      
1 1 1 10 11 41 o 35.0513 3.75598 7.55368      1.96669  6.94037      1.95825  31.2663     74.1931     2.33506     74.1931     
1 1 1 10 11 42 o 24.1257 4.68815 2.42379      1.86619  4.83688      1.85984  16.1599     237.099     5.70243     57.0986     
1 1 1 10 11 43 o 23.596  4.78168 2.71952      1.84412  4.32116      1.87301  16.5047     20.3376     2.58081     200.338     
1 1 1 10 11 44 o 19.5511 4.82426 1.41787      1.79844  3.01775      1.8615   10.0365     79.5038     6.43795     259.504     
1 1 1 10 11 45 o 60.3964 3.22095 22.9934      2.98573  19.7328      2.94837  63.4576     63.1097     21.0169     63.1097     
1 1 1 10 11 46 o 29.6807 4.59053 7.16065      2.05372  4.40681      2.05821  30.6016     7.00705     15.0403     7.00705     
1 1 1 10 11 47 o 25.6907 5.17622 5.74225      2.29697  3.54883      2.0581   20.7118     19.8484     0.0541347   19.8491     
1 1 1 10 11 48 o 19.0283 5.48004 2.89045      2.55022  1.17503      2.58945  13.5221     287.624     5.58557     287.624     
1 1 1 10 11 49 o 19.6006 5.29078 2.65774      2.33608  2.52032      2.10769  10.7118     160         8.1544      340         
1 1 1 10 11 50 o 29.5658 4.95606 7.71997      2.18416  4.8706       2.35186  25.6452     4.37463     2.46333     4.37462     
1 1 1 10 11 51 o 20.0172 5.32161 3.57288      2.22927  2.40069      2.27963  17.9548     26.8749     7.98585     26.8749     
1 1 1 10 11 52 o 12.8211 4.22312 -0.4069      2.09106  -0.854075    1.97178  2.89149     181.151     0.0603206   1.15091     
1 1 1 10 11 53 o 13.0546 4.30373 -0.223773    1.97109  -0.940403    2.29284  0.69731     323.868     17.3999     143.868     
1 1 1 10 11 54 o 15.7036 4.76853 -0.141151    2.1337   2.44198      2.1727   6.50642     276.186     9.65097     96.1857     
1 1 1 10 11 55 o 13.8717 4.41312 1.67683      2.05272  -2.06265     2.20235  2.10904     225.328     2.13756     45.3285     
1 1 1 10 11 56 o 15.5243 4.80978 -0.191712    2.31778  2.36694      2.24625  4.67655     352.297     1.99012     172.297     
1 1 1 10 11 57 o 12.4921 4.23246 -0.0908874   2.08366  -2.24984     2.74058  3.15754     151.755     2.85986     331.755     
1 1 1 10 11 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 12 0  o 55.9719 2.61703 17.2951      2.23268  17.2951      2.23268  24.6596     180         5.98784     8.68251e-06 
1 1 1 10 12 1  o 233.157 1.93369 296.212      6.94631  296.34       6.93897  260.568     95.7333     87.6145     95.7333     
1 1 1 10 12 2  o 31.6648 4.00391 3.61918      1.76315  8.05402      1.94854  14.6154     190.688     50.5508     190.688     
1 1 1 10 12 3  f 58.481  2.71864 17.7846      2.42716  19.7187      2.43747  100.283     308.944     0           0           
1 1 1 10 12 4  o 171.376 2.1097  159.56       5.57568  160.649      5.5592   120.957     218.658     75.3729     38.6578     
1 1 1 10 12 5  o 224.985 2.072   282.491      7.19429  269.448      7.16045  255.258     112.31      93.3577     112.31      
1 1 1 10 12 6  o 146.116 2.00837 126.819      4.54307  106.382      4.47432  132.552     321.931     0.650805    141.931     
1 1 1 10 12 7  o 220.103 2.07976 262.515      7.0495   265.702      7.04839  217.085     68.1648     25.1702     68.1648     
1 1 1 10 12 8  o 127.174 2.19849 84.6935      4.30054  91.8083      4.30126  127.817     261.439     30.0515     261.439     
1 1 1 10 12 9  o 91.7851 2.19394 44.6733      3.09115  47.325       3.1      51.3857     358.083     57.1378     178.083     
1 1 1 10 12 10 o 140.095 2.02592 107.625      4.37408  106.376      4.36688  162.028     203.241     76.4856     203.241     
1 1 1 10 12 11 o 74.8995 2.35641 32.0713      2.79846  29.2817      2.62447  59.6451     132.121     16.508      132.121     
1 1 1 10 12 12 o 133.146 2.04382 95.4022      4.19864  97.9229      4.18148  108.211     246.804     24.7129     66.8037     
1 1 1 10 12 13 f 49.2937 2.74503 13.1879      2.08107  13.5061      2.05191  87.9063     215.606     0           0           
1 1 1 10 12 14 o 164.826 1.98234 146.677      5.02756  149.583      5.03506  133.329     19.9396     37.1464     199.94      
1 1 1 10 12 15 o 149.611 2.00775 119.678      4.6204   124.449      4.62955  106.519     37.0289     62.4028     217.029     
1 1 1 10 12 16 o 226.918 1.93884 277.789      6.76798  283.737      6.7813   288.652     38.1751     157.701     38.1751     
1 1 1 10 12 17 f 32.421  3.69798 5.33791      1.77064  6.48546      1.78617  44.0891     357.294     0           0           
1 1 1 10 12 18 o 77.2468 2.61586 35.2632      3.10979  30.1426      3.08255  80.7968     319.371     39.3583     319.371     
1 1 1 10 12 19 o 90.8137 2.24203 43.525       3.12864  46.6048      3.12962  25.5145     170.958     112.993     350.958     
1 1 1 10 12 20 o 54.0939 2.7794  17.7108      2.28942  14.5109      2.29039  24.2279     354.067     37.9061     174.067     
1 1 1 10 12 21 o 188.912 1.99753 198.102      5.81252  191.286      5.80801  197.817     289.295     47.9066     289.295     
1 1 1 10 12 22 o 150.33  2.05518 116.13       4.74438  130.707      4.75912  162.823     150.064     51.4962     150.064     
1 1 1 10 12 23 o 71.7559 2.69513 27.7905      2.97615  28.6689      2.95762  56.0585     62.1572     12.1032     242.157     
1 1 1 10 12 24 o 67.5733 3.22108 26.6047      2.87487  23.7139      3.67722  38.7863     306.685     41.4905     126.685     
1 1 1 10 12 25 o 74.7419 2.52381 28.5797      2.77419  32.7402      3.01997  88.1144     359.709     51.1603     359.709     
1 1 1 10 12 26 o 133.426 2.09194 97.8219      4.29272  96.7307      4.30334  117.782     277.653     8.30413     97.653      
1 1 1 10 12 27 o 20.871  5.08539 3.46737      2.27461  0.875453     1.83462  7.3199      330.306     29.7258     330.306     
1 1 1 10 12 28 o 171.367 2.45289 164.048      6.74218  157.853      6.20067  167.004     250.046     19.9851     250.046     
1 1 1 10 12 29 o 71.8755 3.01253 28.3254      3.63298  28.7509      2.96284  56.7351     225.985     13.3954     45.9849     
1 1 1 10 12 30 o 102.923 2.42675 57.677       3.99581  58.7659      3.67539  73.3895     283.724     40.0387     103.724     
1 1 1 10 12 31 o 27.7378 4.9946  4.08722      2.40819  4.89524      1.90559  10.8202     23.7501     0.284155    203.75      
1 1 1 10 12 32 o 56.4604 3.36541 16.6021      3.16193  19.1343      2.5279   47.223      349.501     4.91222     169.501     
1 1 1 10 12 33 o 51.1246 3.00553 13.5066      2.32322  15.7497      2.35692  40.0829     266.949     10.1371     86.9487     
1 1 1 10 12 34 o 42.7126 3.18816 10.0332      2.01999  10.5385      2.11098  47.681      337.66      24.8456     337.66      
1 1 1 10 12 35 o 42.3622 3.27591 10.5957      2.09198  9.74299      2.10775  40.4214     120.353     8.63933     120.353     
1 1 1 10 12 36 o 43.3884 3.21818 9.82697      2.14876  11.563       2.06375  50.0462     321.514     28.2535     321.514     
1 1 1 10 12 37 o 60.1868 2.60508 19.4206      2.37578  21.0603      2.42866  60.3202     323.963     14.1832     323.963     
1 1 1 10 12 38 o 33.99   4.2901  8.3028       2.06676  5.52741      2.20102  26.8987     79.5436     3.53095     259.544     
1 1 1 10 12 39 f 42.9047 3.75028 12.2552      2.2591   9.24817      2.48819  29.2341     114.525     0           0           
1 1 1 10 12 40 o 65.7483 2.68606 23.1812      2.59884  25.6031      2.81845  57.1979     31.3915     2.94654     211.392     
1 1 1 10 12 41 o 24.3144 4.75472 3.22189      1.84787  4.18905      1.85362  8.86804     175.314     22.3119     355.314     
1 1 1 10 12 42 o 25.8328 4.75598 4.11025      1.8991   4.35384      1.92195  17.5651     287.916     5.89531     107.916     
1 1 1 10 12 43 f 17.8723 4.78958 1.9131       1.80805  1.37038      1.82951  18.1942     95.3256     0           0           
1 1 1 10 12 44 o 75.2649 3.28347 30.0501      4.02999  36.2755      3.40551  69.6224     52.8969     6.2425      52.8969     
1 1 1 10 12 45 o 25.2693 5.1352  4.48008      2.12186  4.1765       2.08759  22.8332     109.268     11.2833     109.268     
1 1 1 10 12 46 o 22.8175 4.72982 0.960595     2.13852  5.62172      1.99054  17.0001     76.3778     1.60094     256.378     
1 1 1 10 12 47 o 27.6242 5.5355  6.33087      2.49495  4.84507      2.46699  15.8668     348.99      14.6035     168.99      
1 1 1 10 12 48 o 33.2707 4.37823 7.5674       2.15331  7.04582      2.16639  31.3579     313.822     7.25682     313.822     
1 1 1 10 12 49 o 17.2602 4.77656 3.50966      2.13905  -0.895088    2.02459  10.7487     168.156     1.19117     168.156     
1 1 1 10 12 50 o 14.5843 4.65015 0.296276     2.081    0.0802653    2.3415   8.17361     223.424     2.48906     43.4237     
1 1 1 10 12 51 f 18.7364 5.14783 3.36237      2.09213  1.4612       2.36324  19.4782     158.675     0           0           
1 1 1 10 12 52 o 24.736  5.53501 5.62981      2.36601  4.58784      2.39138  19.2017     78.6357     0.946559    258.636     
1 1 1 10 12 53 o 18.8031 5.18111 3.99989      2.25925  1.37895      2.28311  14.2677     281.775     3.80203     281.775     
1 1 1 10 12 54 o 15.1959 4.76136 -0.142932    2.16806  1.9457       2.31681  4.29264     219.667     0.784312    39.6668     
1 1 1 10 12 55 o 19.9954 4.97591 5.56811      2.23893  0.370864     2.26147  11.86       149.3       1.68186     329.3       
1 1 1 10 12 56 o 15.6744 4.86536 0.449545     2.42748  2.51379      2.23895  6.75357     272.373     5.85583     92.3725     
1 1 1 10 12 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 13 0  o 290.683 1.93019 460.43       8.63821  460.43       8.63821  340.605     4.33354e-06 133.594     4.33354e-06 
1 1 1 10 13 1  o 213.986 2.01984 256.89       6.43583  242.468      6.8527   226.846     295.118     59.0642     295.118     
1 1 1 10 13 2  o 228.588 1.94394 277.935      6.83486  291.814      6.84775  244.181     316.183     65.7446     316.183     
1 1 1 10 13 3  o 140.838 2.15389 110.345      4.68183  105.989      4.65969  141.151     2.38934     30.0733     2.38934     
1 1 1 10 13 4  o 78.3796 2.4118  33.9376      2.91179  33.2129      2.89606  37.0891     341.522     57.496      161.522     
1 1 1 10 13 5  o 171.006 2.05115 163.743      5.58663  155.183      5.21667  150.91      41.3565     11.2838     221.356     
1 1 1 10 13 6  o 157.115 2.17334 134.771      5.64445  134.453      4.84202  143.289     242.268     0.861298    242.267     
1 1 1 10 13 7  o 220.829 2.08604 269.83       7.10292  261.997      7.08348  209.572     251.182     10.5502     251.182     
1 1 1 10 13 8  o 15.6329 4.32323 1.77043      1.67537  -0.989019    1.62216  43.0124     20.2403     94.1566     20.2403     
1 1 1 10 13 9  o 185.046 1.97318 185.612      5.62999  187.765      5.61495  134.079     26.9099     73.6305     206.91      
1 1 1 10 13 10 o 141.072 2.0903  109.033      4.39471  108.014      4.68102  144.329     175.323     34.5249     175.323     
1 1 1 10 13 11 o 181.767 2.03121 182.822      5.89852  177.511      5.46955  163.458     302.709     7.85347     122.709     
1 1 1 10 13 12 o 209.212 1.94813 240.127      6.28289  237.166      6.26935  194.91      164.407     2.66613     164.406     
1 1 1 10 13 13 o 44.1789 3.01565 12.067       2.01269  9.53373      2.01394  7.81411     316.962     84.9797     316.962     
1 1 1 10 13 14 o 39.9376 3.44047 7.48396      2.09051  10.3395      1.9778   9.92519     11.5334     80.9882     11.5334     
1 1 1 10 13 15 o 266.821 1.91932 381.804      7.88656  394.63       7.8838   273.189     239.352     50.8786     239.352     
1 1 1 10 13 16 o 181.425 1.98148 182.069      5.53446  176.938      5.53613  144.562     42.4316     45.6109     222.432     
1 1 1 10 13 17 o 107.524 2.23137 61.6544      3.82263  64.633       3.54497  108.808     96.8316     27.4167     96.8316     
1 1 1 10 13 18 o 70.7912 2.46308 27.4697      2.67194  27.3829      2.68158  32.8568     63.956      56.6001     243.956     
1 1 1 10 13 19 o 54.0267 2.78592 15.6493      2.29883  16.4286      2.30381  34.5996     336.776     12.0709     336.776     
1 1 1 10 13 20 o 66.4062 2.75455 26.7686      2.61955  21.7348      2.92281  47.571      302.802     16.4197     122.802     
1 1 1 10 13 21 o 168.922 2.28943 155.21       5.66532  156.424      6.23371  203.677     100.465     99.4187     100.465     
1 1 1 10 13 22 o 100.482 2.42899 55.5863      3.73567  54.8953      3.76964  93.8645     183.559     7.52762     183.559     
1 1 1 10 13 23 o 30.5562 4.44579 3.71233      2.02387  7.13029      2.03393  13.372      336.062     74.3669     336.062     
1 1 1 10 13 24 o 51.2365 2.88283 15.5132      2.27581  13.4753      2.22956  41.3008     40.0628     1.05396     40.0626     
1 1 1 10 13 25 o 75.8174 2.57993 32.4247      3.01169  30.6989      2.9935   63.8579     247.117     5.14411     67.1166     
1 1 1 10 13 26 o 46.0934 3.44284 13.0484      2.40526  10.6778      2.3874   23.0051     132.592     28.7303     312.592     
1 1 1 10 13 27 o 62.9496 2.80608 21.8889      2.79385  21.8236      2.6157   33.1631     219.048     43.9108     39.0478     
1 1 1 10 13 28 o 44.4102 3.80039 7.80505      2.54524  14.9318      2.13049  37.4382     107.416     20.2351     107.416     
1 1 1 10 13 29 o 76.5066 2.70794 32.984       3.34551  31.6233      3.0116   73.1079     11.824      10.842      11.824      
1 1 1 10 13 30 o 100.764 2.6124  63.6427      4.05025  48.8601      3.99527  74.786      205.448     32.8303     25.4479     
1 1 1 10 13 31 o 37.7171 3.75163 8.91385      2.06405  7.3318       2.14376  30.6548     101.703     0.76021     281.703     
1 1 1 10 13 32 f 160.145 2.10197 141.188      4.98712  140.895      5.37222  117.377     241.521     0           0           
1 1 1 10 13 33 o 33.6714 4.31491 4.98997      2.1982   8.44336      2.03332  25.1234     115.691     5.2125      295.691     
1 1 1 10 13 34 o 55.8573 3.10251 17.8747      2.71322  17.2142      2.58122  52.0936     46.9917     5.95455     46.9918     
1 1 1 10 13 35 f 57.7466 2.84521 20.2053      2.6165   17.2473      2.41199  40.6531     300.196     0           0           
1 1 1 10 13 36 o 40.841  3.7507  8.52736      2.25671  10.8144      2.32631  32.5045     312.16      5.13052     132.16      
1 1 1 10 13 37 o 28.0971 4.35176 4.04796      1.81671  5.47194      1.85365  12.776      260.486     21.4681     80.4863     
1 1 1 10 13 38 o 18.2465 4.8016  1.9455       1.79467  1.35748      1.82876  10.3243     20.711      0.848184    20.711      
1 1 1 10 13 39 o 39.7195 3.77727 7.49656      2.2047   11.2169      2.20752  31.7395     233.316     5.49296     53.3159     
1 1 1 10 13 40 o 63.0657 2.67479 18.6486      2.52     26.7046      2.59546  60.4993     340.306     9.6785      340.306     
1 1 1 10 13 41 o 44.1408 3.3438  11.3483      2.2526   11.3838      2.2221   48.3226     85.7281     21.7584     85.7281     
1 1 1 10 13 42 o 37.3936 4.09378 9.63002      2.20665  7.38415      2.30337  27.2098     236.936     9.19844     56.9363     
1 1 1 10 13 43 o 18.411  5.12034 1.24519      2.21767  2.09284      2.07603  3.29088     67.7615     20.9041     247.762     
1 1 1 10 13 44 o 67.8275 2.96443 26.8841      2.93727  26.6962      3.21527  63.9458     195.247     8.91369     195.247     
1 1 1 10 13 45 o 19.9442 4.85269 0.911227     1.92896  3.96177      1.97695  14.5344     66.4433     1.76701     66.4433     
1 1 1 10 13 46 o 38.3689 5.08255 9.57748      3.04439  10.586       2.71537  28.4589     196.911     8.94665     16.9106     
1 1 1 10 13 47 o 17.1331 4.96447 2.62299      2.12126  -0.438561    2.38828  9.46665     69.387      4.12986     249.387     
1 1 1 10 13 48 o 14.6432 4.61657 1.13944      2.17103  -1.03562     2.15218  5.95019     144.605     3.57647     324.605     
1 1 1 10 13 49 o 18.4643 4.99923 3.0993       2.01495  1.43711      2.07273  14.5109     241.611     3.8892      241.611     
1 1 1 10 13 50 o 12.8111 4.20425 -1.72017     2.09335  0.16054      1.96297  4.66354     227.323     0.453754    47.3234     
1 1 1 10 13 51 o 13.1487 4.2998  -2.47185     2.14567  0.856991     2.12539  4.51051     241.601     1.13879     61.6011     
1 1 1 10 13 52 o 15.5977 4.81291 0.321359     2.3113   1.83241      2.14022  6.2199      30.4993     2.01016     30.4993     
1 1 1 10 13 53 o 14.9395 4.71282 0.692179     2.10818  1.00374      2.29403  5.75398     333.065     2.1136      153.065     
1 1 1 10 13 54 o 15.8266 4.87644 1.85965      2.2898   0.911431     2.1835   2.74676     210.074     1.42908     30.0738     
1 1 1 10 13 55 o 22.5731 5.48128 3.00512      2.33532  6.68855      2.53114  17.9491     290.36      8.01032     290.36      
1 1 1 10 13 56 o 26.3534 5.59781 7.93012      2.57255  5.43007      2.42104  20.62       200.844     0.617659    20.8438     
1 1 1 10 14 0  o 193.544 2.11409 204.253      6.29738  204.253      6.29738  219.916     180         77.437      180         
1 1 1 10 14 1  o 139.184 2.03049 107.144      4.35904  104.121      4.34431  112.644     111.802     26.5921     291.802     
1 1 1 10 14 2  o 43.0161 3.09034 10.01        2.02621  10.4168      2.00994  9.75866     80.8738     80.0576     80.8738     
1 1 1 10 14 3  o 189.566 2.10992 185.993      6.14099  206.196      6.16617  185.878     157.093     24.1893     157.093     
1 1 1 10 14 4  o 208.767 2.09118 240.958      6.73432  234.399      6.71035  206.507     252.04      28.7758     252.04      
1 1 1 10 14 5  o 116.237 2.17679 75.1793      4.03233  72.3153      3.75266  54.8796     230.206     100.452     50.2055     
1 1 1 10 14 6  o 162.529 2.06606 147.233      5.3696   140.898      4.97133  109.693     195.507     78.8746     15.5069     
1 1 1 10 14 7  o 16.3452 4.53692 -1.65929     1.97048  1.95601      1.79757  50.5568     102.433     113.999     102.433     
1 1 1 10 14 8  o 115.692 2.18311 76.7422      3.75064  69.4199      3.99927  114.696     286.372     24.2648     286.372     
1 1 1 10 14 9  o 127.885 2.13172 88.3571      4.33779  90.0463      4.05016  132.433     79.5794     35.6687     79.5794     
1 1 1 10 14 10 f 69.227  2.40322 27.5209      2.5657   24.94        2.53885  81.2643     277.013     0           0           
1 1 1 10 14 11 o 72.2218 2.41466 27.8463      2.68393  29.2192      2.67015  61.0525     268.009     3.12277     268.009     
1 1 1 10 14 12 o 204.977 1.95718 230.38       6.18139  227.841      6.17388  206.338     318.411     35.4916     318.411     
1 1 1 10 14 13 o 188.029 1.96382 192.861      5.69568  192.732      5.67658  180.216     283.358     15.2732     283.358     
1 1 1 10 14 14 o 206.188 1.92837 229.383      6.11869  234.298      6.12629  181.783     242.503     15.9936     62.5027     
1 1 1 10 14 15 o 99.5134 2.20304 53.6982      3.3717   54.478       3.37172  59.8486     72.6971     58.1379     252.697     
1 1 1 10 14 16 o 170.485 2.12996 156.652      5.50806  160.538      5.67558  167.537     315.436     24.1509     315.436     
1 1 1 10 14 17 o 70.1533 2.8326  27.2306      2.80674  26.752       3.26498  39.5707     164.924     41.0666     344.924     
1 1 1 10 14 18 o 38.8589 3.46473 7.98325      2.00885  8.83255      2.04249  11.8121     252.846     5.04989     72.8456     
1 1 1 10 14 19 o 152.66  2.02817 125.219      4.76662  129.173      4.76815  129.728     246.157     19.2116     66.1565     
1 1 1 10 14 20 o 47.526  3.39463 12.2851      2.49535  12.7423      2.40138  26.9813     186.93      22.1739     6.93032     
1 1 1 10 14 21 o 109.815 2.34154 69.0512      3.9591   62.963       3.94526  108.592     279.568     19.7583     279.568     
1 1 1 10 14 22 o 76.1441 2.50969 34.3468      2.80245  29.335       3.02922  81.5835     5.114       33.1337     5.114       
1 1 1 10 14 23 o 69.4012 2.45518 26.8975      2.62234  25.965       2.6083   54.0091     289.591     12.2325     109.591     
1 1 1 10 14 24 o 30.5824 4.94214 6.96439      2.64865  4.04804      1.94139  2.96416     322.617     33.301      142.617     
1 1 1 10 14 25 o 75.8501 2.92426 29.7171      3.70752  33.7788      2.99804  62.9087     338.199     6.97763     158.199     
1 1 1 10 14 26 o 48.3892 3.04411 13.0654      2.24187  12.9252      2.2473   45.611      89.7451     22.5856     89.7451     
1 1 1 10 14 27 o 86.2317 2.24382 39.5301      2.96056  42.1531      2.98673  90.2717     211.236     28.0606     211.236     
1 1 1 10 14 28 o 61.0394 2.67617 20.1378      2.58805  21.0653      2.40911  53.3736     98.6382     0.617779    98.6382     
1 1 1 10 14 29 o 84.9436 2.53064 41.5065      3.44974  38.1835      3.15713  81.2621     213.407     10.6588     213.407     
1 1 1 10 14 30 o 23.1128 4.66802 2.98937      1.71657  3.26334      1.77216  0.471509    124.855     37.7114     124.855     
1 1 1 10 14 31 o 31.5479 4.42021 3.73277      2.0516   8.25912      2.09092  24.9774     305.303     0.274383    305.303     
1 1 1 10 14 32 o 40.5056 3.64082 8.3987       2.18284  10.3996      2.23783  33.2499     29.9664     2.30807     209.966     
1 1 1 10 14 33 o 55.4646 2.7352  19.8897      2.28973  14.6821      2.30525  44.8421     340.374     7.95426     160.374     
1 1 1 10 14 34 o 13.0251 4.09272 -0.33601     1.53957  -0.536927    1.74942  0.359839    326.686     4.32997     326.686     
1 1 1 10 14 35 o 16.51   4.70657 -0.077823    1.82295  1.64675      1.95214  3.4907      242.482     6.05108     62.4821     
1 1 1 10 14 36 o 29.3399 4.54148 4.75994      2.07542  5.65934      1.91694  24.0001     23.8933     0.588221    23.8934     
1 1 1 10 14 37 o 17.1473 4.54945 2.32014      1.66686  -0.113554    1.85519  4.91865     280.313     15.8723     100.313     
1 1 1 10 14 38 o 30.9103 4.7182  7.63527      2.34613  4.37066      2.04995  17.0655     86.6447     18.3579     266.645     
1 1 1 10 14 39 o 14.8302 4.53046 0.538176     2.02106  -0.186695    1.76199  2.89498     141.975     10.6356     321.975     
1 1 1 10 14 40 o 14.727  4.48408 -1.30735     1.94443  1.1335       1.91321  1.46358     42.1486     14.5094     222.149     
1 1 1 10 14 41 o 12.985  4.09947 0.368741     1.71379  -1.5253      1.72693  0.679868    146.916     6.20839     326.916     
1 1 1 10 14 42 o 13.4523 4.3848  -0.862643    2.02197  -1.17802     2.19516  1.20636     70.2245     3.34249     250.225     
1 1 1 10 14 43 o 28.1732 4.90636 5.05113      2.08372  5.50486      2.14618  16.6644     4.6367      12.9907     184.637     
1 1 1 10 14 44 o 14.6027 4.49875 0.610019     1.8342   -0.0470327   1.98512  5.18233     169         6.85871     349         
1 1 1 10 14 45 o 21.52   5.55191 3.71216      2.4179   2.79126      2.38714  18.7124     161.031     8.35702     161.031     
1 1 1 10 14 46 o 16.9175 5.10399 1.6317       2.35905  0.663405     2.35849  6.9776      11.625      2.0755      11.625      
1 1 1 10 14 47 o 16.0197 4.7841  -0.253939    1.98508  2.19524      2.18884  2.18266     193.248     0.584245    193.248     
1 1 1 10 14 48 f 12.873  4.23199 -0.95934     1.91338  -0.432655    2.12771  6.32507     173.612     0           0           
1 1 1 10 14 49 f 20.741  5.21981 3.42853      2.05583  3.21178      2.14609  16.295      192.428     0           0           
1 1 1 10 14 50 o 31.4482 4.96295 6.32198      2.3117   8.5228       2.39251  27.0532     17.0865     2.33593     17.0865     
1 1 1 10 14 51 o 17.4174 4.92029 3.30579      2.08937  0.66293      2.1319   11.3269     140.88      4.11078     140.88      
1 1 1 10 14 52 o 17.74   5.16172 2.60544      2.22783  2.10584      2.3291   5.67512     342.044     2.44659     342.044     
1 1 1 10 14 53 o 15.7522 4.85994 2.23667      2.32004  0.279329     2.18918  0.273795    36.1254     0.0989853   216.125     
1 1 1 10 14 54 o 23.2174 4.97452 7.66244      2.32981  1.20688      2.51549  18.329      292.869     3.8483      292.869     
1 1 1 10 14 55 o 32.3477 5.32153 7.54146      2.74519  10.8992      2.56124  32.8426     325.573     14.2694     325.573     
1 1 1 10 14 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 15 0  o 108.854 2.13939 64.719       3.57983  64.719       3.57983  86.7838     4.41405e-06 28.9176     180         
1 1 1 10 15 1  o 303.767 2.00752 510.281      9.70943  496.144      9.06825  289.795     300.837     17.7076     300.837     
1 1 1 10 15 2  o 186.636 1.98085 197.285      5.70259  182.737      5.67791  182.828     300.012     23.9152     300.012     
1 1 1 10 15 3  o 112.539 2.23939 69.578       3.88253  68.7182      3.87133  105.903     41.731      11.7686     41.731      
1 1 1 10 15 4  o 57.0216 2.82762 19.4393      2.47357  16.3215      2.44754  21.1109     170.776     51.0808     350.776     
1 1 1 10 15 5  o 94.8791 2.21207 52.8246      3.24347  45.6305      3.20129  51.7481     145.714     65.4609     325.714     
1 1 1 10 15 6  o 202.121 2.1258  228.936      6.63475  216.812      6.59546  210.181     233.046     50.1166     233.046     
1 1 1 10 15 7  o 150.588 2.36777 121.739      5.49368  125.77       5.48631  137.313     296.201     1.20764     296.201     
1 1 1 10 15 8  o 165.781 2.00417 143.996      5.10422  155.877      5.1231   170.754     127.313     40.2526     127.313     
1 1 1 10 15 9  o 79.4316 2.33326 39.8673      2.85144  29.5007      2.80172  45.2797     211.41      47.4163     31.41       
1 1 1 10 15 10 o 133.109 2.07374 94.3691      4.25618  98.9479      4.24296  130.814     110.252     22.6613     110.252     
1 1 1 10 15 11 o 170.993 2.16634 154.767      6.09381  164.351      5.25421  158.194     63.896      4.97707     63.8959     
1 1 1 10 15 12 o 167.243 2.09775 155.073      5.17415  150.136      5.6135   137.366     174.503     30.0019     354.503     
1 1 1 10 15 13 o 94.6424 2.52314 54.7292      3.28295  43.5634      3.91898  87.1951     357.405     10.3048     357.405     
1 1 1 10 15 14 o 67.552  2.46278 25.9826      2.54896  24.0114      2.55409  52.3815     279.989     6.26204     99.9892     
1 1 1 10 15 15 o 127.29  2.03446 88.0513      3.98709  88.7671      3.98842  124.867     275.716     21.35       275.716     
1 1 1 10 15 16 o 59.351  2.60449 19.2677      2.36529  19.3843      2.37194  53.9127     51.9596     18.2873     51.9596     
1 1 1 10 15 17 o 112.022 2.08537 68.9368      3.59341  68.1739      3.59482  107.722     359.674     14.9145     359.674     
1 1 1 10 15 18 o 51.0525 3.143   13.6033      2.28043  15.202       2.61351  46.1339     237.436     20.1195     237.436     
1 1 1 10 15 19 o 69.8415 2.65052 29.1606      2.83705  24.4847      2.82693  39.6819     61.1614     43.1466     241.161     
1 1 1 10 15 20 o 135.294 2.25665 99.5668      4.84117  100.584      4.55577  111.967     12.9403     21.069      192.94      
1 1 1 10 15 21 o 103.08  2.36301 60.3718      4.08139  56.0789      3.40015  96.2167     72.9041     8.90848     72.9041     
1 1 1 10 15 22 o 46.312  3.07652 12.6603      2.11108  11.145       2.20896  31.2957     278.677     8.18687     98.6773     
1 1 1 10 15 23 o 15.0388 4.27228 1.17873      1.56491  -0.186425    1.54016  17.2095     13.4203     45.0528     13.4203     
1 1 1 10 15 24 o 35.9852 3.77769 6.57906      2.02333  8.10571      2.01679  18.5454     133.719     14.5632     313.719     
1 1 1 10 15 25 o 92.5575 2.31148 47.9736      3.29905  46.1386      3.27904  79.3702     222.728     6.19537     42.7276     
1 1 1 10 15 26 o 71.3522 2.50108 31.907       2.73344  24.4628      2.71035  51.4359     136.93      23.2239     316.93      
1 1 1 10 15 27 o 35.825  3.51554 6.27372      1.87345  8.33949      1.86333  17.1149     189.846     24.7437     9.84632     
1 1 1 10 15 28 o 23.2417 4.87008 1.49687      2.20526  4.37607      1.83586  0.986142    34.5795     33.791      214.58      
1 1 1 10 15 29 o 65.2216 2.56717 20.9105      2.44374  26.4128      2.68855  58.45       78.8693     1.53087     78.8693     
1 1 1 10 15 30 o 85.9803 2.26236 39.9668      2.98601  41.6831      2.9934   71.0777     194.2       11.6315     14.1996     
1 1 1 10 15 31 o 47.9938 2.92059 11.5582      2.11486  14.3652      2.14063  43.032      53.6609     3.32747     53.6609     
1 1 1 10 15 32 o 14.6403 4.26157 -0.156698    1.5457   1.00961      1.60372  2.01931     54.0968     19.8256     54.0968     
1 1 1 10 15 33 o 32.942  4.38151 6.00153      2.1281   6.90573      2.15195  21.226      212.755     12.2242     32.7554     
1 1 1 10 15 34 f 30.0666 5.10771 4.64158      2.32336  6.51504      2.37604  21.658      332.026     0           0           
1 1 1 10 15 35 f 33.3806 4.35476 8.91023      2.01801  4.6664       2.20156  23.8767     327.419     0           0           
1 1 1 10 15 36 o 48.7302 3.53381 15.2737      2.69497  12.2734      2.52284  33.1801     116.811     19.2107     296.811     
1 1 1 10 15 37 o 60.4223 2.93142 20.743       2.88177  20.8165      2.52469  57.1375     257.537     8.30181     257.537     
1 1 1 10 15 38 o 33.831  4.14271 7.48234      2.12388  6.41018      2.03436  29.217      189.081     2.55293     189.081     
1 1 1 10 15 39 o 33.9446 4.6254  9.15381      2.20377  5.37304      2.40406  20.8359     270.776     15.3393     90.7757     
1 1 1 10 15 40 o 36.2281 4.06336 6.54697      2.07744  9.53282      2.28107  33.9143     282.907     8.2155      282.907     
1 1 1 10 15 41 o 43.5315 3.79383 11.5168      2.48256  11.361       2.49592  44.576      111.868     15.8187     111.868     
1 1 1 10 15 42 o 26.5931 5.27211 6.4001       2.31977  3.31727      2.37159  17.4623     36.7799     7.63347     216.78      
1 1 1 10 15 43 o 17.6258 5.07614 0.541734     2.31337  2.26903      2.14498  10.2838     306.985     1.77462     126.985     
1 1 1 10 15 44 o 15.3833 4.69814 1.25919      2.0964   -0.13713     2.01684  8.13334     87.7402     2.70679     267.74      
1 1 1 10 15 45 o 41.2036 4.20142 11.4261      2.5841   10.5411      2.58824  39.5224     54.6049     9.50132     54.6049     
1 1 1 10 15 46 o 17.7606 4.9747  0.9626       2.07972  2.72418      2.0716   8.92475     82.8354     3.1398      82.8354     
1 1 1 10 15 47 o 26.0434 5.22348 5.89029      2.18265  4.3966       2.26136  20.199      294.071     1.74543     114.071     
1 1 1 10 15 48 o 14.036  4.41461 -1.75192     2.02119  1.55671      2.04011  3.54932     282.694     1.03507     282.694     
1 1 1 10 15 49 o 16.2785 4.85213 1.72703      2.05968  1.28029      2.10427  8.39073     38.3769     2.79248     38.3769     
1 1 1 10 15 50 o 11.6645 3.95576 -1.8589      1.95021  -1.14965     2.12587  2.55682     259.944     2.62074     79.9436     
1 1 1 10 15 51 o 14.2139 4.57235 -0.43437     2.04738  1.1104       2.33548  4.94165     333.987     6.68487     153.987     
1 1 1 10 15 52 o 17.9987 5.23958 2.01418      2.21327  3.0437       2.4691   4.84035     178.126     0.563751    178.126     
1 1 1 10 15 53 o 12.8249 4.27199 0.342963     2.19043  -1.74722     2.23764  1.60324     67.8434     3.66342     247.843     
1 1 1 10 15 54 o 14.7412 4.61771 -1.95401     2.14588  3.26563      2.35478  4.49701     245.67      11.2189     65.6701     
1 1 1 10 15 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 16 0  o 12.1106 5.10806 0.850885     1.67999  0.850885     1.67999  22.7667     180         49.4276     180         
1 1 1 10 16 1  o 71.5155 2.45514 29.0873      2.7108   26.9025      2.67853  68.4251     148.38      28.8958     148.38      
1 1 1 10 16 2  o 87.9542 2.36068 45.2968      3.30822  39.3708      3.07506  80.3499     231.733     10.9087     231.733     
1 1 1 10 16 3  o 88.0672 2.40912 40.2142      3.24819  44.6397      3.26784  53.9051     21.4305     46.1754     201.43      
1 1 1 10 16 4  o 35.293  3.95724 5.61763      2.0573   8.51359      2.03578  0.54654     1.68996     36.397      181.69      
1 1 1 10 16 5  o 81.2487 2.34135 33.864       2.93066  38.3868      2.90519  70.0028     249.578     3.26304     249.578     
1 1 1 10 16 6  o 176.186 2.16487 170.084      5.87803  168.66       5.86881  217.221     75.381      117.891     75.381      
1 1 1 10 16 7  o 115.703 2.29541 74.2205      4.10341  72.0397      4.06775  118.842     66.8819     34.4377     66.8819     
1 1 1 10 16 8  o 94.1935 2.5516  46.6885      3.55211  50.408       3.83763  90.2786     105.641     18.9019     105.641     
1 1 1 10 16 9  o 94.2922 2.41295 43.5927      3.15995  53.9056      3.84529  58.1973     312.59      49.9272     132.59      
1 1 1 10 16 10 o 18.8632 4.50228 0.821523     1.61899  2.6159       1.61994  7.38187     40.0472     19.5959     40.0472     
1 1 1 10 16 11 o 243.701 2.00189 329.442      7.79864  318.677      7.2234   259.423     92.2224     74.0666     92.2224     
1 1 1 10 16 12 o 84.1743 2.33588 37.0034      2.94375  40.5424      3.10037  87.6236     315.745     32.7077     315.745     
1 1 1 10 16 13 o 47.934  2.86855 13.8672      2.09601  11.5084      2.08444  21.0192     215.098     34.4448     35.0984     
1 1 1 10 16 14 o 91.71   2.18947 47.1127      3.08142  44.8711      3.0921   79.9467     278.48      1.90926     98.4802     
1 1 1 10 16 15 f 55.1756 2.668   15.417       2.24488  18.1025      2.25005  57.0213     262.909     0           0           
1 1 1 10 16 16 o 75.1407 2.28984 31.7356      2.63506  30.108       2.64974  44.935      192.157     42.1876     12.1566     
1 1 1 10 16 17 o 57.6068 3.16881 20.9951      3.22632  15.8318      2.36449  29.9824     237.546     38.0069     57.5459     
1 1 1 10 16 18 f 110.279 2.25857 72.0103      3.99241  61.3361      3.6709   60.2601     143.083     0           0           
1 1 1 10 16 19 o 77.497  2.55166 30.3128      3.09273  35.7482      2.95045  62.9774     254.988     8.55625     74.9878     
1 1 1 10 16 20 o 15.7082 4.14916 -0.00428447  1.42132  1.75068      1.42801  21.7295     38.6671     56.614      38.6671     
1 1 1 10 16 21 o 61.8318 2.63521 19.87        2.49143  22.2831      2.49716  45.1794     222.316     14.9524     42.3157     
1 1 1 10 16 22 o 114.04  2.16946 70.7162      3.80968  71.8555      3.80266  94.5891     94.0392     14.9481     274.039     
1 1 1 10 16 23 o 58.7715 2.61926 20.9135      2.42588  17.3018      2.2857   40.9045     29.3297     19.3021     209.33      
1 1 1 10 16 24 o 29.9724 4.00937 4.55981      1.78436  5.81291      1.77417  7.40331     83.784      31.0123     263.784     
1 1 1 10 16 25 o 67.5501 2.50887 25.5818      2.60407  24.8119      2.59668  43.4143     5.79565     32.4278     185.796     
1 1 1 10 16 26 o 71.0191 2.42725 26.7427      2.71549  28.9847      2.56562  58.6135     64.2299     8.45625     244.23      
1 1 1 10 16 27 o 28.1243 4.5251  5.85652      1.93254  3.5459       1.93691  13.0144     245.405     18.7515     65.405      
1 1 1 10 16 28 o 15.0882 4.43512 0.194183     1.73546  0.617773     1.67263  0.275486    41.5673     5.38254     221.567     
1 1 1 10 16 29 o 31.9244 3.90039 5.61113      1.84891  6.23766      1.84433  21.0475     279.735     9.8288      99.7349     
1 1 1 10 16 30 o 37.0065 3.5143  7.64917      1.95415  8.05371      1.94846  26.5712     330.158     8.91456     150.158     
1 1 1 10 16 31 o 45.9869 3.05949 10.78        2.1133   13.1861      2.15323  40.0623     333.868     1.37549     333.868     
1 1 1 10 16 32 o 18.7006 4.46978 -0.297758    1.83526  3.29079      1.69965  5.40394     50.8554     13.7484     230.855     
1 1 1 10 16 33 o 54.219  2.89861 16.2074      2.46898  16.9615      2.32794  47.6366     40.5239     0.715518    40.5237     
1 1 1 10 16 34 o 74.6822 2.68364 34.1845      3.2375   28.5815      2.91658  71.4074     353.232     10.9732     353.232     
1 1 1 10 16 35 o 35.5282 4.44135 9.13373      2.28223  6.26811      2.35024  32.6946     337.551     5.83386     337.551     
1 1 1 10 16 36 o 22.6109 5.09065 3.54397      1.89868  2.75176      2.13861  14.5825     268.967     4.34355     88.9667     
1 1 1 10 16 37 o 15.1853 4.49129 -0.505511    1.7162   1.38976      1.89663  2.06812     71.5256     1.84762     251.526     
1 1 1 10 16 38 o 23.0893 5.14483 4.87535      2.17381  1.68524      2.20279  16.6105     99.5563     3.16039     99.5563     
1 1 1 10 16 39 o 23.1333 5.55902 2.51517      2.46338  4.31768      2.37884  16.4427     237.624     3.97056     237.624     
1 1 1 10 16 40 o 24.0516 5.3678  4.39168      2.15577  3.35374      2.34651  16.9485     82.6558     1.85153     262.656     
1 1 1 10 16 41 o 18.5791 4.94117 0.13118      2.02899  3.41692      2.12469  10.0037     10.0903     5.00026     190.09      
1 1 1 10 16 42 o 27.5517 5.43301 4.02641      2.32589  6.91775      2.55875  27.8386     217.276     14.5886     217.276     
1 1 1 10 16 43 f 15.5145 4.65846 1.84324      2.02436  -0.811886    2.05646  8.88608     229.92      0           0           
1 1 1 10 16 44 o 17.6312 5.13769 0.737604     2.2038   2.46891      2.36357  10.3285     310.071     0.523378    130.071     
1 1 1 10 16 45 o 14.6651 4.61821 -0.0440632   1.9887   0.618741     2.2173   4.95953     204.335     0.540761    24.3346     
1 1 1 10 16 46 o 17.5896 5.07552 1.98138      2.24716  1.86403      2.09658  11.3923     149.832     5.52119     149.832     
1 1 1 10 16 47 o 13.8917 4.49614 -0.456294    2.27557  0.153987     2.06814  6.37202     299.172     0.0599714   299.173     
1 1 1 10 16 48 o 14.0528 4.51263 -0.300636    2.18569  0.530461     2.08642  6.1075      248.594     1.36526     68.5937     
1 1 1 10 16 49 o 18.868  5.26526 3.01223      2.28246  2.6439       2.2321   7.85819     173.199     13.0865     353.199     
1 1 1 10 16 50 f 13.9877 4.51285 -0.715042    2.29601  0.886325     2.09963  5.39117     129.795     0           0           
1 1 1 10 16 51 o 16.2906 4.94681 1.9099       2.24019  1.35031      2.22772  5.33717     127.727     4.84278     307.727     
1 1 1 10 16 52 o 14.2372 4.5569  1.05317      2.13588  0.0802774    2.17933  1.43605     342.107     0.858162    162.107     
1 1 1 10 16 53 o 12.4784 4.16854 0.486123     2.11721  -1.67742     2.15931  1.56653     241.245     0.69232     61.2445     
1 1 1 10 16 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 17 0  o 40.133  3.87375 9.27784      2.26778  9.27784      2.26778  9.47253     360         46.7945     180         
1 1 1 10 17 1  o 53.7316 2.84426 16.7114      2.32901  15.0561      2.33773  10.2519     277.24      68.3282     97.2397     
1 1 1 10 17 2  o 33.1497 4.10039 7.3931       1.9564   5.11226      2.03595  3.4276      11.8291     12.1194     191.829     
1 1 1 10 17 3  o 178.856 2.30942 169.935      6.31067  179.452      6.40926  186.822     48.1764     50.9918     48.1764     
1 1 1 10 17 4  o 42.9321 3.70623 10.0753      2.20512  10.4384      2.58239  8.44484     58.4207     48.0423     238.421     
1 1 1 10 17 5  o 29.0292 4.7518  6.41197      2.11     3.31176      2.13195  0.171604    29.3599     12.6399     209.36      
1 1 1 10 17 6  o 160.787 2.19345 140.886      5.43504  141.382      5.42662  145.965     181.323     1.91592     181.323     
1 1 1 10 17 7  o 147.019 2.14791 116.891      4.68063  119.11       5.04114  151.701     60.3253     39.74       60.3253     
1 1 1 10 17 8  o 52.9983 2.76899 13.4247      2.22461  17.6117      2.22948  33.8849     223.999     16.8631     43.9987     
1 1 1 10 17 9  o 137.126 2.06666 100.904      4.3631   104.417      4.36379  116.129     165.559     14.3855     345.559     
1 1 1 10 17 10 o 83.7322 2.29984 36.4997      2.95417  40.2732      2.96005  94.0223     81.0124     45.7058     81.0124     
1 1 1 10 17 11 o 43.636  3.1479  11.1571      2.21337  9.95         1.95956  12.0326     48.09       46.8018     228.09      
1 1 1 10 17 12 o 122.214 2.0027  76.0447      3.75866  87.2699      3.76643  105.891     58.1352     7.00251     238.135     
1 1 1 10 17 13 o 51.4641 3.08417 16.9758      2.77112  12.4598      2.08541  35.6215     12.2237     11.4008     192.224     
1 1 1 10 17 14 o 193.389 2.37248 203.589      7.06521  205.596      7.06503  174.785     271.641     0.125265    91.6408     
1 1 1 10 17 15 o 21.7055 4.24054 1.77758      1.45929  3.58274      1.551    4.81129     130.715     22.787      130.715     
1 1 1 10 17 16 o 158.559 2.67967 133.991      6.49741  141.763      6.58641  143.737     279.072     2.50506     279.072     
1 1 1 10 17 17 o 88.0969 2.70504 51.5331      3.83591  34.6304      3.44327  80.6298     44.2374     7.77877     44.2374     
1 1 1 10 17 18 o 60.6707 2.59692 23.5397      2.71046  17.2462      2.1308   39.9292     212.504     23.1435     32.5038     
1 1 1 10 17 19 o 142.526 2.55478 108.192      5.35349  114.941      5.85563  145.169     50.8995     35.4518     50.8995     
1 1 1 10 17 20 f 40.4298 4.05808 8.72202      2.33886  9.83333      2.57417  38.7048     317.504     0           0           
1 1 1 10 17 21 o 70.8856 2.65976 38.5795      3.30111  18.6654      2.44451  51.6228     38.2661     20.6099     218.266     
1 1 1 10 17 22 o 17.8042 4.27484 1.65472      1.41192  1.67657      1.38541  6.15881     277.018     30.7837     277.018     
1 1 1 10 17 23 o 31.481  3.72866 4.97391      1.71071  6.41941      1.76551  17.465      22.0712     13.6554     202.071     
1 1 1 10 17 24 o 48.7789 2.9547  13.6544      2.29984  12.914       2.09567  36.1528     245.737     11.6789     65.7367     
1 1 1 10 17 25 o 17.0074 4.39658 1.74154      1.52549  0.963927     1.50386  1.85244     179.312     11.8344     359.312     
1 1 1 10 17 26 o 13.3022 4.03357 -0.321589    1.55851  0.273505     1.41939  3.78686     313.986     18.6636     313.986     
1 1 1 10 17 27 f 19.8653 4.71425 3.12229      1.78512  1.01826      1.78471  37.5012     157.645     0           0           
1 1 1 10 17 28 o 87.7405 2.34206 44.2668      3.09774  41.0585      3.21052  80.1605     288.603     5.1488      288.603     
1 1 1 10 17 29 o 14.4786 4.39035 0.286609     1.65469  -0.137889    1.86013  1.39983     127.994     17.0284     127.994     
1 1 1 10 17 30 o 49.2411 3.00084 11.9996      2.27462  15.4836      2.1835   32.6716     338.078     19.9063     158.078     
1 1 1 10 17 31 o 22.3453 4.80335 2.64162      1.86213  3.31609      1.75894  14.47       314.659     3.63056     314.659     
1 1 1 10 17 32 o 88.8259 2.27775 41.4909      3.09096  46.3406      3.12412  83.2908     251.524     9.8716      251.524     
1 1 1 10 17 33 o 31.2588 4.33379 9.26129      2.15161  3.134        1.91456  23.8611     161.887     4.39245     341.887     
1 1 1 10 17 34 o 38.6482 3.95059 6.31076      2.1746   11.8109      2.21305  25.0735     54.4325     15.8246     234.433     
1 1 1 10 17 35 o 39.2511 3.90335 10.1552      2.19641  8.25677      2.34222  29.1455     105.599     8.06023     285.599     
1 1 1 10 17 36 o 28.5692 4.98463 4.49481      2.25882  5.96785      2.13294  21.1697     241.934     2.72179     61.9345     
1 1 1 10 17 37 f 15.4386 4.67836 1.09503      2.06019  -0.551536    1.98462  15.7322     135.062     0           0           
1 1 1 10 17 38 o 79.1111 2.98935 34.4743      3.59244  37.8627      3.6609   81.9938     273.429     26.8866     273.429     
1 1 1 10 17 39 o 39.1182 4.83322 10.0168      2.63342  9.81219      2.96177  35.9702     144.992     7.08447     144.992     
1 1 1 10 17 40 o 17.9894 4.99733 2.70444      2.03297  0.334355     2.25196  2.8949      135.159     1.13607     135.159     
1 1 1 10 17 41 o 16.1933 4.92715 0.488509     2.2765   1.09872      2.18131  6.07893     257.951     1.71467     257.951     
1 1 1 10 17 42 o 17.3469 4.74804 3.55299      2.13949  -1.51956     2.0864   7.66631     307.392     3.20115     307.392     
1 1 1 10 17 43 o 13.8728 4.45224 -0.690692    2.18247  0.111679     1.97353  3.34162     231.849     1.97435     51.8489     
1 1 1 10 17 44 f 32.0735 5.46539 5.89809      2.54143  9.7074       2.86692  16.6989     144.088     0           0           
1 1 1 10 17 45 o 12.3166 4.10354 -0.718732    1.90085  -1.61766     2.15611  4.71801     103.632     5.15355     283.632     
1 1 1 10 17 46 o 13.9136 4.4576  -0.124465    2.01875  0.292134     2.09764  3.4037      68.1172     0.694579    68.1172     
1 1 1 10 17 47 o 11.5612 3.91752 -0.92245     1.97824  -2.43446     2.0508   1.57408     110.457     10.3082     290.457     
1 1 1 10 17 48 o 17.6047 5.11041 1.25275      2.23392  3.12471      2.29322  10.3083     18.1648     4.27621     18.1648     
1 1 1 10 17 49 o 21.7235 5.59547 4.50864      2.32659  3.92652      2.57831  16.6941     286.46      6.08492     286.46      
1 1 1 10 17 50 o 14.6605 4.70118 1.61336      2.4048   -0.721048    2.24877  2.3451      174.21      9.66955     354.21      
1 1 1 10 17 51 o 13.8926 4.51716 -1.31969     2.4047   1.30264      2.19625  2.76592     168.896     2.97581     348.896     
1 1 1 10 17 52 o 18.8261 5.33233 4.47214      2.44607  2.3957       2.34151  13.1618     174.872     2.20927     174.872     
1 1 1 10 17 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 18 0  o 235.56  2.14476 302.733      7.77691  302.733      7.77691  274.049     1.54757e-06 119.628     1.54757e-06 
1 1 1 10 18 1  o 83.291  2.66189 38.1391      3.77854  37.9278      2.9857   79.4689     213.592     15.1805     213.592     
1 1 1 10 18 2  o 60.8436 2.71311 21.4627      2.45159  19.2446      2.59022  34.7321     149.378     33.8669     329.378     
1 1 1 10 18 3  o 118.895 2.30733 84.9414      4.22624  69.991       4.19059  135.117     107.406     60.6207     107.406     
1 1 1 10 18 4  o 186.377 2.02899 194.677      5.83928  184.756      5.80499  195.235     23.8742     55.0857     23.8742     
1 1 1 10 18 5  o 151.071 2.22927 128.854      5.59015  120.64       4.77203  159.879     146.6       49.602      146.6       
1 1 1 10 18 6  o 34.9392 4.09527 8.10341      2.10938  5.79284      2.10766  7.17389     96.1276     35.8119     276.128     
1 1 1 10 18 7  o 71.9656 2.40668 25.0964      2.63617  31.8815      2.65539  76.3951     84.3616     34.3077     84.3616     
1 1 1 10 18 8  o 36.533  4.04202 7.76528      2.51282  7.29836      1.85165  16.466      171.472     12.8241     351.471     
1 1 1 10 18 9  o 19.1889 4.69135 3.20324      2.09184  0.490534     1.43143  8.13857     349.005     27.1369     349.005     
1 1 1 10 18 10 o 60.4035 2.43289 20.0329      2.25712  20.0343      2.25004  18.3014     358.383     67.0034     178.383     
1 1 1 10 18 11 o 96.3262 2.26881 47.5842      3.28357  54.1593      3.43522  99.1187     98.6895     31.0656     98.6895     
1 1 1 10 18 12 o 40.8112 3.19623 5.92557      1.74611  13.3669      2.03573  24.4741     209.286     3.20762     29.2863     
1 1 1 10 18 13 o 33.9186 4.84226 5.44473      2.45284  7.90447      2.42735  12.6527     129.901     9.3358      309.901     
1 1 1 10 18 14 o 52.6062 3.08937 17.0872      2.40477  13.6708      2.51345  48.9295     144.411     26.6998     144.411     
1 1 1 10 18 15 o 82.7274 3.15066 35.3212      3.98676  40.3911      3.99717  87.2134     335.396     32.8776     335.396     
1 1 1 10 18 16 o 151.367 2.53505 118.998      5.59837  132.751      6.22377  151.262     169.805     32.5212     169.805     
1 1 1 10 18 17 o 33.7987 4.70073 9.42718      2.35575  4.15836      2.35156  18.6421     160.469     0.678755    160.469     
1 1 1 10 18 18 o 56.3618 3.61095 19.6571      3.08201  15.9885      3.08729  52.8831     123.978     12.4452     123.978     
1 1 1 10 18 19 o 43.3615 4.19802 11.1246      2.7287   10.313       2.72667  26.964      313.79      17.3531     133.79      
1 1 1 10 18 20 o 96.7944 2.91917 49.5977      4.3229   54.2583      4.35375  80.4205     74.3917     10.494      254.392     
1 1 1 10 18 21 o 139.464 2.45618 104.945      5.2665   109.512      5.27721  138.41      17.073      28.2401     17.073      
1 1 1 10 18 22 o 55.2121 3.35009 14.838       2.77413  19.5662      2.82729  61.5272     243.12      29.642      243.12      
1 1 1 10 18 23 o 46.298  4.01437 13.9103      2.78437  10.7391      2.77336  43.1227     212.64      8.47882     212.64      
1 1 1 10 18 24 o 86.5757 2.97623 40.9042      3.96955  42.7496      3.93997  83.2823     15.7474     14.106      15.7474     
1 1 1 10 18 25 o 17.7175 4.22701 -0.54348     1.29563  3.48663      1.85309  0.424036    194.252     24.3473     194.252     
1 1 1 10 18 26 o 41.9581 3.55443 10.4129      2.16242  9.73343      2.32502  27.2525     336.688     16.7251     156.688     
1 1 1 10 18 27 o 24.6989 4.52516 3.42267      1.64497  3.92065      1.82613  16.7169     350.96      1.49513     350.96      
1 1 1 10 18 28 o 16.264  4.43489 1.19955      1.56392  1.02447      1.58024  2.82798     223.068     27.6639     223.068     
1 1 1 10 18 29 o 66.6568 2.46765 25.0914      2.52849  24.4659      2.51945  63.2784     22.8332     10.5238     22.8332     
1 1 1 10 18 30 o 44.1895 3.15044 12.2079      2.1124   10.1143      2.09978  55.4647     292.307     38.9423     292.307     
1 1 1 10 18 31 o 30.0632 4.54089 4.94995      1.93952  6.11071      2.14161  16.2868     274.12      17.7995     94.1198     
1 1 1 10 18 32 o 23.8597 4.95033 4.20404      1.93129  2.87495      1.99936  19.4144     185.948     5.24198     185.948     
1 1 1 10 18 33 o 29.2509 4.47866 5.33657      1.93747  5.24811      1.9801   12.2849     79.7534     23.7423     259.753     
1 1 1 10 18 34 o 34.0277 4.25652 7.53899      2.13663  6.62946      2.15531  27.5847     86.0056     0.399098    266.006     
1 1 1 10 18 35 f 20.1289 4.91551 3.34618      1.90199  1.28806      1.97016  22.4051     214.56      0           0           
1 1 1 10 18 36 o 24.3764 5.04572 4.60319      2.05387  3.12832      2.02718  15.608      335.343     5.18018     155.343     
1 1 1 10 18 37 o 39.6607 4.25129 11.5238      2.46884  8.13475      2.48553  33.8937     342.55      1.83822     342.55      
1 1 1 10 18 38 o 35.9158 4.74729 9.49141      2.58523  7.40118      2.46805  35.0492     358.143     11.8723     358.143     
1 1 1 10 18 39 o 18.9221 5.35125 2.75716      2.29361  1.03143      2.56907  12.0293     342.297     0.515085    162.297     
1 1 1 10 18 40 o 17.4233 5.23852 0.49049      2.18677  2.1558       2.72066  9.82059     313.821     4.53251     133.821     
1 1 1 10 18 41 o 20.3296 5.40756 3.10742      2.29816  2.56538      2.31208  14.3425     255.216     6.1795      255.216     
1 1 1 10 18 42 o 26.5182 5.40344 3.17197      2.65298  7.35261      2.436    25.1394     235.5       12.3477     235.5       
1 1 1 10 18 43 o 15.22   4.8277  1.22421      2.42072  -0.745728    2.33299  7.5229      249.658     3.7713      69.6576     
1 1 1 10 18 44 o 15.2857 4.69013 1.39998      2.04618  0.222317     2.09163  7.93835     295.25      5.264       115.25      
1 1 1 10 18 45 o 21.1944 4.97112 5.58813      2.17553  0.823957     2.24435  15.312      206.352     1.39385     26.352      
1 1 1 10 18 46 o 19.948  5.20982 1.66932      2.18626  4.49858      2.26659  14.0426     251.694     0.606793    71.6937     
1 1 1 10 18 47 o 15.1243 4.75557 1.13607      2.13474  0.58037      2.33646  2.59828     92.1056     0.784116    92.1056     
1 1 1 10 18 48 o 19.0617 5.4419  2.04414      2.18914  4.18348      2.74541  11.3548     221.348     0.820767    221.348     
1 1 1 10 18 49 o 18.9231 5.36677 3.59152      2.37677  2.3804       2.44416  8.42848     308.969     5.93038     128.969     
1 1 1 10 18 50 o 17.3553 4.93282 4.16457      2.21607  -0.0862537   2.31507  7.67919     19.9927     1.04536     19.9927     
1 1 1 10 18 51 o 15.1237 4.83048 1.93571      2.453    0.68796      2.35204  7.59062     240.338     0.378179    60.3381     
1 1 1 10 18 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 19 0  o 73.3683 2.38228 29.5703      2.67852  29.5703      2.67852  59.2043     1.45184e-05 13.917      180         
1 1 1 10 19 1  o 139.749 2.09437 103.57       4.4959   110.029      4.51571  128.203     238.892     8.49019     238.892     
1 1 1 10 19 2  o 82.4726 2.45023 36.5117      3.10978  38.1179      3.09847  80.3229     258.019     20.4179     258.019     
1 1 1 10 19 3  o 48.8668 3.16803 14.0093      2.26725  12.483       2.42662  25.7767     57.2632     26.2834     237.263     
1 1 1 10 19 4  o 85.0989 2.6253  34.0411      3.64568  45.9381      3.0352   85.6849     285.544     26.6056     285.544     
1 1 1 10 19 5  o 65.618  2.8114  24.3995      2.95405  23.0412      2.70054  46.3297     348.959     17.5121     168.959     
1 1 1 10 19 6  o 32.7861 4.20449 8.35012      2.07381  4.21381      1.96629  10.1825     342.85      9.60198     162.85      
1 1 1 10 19 7  o 59.2404 2.61379 18.0878      2.41615  20.5946      2.31226  51.4666     274.671     7.73308     274.671     
1 1 1 10 19 8  o 43.3135 2.84547 9.69372      1.87809  11.1162      1.86528  30.7507     87.1151     2.94976     87.1151     
1 1 1 10 19 9  o 90.7753 2.19933 46.8411      3.07396  43.5233      3.06279  76.6926     98.5179     4.50659     278.518     
1 1 1 10 19 10 o 62.0567 2.43155 21.126       2.44443  21.2341      2.17546  58.3825     164.295     15.3421     164.295     
1 1 1 10 19 11 o 36.3805 3.60234 10.7636      1.77508  4.74115      1.86548  16.8583     138.962     18.8992     318.962     
1 1 1 10 19 12 o 76.7663 3.05767 34.3965      3.41427  30.818       3.74845  74.9025     22.0352     18.7179     22.0352     
1 1 1 10 19 13 o 41.7458 4.56086 10.3123      2.83947  9.64276      2.83317  16.2411     123.6       35.1316     303.6       
1 1 1 10 19 14 o 51.0142 3.91404 13.6201      2.99245  15.7296      3.04781  52.7927     94.0707     30.1878     94.0707     
1 1 1 10 19 15 o 48.2793 3.59585 11.3011      2.59002  15.0096      2.63259  28.3528     239.817     24.0156     59.817      
1 1 1 10 19 16 o 40.2193 4.23412 7.76553      2.43092  10.8873      2.62559  35.0079     112.28      9.76386     112.28      
1 1 1 10 19 17 o 41.574  4.67489 11.4981      2.70483  8.60658      2.98661  32.6312     53.9293     1.80316     233.929     
1 1 1 10 19 18 o 87.004  2.9803  39.4619      3.97262  44.7305      3.97711  62.9573     281.276     27.3716     101.276     
1 1 1 10 19 19 o 50.1391 3.7256  15.4876      2.98771  13.0595      2.68155  38.3637     36.2711     8.97874     216.271     
1 1 1 10 19 20 o 48.3704 3.66014 15.8243      2.66202  10.9441      2.62475  37.0046     133.856     8.3711      313.856     
1 1 1 10 19 21 o 58.116  3.4291  16.8273      3.0722   21.4002      2.95119  39.3339     237.243     22.08       57.2433     
1 1 1 10 19 22 o 25.613  5.27023 2.28078      2.25888  5.50372      2.35775  10.8535     58.2192     16.959      238.219     
1 1 1 10 19 23 o 32.6947 5.1329  5.8806       2.46668  7.08352      2.57224  22.399      262.374     15.7228     262.374     
1 1 1 10 19 24 o 98.9267 2.66597 53.2958      4.04924  55.7867      4.05684  85.3959     192.408     2.97166     12.4077     
1 1 1 10 19 25 o 22.2487 5.58921 0.689794     2.57776  4.22746      2.56803  11.0923     60.9021     6.20655     240.902     
1 1 1 10 19 26 o 18.1537 5.15508 2.06045      2.10443  -0.408298    2.54515  5.26231     165.699     9.53833     345.699     
1 1 1 10 19 27 o 57.1395 3.39826 15.7712      2.90464  21.7156      2.96116  49.0287     127.922     0.427973    307.921     
1 1 1 10 19 28 o 47.489  4.56961 18.742       2.91005  8.9044       3.111    48.7545     290.53      17.203      290.53      
1 1 1 10 19 29 o 29.109  4.74586 1.87524      2.39317  8.67191      2.24129  28.1682     61.8761     10.9961     61.8761     
1 1 1 10 19 30 o 23.1233 4.68907 2.16816      1.71973  4.47116      1.90105  13.8806     291.291     7.67874     111.291     
1 1 1 10 19 31 o 17.3753 4.7701  1.5874       1.93966  1.23125      1.7125   5.68649     258.385     11.0223     78.3854     
1 1 1 10 19 32 o 19.3357 4.8578  3.15151      1.95135  0.977248     1.83194  4.08886     87.4163     20.2625     267.416     
1 1 1 10 19 33 o 42.9493 3.44371 11.4485      2.2128   10.2114      2.25071  40.7744     168.892     10.2412     168.892     
1 1 1 10 19 34 o 40.7417 3.91644 12.3225      2.33077  7.87574      2.33251  32.8089     141.971     2.09417     321.971     
1 1 1 10 19 35 o 28.7016 4.76972 7.32458      2.15232  3.51632      2.12405  26.2405     124.58      10.0007     124.58      
1 1 1 10 19 36 o 25.5599 5.39398 4.64654      2.31181  4.37495      2.25677  20.7234     316.367     4.21924     316.367     
1 1 1 10 19 37 o 29.4082 5.06025 6.8326       2.2701   4.99969      2.30565  23.0943     322.458     0.788969    142.458     
1 1 1 10 19 38 o 50.5916 3.50599 19.3679      2.70883  12.1902      2.5708   37.6227     246.083     10.7896     66.0831     
1 1 1 10 19 39 o 16.3885 5.03657 0.512916     2.18413  1.14744      2.53971  3.20763     44.2803     17.721      224.28      
1 1 1 10 19 40 o 27.4864 5.50119 5.30548      2.29657  5.97294      2.57005  20.9847     315.602     1.01006     135.601     
1 1 1 10 19 41 o 17.9227 5.12225 1.81059      2.24969  2.08843      2.13304  9.55431     274.301     5.70747     94.3011     
1 1 1 10 19 42 f 16.6272 5.18257 1.4476       2.55023  0.671127     2.64191  9.17583     4.99964     0           0           
1 1 1 10 19 43 o 21.9731 5.43528 4.08625      2.1967   3.63816      2.36077  15.1323     337.979     3.43989     157.979     
1 1 1 10 19 44 o 19.1171 5.31123 2.06233      2.29645  3.50264      2.33594  14.0577     119.784     3.66763     119.784     
1 1 1 10 19 45 o 17.3931 5.09092 0.985129     2.26194  3.00234      2.29846  6.50544     217.239     12.5403     37.2387     
1 1 1 10 19 46 o 12.6775 4.19352 -2.83032     2.09795  0.758043     2.13165  1.82291     304.827     0.731158    124.827     
1 1 1 10 19 47 o 14.417  4.62096 -0.187993    2.18053  1.05901      2.26859  2.86113     277.496     2.87543     97.4956     
1 1 1 10 19 48 o 23.3709 5.52147 5.65815      2.35796  4.1018       2.38891  16.4826     62.5095     6.61631     62.5095     
1 1 1 10 19 49 o 16.99   5.08114 3.81858      2.42855  0.562257     2.38718  7.73042     16.4366     5.99934     196.437     
1 1 1 10 19 50 f 13.3098 4.38324 0.156793     2.13616  0.128052     2.24155  7.47738     180.205     0           0           
1 1 1 10 20 0  o 65.5072 2.59022 23.6812      2.59403  23.6812      2.59403  54.5594     6.74015e-07 7.98733     180         
1 1 1 10 20 1  o 35.98   3.84951 7.92918      1.85028  6.75795      2.2196   19.312      133.59      3.43334     133.59      
1 1 1 10 20 2  o 79.8732 2.56328 35.2345      2.97551  34.97        3.3031   70.2495     91.4887     3.50306     91.4887     
1 1 1 10 20 3  o 85.2734 2.42392 39.3777      3.17137  40.5465      3.18105  58.9234     176.087     30.3386     356.087     
1 1 1 10 20 4  o 45.5285 3.07    12.6568      2.24777  10.4526      2.00622  34.1019     121.424     2.0346      301.424     
1 1 1 10 20 5  o 73.3424 2.54631 32.0856      2.85203  27.2459      2.86555  46.7424     70.7968     32.9982     250.797     
1 1 1 10 20 6  o 150.496 2.13575 121.634      4.75971  126.608      5.13813  145.555     171.917     25.1896     171.917     
1 1 1 10 20 7  o 49.8213 2.67583 12.7333      2.03796  14.7672      2.02665  36.2839     97.935      8.61246     277.935     
1 1 1 10 20 8  o 119.836 2.16866 77.6236      4.1254   79.929       3.86559  117.671     214.124     24.9095     214.124     
1 1 1 10 20 9  o 56.4496 2.70324 17.462       2.29728  17.7935      2.37456  55.1681     177.88      18.1506     177.88      
1 1 1 10 20 10 o 90.0001 3.0205  44.1768      4.6366   45.548       3.62749  90.1771     346.809     24.2661     346.809     
1 1 1 10 20 11 o 74.6523 3.96267 31.2422      5.17722  31.4184      3.71977  62.2758     46.1257     4.36721     226.126     
1 1 1 10 20 12 o 96.6399 3.08907 57.2149      4.86176  46.7385      4.31232  102.239     355.883     36.0987     355.883     
1 1 1 10 20 13 o 64.4979 3.24272 19.924       3.26713  26.7591      3.02854  42.4698     24.7133     26.6196     204.713     
1 1 1 10 20 14 o 32.2905 4.7156  6.70376      2.26786  5.57706      2.26691  24.7318     88.3256     13.2196     88.3256     
1 1 1 10 20 15 o 47.0867 3.98994 11.5735      2.82238  13.7722      2.8269   54.2328     253.524     34.3665     253.524     
1 1 1 10 20 16 o 29.2726 5.24509 5.23806      2.3923   5.0553       2.34151  15.2295     317.031     14.9324     137.031     
1 1 1 10 20 17 o 81.6295 3.16262 35.4581      4.287    39.11        3.54566  70.1389     303.79      2.11724     123.79      
1 1 1 10 20 18 f 89.872  2.83128 41.6518      4.01284  48.3913      3.76154  60.6856     196.838     0           0           
1 1 1 10 20 19 o 82.7273 2.80224 39.1974      3.56541  37.0977      3.55164  93.6447     309.41      44.15       309.41      
1 1 1 10 20 20 o 25.2996 5.31445 2.87809      2.33456  4.7446       2.21052  11.6427     41.925      14.1644     221.925     
1 1 1 10 20 21 o 37.8092 4.62618 5.38408      2.54805  12.1213      2.45316  39.5724     121.557     22.8989     121.557     
1 1 1 10 20 22 o 57.3568 3.63503 18.2064      3.1638   19.41        3.18713  52.8678     252.063     7.94307     252.063     
1 1 1 10 20 23 o 59.7831 3.41253 19.0462      3.21425  21.6578      2.97993  66.996      269.958     32.9284     269.958     
1 1 1 10 20 24 o 32.3995 5.42042 8.18222      2.86068  5.00037      2.51507  19.1724     247.404     14.325      67.4036     
1 1 1 10 20 25 o 38.3015 5.77862 9.02602      3.03571  9.45974      3.57057  32.8055     301.001     2.62426     301.001     
1 1 1 10 20 26 o 30.7918 5.23813 6.19357      2.50786  5.675        2.39997  14.875      22.3367     21.3259     202.337     
1 1 1 10 20 27 o 45.4277 4.10321 9.21055      2.69669  15.5863      2.72482  35.392      226.683     6.45689     46.6829     
1 1 1 10 20 28 o 28.2884 5.34242 4.20098      2.3287   6.09722      2.4569   17.7583     112.535     9.68588     292.535     
1 1 1 10 20 29 o 31.9223 5.09891 5.04967      2.43892  8.02881      2.49951  22.3785     221.354     6.7171      41.3543     
1 1 1 10 20 30 o 18.7407 5.22957 2.07448      2.23102  1.20155      2.24759  4.03505     257.616     18.4359     77.616      
1 1 1 10 20 31 o 55.2651 3.66994 21.0555      3.02785  15.1712      3.05515  50.9477     274.188     8.52157     274.188     
1 1 1 10 20 32 o 36.1183 5.29385 8.55036      3.00358  8.44091      2.689    31.0323     297.77      4.15003     297.77      
1 1 1 10 20 33 o 42.4551 4.04158 10.8149      2.39052  11.2233      2.74718  39.0438     204.642     8.0754      204.642     
1 1 1 10 20 34 o 39.0248 4.07764 8.26705      2.45518  10.6576      2.20439  25.4265     312.984     14.0573     132.984     
1 1 1 10 20 35 o 29.6725 5.46855 7.42773      2.70485  5.04232      2.37884  24.8262     24.3735     3.1506      24.3735     
1 1 1 10 20 36 o 36.5636 4.21678 9.40819      2.3036   7.75029      2.2674   27.0384     1.52693     6.5893      181.527     
1 1 1 10 20 37 o 22.5674 4.96868 5.71324      2.18872  1.03982      2.18976  12.3169     185.364     10.6393     5.36392     
1 1 1 10 20 38 o 19.4608 5.32713 1.41157      2.561    3.23554      2.18214  12.0242     112.285     2.46737     292.285     
1 1 1 10 20 39 o 20.8449 5.3797  4.45066      2.35705  1.65991      2.37333  15.0589     262.048     2.59828     262.048     
1 1 1 10 20 40 o 32.1673 5.05228 8.1783       2.35287  6.80741      2.53266  30.1642     95.4        8.85251     95.4        
1 1 1 10 20 41 o 14.4298 4.6818  0.906092     2.41099  -1.59355     2.41821  4.74286     239.751     1.40698     239.751     
1 1 1 10 20 42 f 13.2554 4.36193 0.500002     2.12274  -2.56949     2.39739  13.5143     215.348     0           0           
1 1 1 10 20 43 o 14.6593 4.65531 0.261769     2.21364  0.703409     2.16961  3.57728     234.593     0.656158    234.593     
1 1 1 10 20 44 o 16.1065 4.97698 0.485867     2.35723  2.14903      2.38109  8.75466     160.456     0.831919    160.456     
1 1 1 10 20 45 o 14.5576 4.64547 1.20571      2.14284  -0.344627    2.36467  4.73108     287.573     2.51971     107.573     
1 1 1 10 20 46 o 12.5245 4.24998 -1.91272     2.47378  -1.01254     2.28641  0.321126    221.737     5.96097     41.7368     
1 1 1 10 20 47 o 17.6938 5.22739 1.5609       2.47446  3.30132      2.3872   6.60454     66.992      9.3785      246.992     
1 1 1 10 20 48 o 13.3005 4.41213 -0.605269    2.25118  0.521063     2.32607  2.78528     82.3133     1.42755     262.313     
1 1 1 10 20 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 21 0  o 38.1029 3.24295 8.31162      1.82976  8.31162      1.82976  23.7025     180         19.7742     360         
1 1 1 10 21 1  o 41.571  3.10453 8.99652      1.95069  10.3763      1.95479  18.6089     85.5981     31.3248     265.598     
1 1 1 10 21 2  f 60.9675 2.67759 22.5444      2.50345  18.7026      2.48341  50.2934     254.132     0           0           
1 1 1 10 21 3  f 38.4011 3.1992  8.7291       1.89582  7.85718      1.81443  33.6587     221.203     0           0           
1 1 1 10 21 4  o 18.5051 4.40125 2.59846      1.63503  1.01534      1.40654  14.5293     50.5857     55.0466     50.5857     
1 1 1 10 21 5  o 17.2073 4.48733 1.21865      1.54484  1.50613      1.59461  0.152517    66.252      7.61418     66.252      
1 1 1 10 21 6  o 31.1454 3.90155 5.98112      1.6515   5.19672      1.92725  22.3638     358.355     1.869       358.355     
1 1 1 10 21 7  o 38.1569 3.20581 7.66923      1.68357  8.74387      2.01058  33.1231     200.358     6.95774     200.358     
1 1 1 10 21 8  o 63.6601 2.68372 21.3228      2.59431  23.6509      2.64006  55.8064     109.833     2.53609     109.833     
1 1 1 10 21 9  f 23.6173 5.35572 1.59736      2.30392  4.54618      2.33731  28.9371     76.569      0           0           
1 1 1 10 21 10 o 44.3648 4.29262 9.35087      2.80213  13.502       2.82073  46.6874     253.642     22.931      253.642     
1 1 1 10 21 11 o 52.3792 3.61775 12.571       2.6339   18.7925      3.11104  37.1132     124.77      14.8797     304.77      
1 1 1 10 21 12 o 76.026  3.16631 33.8557      3.68702  30.8487      3.68718  62.0671     234.619     7.55889     54.6194     
1 1 1 10 21 13 o 32.8573 5.04079 6.09798      2.50122  6.82552      2.45404  29.092      64.439      14.6802     64.439      
1 1 1 10 21 14 o 55.7052 3.66477 17.6829      3.18231  17.5554      3.03106  52.2606     12.5902     10.4044     12.5902     
1 1 1 10 21 15 o 81.9838 2.89576 39.6379      3.80756  35.4635      3.48322  70.6297     223.934     0.792428    43.9335     
1 1 1 10 21 16 o 55.3092 3.62    18.5563      3.28099  16.3063      2.81753  44.6692     183.536     4.66607     3.53557     
1 1 1 10 21 17 o 52.2753 3.84591 14.7823      3.24891  16.6077      2.78077  52.5332     88.951      17.8016     88.951      
1 1 1 10 21 18 o 48.2102 3.7804  13.2819      2.82845  13.4495      2.68634  33.6427     58.6025     14.1157     238.602     
1 1 1 10 21 19 o 85.9227 2.90584 45.4079      3.98156  37.558       3.68195  81.7066     191.529     14.9403     191.529     
1 1 1 10 21 20 o 51.6272 3.63564 12.6638      2.818    18.139       2.78892  47.0865     223.184     7.34269     223.184     
1 1 1 10 21 21 f 63.5928 3.99995 25.9644      3.73218  20.9727      3.94429  49.1476     240.937     0           0           
1 1 1 10 21 22 o 18.623  5.13292 2.72252      2.2717   -0.33344     2.24389  7.59994     333.566     8.45867     153.566     
1 1 1 10 21 23 o 26.1629 5.71908 4.63386      2.80188  3.98599      2.27593  22.888      246.548     12.0411     246.548     
1 1 1 10 21 24 o 80.8522 3.35281 34.4365      4.13935  40.5391      4.14959  71.213      122.36      2.89024     122.36      
1 1 1 10 21 25 o 24.1336 5.69459 3.51065      2.25043  3.77858      2.72268  11.0309     256.521     15.5081     76.5211     
1 1 1 10 21 26 o 43.3684 4.16631 12.273       2.66968  10.3042      2.72165  26.2039     248.056     20.5862     68.056      
1 1 1 10 21 27 o 16.7785 4.95627 0.210821     2.11535  1.33125      2.19197  4.87989     51.1753     3.27477     231.175     
1 1 1 10 21 28 o 72.7863 3.14619 25.4678      3.46376  35.9837      3.46277  74.9187     315.347     26.0949     315.347     
1 1 1 10 21 29 o 18.1725 5.175   1.65342      2.23887  1.19521      2.21468  6.91065     236.569     2.74797     56.5687     
1 1 1 10 21 30 o 22.7613 5.31176 1.14294      2.33582  5.1549       2.39453  5.34439     25.911      24.2257     205.911     
1 1 1 10 21 31 o 25.9426 5.35368 6.64126      2.46371  2.32684      2.46678  18.9177     40.1375     0.40988     220.138     
1 1 1 10 21 32 o 26.424  5.74489 4.95327      2.43316  4.92761      2.70476  20.2425     69.5803     1.3616      69.5803     
1 1 1 10 21 33 o 19.0074 5.45816 -2.32688     2.54944  4.62294      3.07     10.921      62.9123     1.81338     242.912     
1 1 1 10 21 34 o 32.4469 6.18121 9.91737      3.2572   6.23717      3.21287  24.283      295.931     3.67981     115.931     
1 1 1 10 21 35 f 19.1785 5.46906 2.38175      2.45927  2.03532      2.52201  14.8161     231.3       0           0           
1 1 1 10 21 36 o 21.2733 5.45186 -0.380263    2.61769  5.80914      2.73879  15.3764     327.032     1.60885     327.032     
1 1 1 10 21 37 o 23.3762 8.17726 2.1531       2.23249  105.048      37.2616  16.1057     13.9541     3.88758     13.9541     
1 1 1 10 21 38 o 37.4127 5.60749 9.30115      3.40499  11.809       2.85266  25.0383     267.081     11.266      87.0809     
1 1 1 10 21 39 o 17.7328 5.09704 2.51358      2.20282  1.4506       2.19315  4.4713      15.3874     18.3018     195.387     
1 1 1 10 21 40 o 21.0933 5.57636 3.49472      2.49533  3.73986      2.38787  5.48181     31.394      22.0749     211.394     
1 1 1 10 21 41 o 16.462  4.99706 1.79504      2.11438  1.07494      2.49192  7.7123      36.6226     6.91534     216.623     
1 1 1 10 21 42 o 25.109  5.42741 6.34372      2.34944  4.20356      2.3508   23.7206     133.558     12.1992     133.558     
1 1 1 10 21 43 o 18.0576 5.16983 1.63564      2.28637  3.2436       2.26463  9.24984     268.797     6.65561     88.7966     
1 1 1 10 21 44 o 13.8274 4.48309 0.816361     2.16901  -0.78575     2.21046  2.25996     336.617     3.65008     156.617     
1 1 1 10 21 45 o 14.4942 4.62312 1.30022      2.19712  -0.23406     2.22864  1.36901     93.0623     1.87994     273.062     
1 1 1 10 21 46 o 16.8877 5.16785 2.63601      2.41623  1.84152      2.55969  6.92585     9.70654     6.80599     189.707     
1 1 1 10 21 47 o 14.4362 4.71791 0.107298     2.37724  1.39147      2.54884  2.08233     271.567     0.397681    271.567     
1 1 1 10 21 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 22 0  o 98.0896 2.22114 52.8563      3.34717  52.8563      3.34717  103.518     180         34.9636     180         
1 1 1 10 22 1  o 75.1437 2.44146 28.9275      2.72991  33.6614      2.90334  47.883      311.375     34.0507     131.375     
1 1 1 10 22 2  o 137.889 2.32589 103.55       4.70132  106.225      5.16986  151.217     115.85      62.3992     115.85      
1 1 1 10 22 3  o 24.3855 4.16647 2.47033      1.61007  4.55355      1.5517   0.849625    118.194     36.1133     298.194     
1 1 1 10 22 4  o 79.0844 2.4953  31.8264      3.14306  37.5677      2.87211  74.6444     107.63      13.2752     107.63      
1 1 1 10 22 5  o 30.8005 4.01822 6.49442      1.83533  4.61876      1.82069  21.9838     234.186     2.52623     54.1863     
1 1 1 10 22 6  o 53.185  2.65229 16.4715      2.2367   15.0441      2.08077  38.185      194.686     13.6934     14.6861     
1 1 1 10 22 7  o 76.3341 2.44175 32.6723      2.8689   31.8859      2.8564   81.3349     292.759     32.2072     292.759     
1 1 1 10 22 8  f 21.6875 3.63484 4.45651      1.2647   0.997926     1.36503  29.6597     7.93574     0           0           
1 1 1 10 22 9  o 32.9036 5.19806 5.25437      2.59851  7.89957      2.56659  15.9226     237.837     20.8687     57.8369     
1 1 1 10 22 10 o 42.1025 3.9549  11.3933      2.5423   9.12034      2.44108  29.5158     114.836     10.4896     294.836     
1 1 1 10 22 11 o 23.4925 4.99814 5.48889      2.22659  0.198209     2.36204  12.2677     147.217     0.929593    147.217     
1 1 1 10 22 12 o 23.6109 5.91269 1.77741      2.37975  4.51083      3.07696  6.47962     9.98427     21.5528     189.984     
1 1 1 10 22 13 o 21.6625 5.63693 3.56935      2.31768  0.227475     3.09677  7.66165     119.813     13.2619     299.813     
1 1 1 10 22 14 o 38.1669 4.4445  8.62203      2.58896  8.5986       2.45174  39.2705     266.583     28.4028     266.583     
1 1 1 10 22 15 o 30.8045 4.95846 4.96772      2.29712  6.61095      2.31626  26.3428     192.545     8.68764     192.545     
1 1 1 10 22 16 o 90.5711 2.83955 47.7417      3.82861  44.2237      4.05441  97.3906     149.343     39.4219     149.343     
1 1 1 10 22 17 o 82.2409 3.09867 38.7523      3.57214  37.5756      4.20572  68.0061     332.975     5.33611     152.975     
1 1 1 10 22 18 o 73.6526 2.98042 31.3226      3.36404  29.8667      3.36665  69.2246     59.3171     12.4444     59.3171     
1 1 1 10 22 19 o 35.8783 4.66488 5.36067      2.43332  10.5374      2.46051  20.1397     201.006     19.1845     21.0059     
1 1 1 10 22 20 o 69.074  3.20062 26.2301      3.25114  28.1233      3.52088  66.8547     346.327     15.6517     346.327     
1 1 1 10 22 21 o 17.8331 4.98715 2.57497      2.17861  -0.76259     2.2069   4.04126     149.602     17.8279     329.602     
1 1 1 10 22 22 o 24.3396 5.65202 2.5813       2.7927   4.58978      2.3128   18.021      86.9839     1.37809     86.9839     
1 1 1 10 22 23 o 29.5907 5.97813 5.72813      2.87831  5.90307      2.84204  13.6612     138.869     20.0988     318.869     
1 1 1 10 22 24 o 34.999  5.72884 8.00684      3.01628  8.10749      3.03671  25.3568     219.744     5.4704      39.7444     
1 1 1 10 22 25 o 26.481  5.52106 6.02445      2.53375  3.186        2.42404  16.6254     159.255     10.3382     159.255     
1 1 1 10 22 26 o 38.1126 4.90403 6.76006      2.79721  11.7927      2.64084  36.5104     6.78562     12.7131     6.78562     
1 1 1 10 22 27 o 27.5859 5.63514 4.98913      2.61272  5.20443      2.44876  19.653      31.634      1.62393     211.634     
1 1 1 10 22 28 o 64.4645 3.35711 21.509       3.25658  27.4156      3.32601  62.6006     174.658     17.0156     174.658     
1 1 1 10 22 29 o 14.8181 4.69122 -0.592851    2.16064  0.12297      2.25242  2.69219     276.616     9.78947     96.6161     
1 1 1 10 22 30 o 38.3788 4.74346 8.82532      2.68485  10.345       2.7091   33.6826     265.075     5.35781     265.075     
1 1 1 10 22 31 o 19.1785 5.32113 2.99603      2.32062  1.10948      2.3894   9.30801     273.712     8.23742     93.7119     
1 1 1 10 22 32 o 28.7032 6.22924 6.49862      2.9757   6.31081      3.06044  25.9093     271.008     8.2208      271.008     
1 1 1 10 22 33 o 23.9951 5.80476 1.7715       2.43641  6.94995      3.0654   10.6631     230.637     16.2422     50.6368     
1 1 1 10 22 34 o 21.497  5.65768 4.22406      2.53909  2.35507      2.58071  10.6214     16.6067     10.7961     196.607     
1 1 1 10 22 35 o 20.5391 5.7994  2.44934      2.7671   3.55425      2.79793  13.5564     344.334     1.03972     344.334     
1 1 1 10 22 36 o 16.9944 5.19096 0.523166     2.5914   1.91274      2.44386  8.9016      244.892     4.37065     64.8925     
1 1 1 10 22 37 o 19.9218 5.53627 0.0532459    2.86934  4.91013      2.69243  16.1284     321.093     7.76358     321.093     
1 1 1 10 22 38 o 17.5682 5.29309 0.445074     2.73213  2.8343       2.49657  9.12429     36.8443     4.38854     36.8443     
1 1 1 10 22 39 o 16.019  5.23337 0.353152     3.37071  0.544476     2.7003   6.93852     83.0779     7.29665     263.078     
1 1 1 10 22 40 o 26.08   6.57337 4.41751      2.83252  9.7901       3.89454  21.3742     118.044     4.20743     118.044     
1 1 1 10 22 41 o 16.4497 4.62447 -1.45428     2.31576  3.3693       1.91943  8.61347     67.1524     4.3548      247.152     
1 1 1 10 22 42 o 16.8689 4.87034 3.52172      2.1636   -0.474323    2.29406  6.85599     144.434     6.97471     324.434     
1 1 1 10 22 43 o 20.4557 5.57992 4.83916      2.47918  2.44455      2.77058  10.4728     35.7544     2.57325     215.754     
1 1 1 10 22 44 o 24.0452 5.80794 6.10255      2.44209  5.06509      2.88562  17.616      82.9176     3.05279     82.9176     
1 1 1 10 22 45 o 18.3278 5.39866 1.98385      2.33079  4.61788      2.75673  10.9309     101.978     0.518969    281.978     
1 1 1 10 22 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 23 0  f 121.14  2.15751 80.6185      4.0189   80.6185      4.0189   76.9965     3.11427e-06 0           0           
1 1 1 10 23 1  o 122.674 2.15356 85.3668      4.06749  80.9179      4.06323  132.03      133.981     52.8851     133.981     
1 1 1 10 23 2  o 68.7084 2.68144 22.4437      2.83332  30.548       2.74885  53.7772     90.1227     9.40122     270.123     
1 1 1 10 23 3  o 29.5272 4.00196 6.80811      1.84586  3.64915      1.65738  13.3595     183.457     19.6616     3.45748     
1 1 1 10 23 4  f 43.6575 3.68436 11.1344      2.65309  10.7644      2.17965  26.0197     340.043     0           0           
1 1 1 10 23 5  o 14.3878 4.12347 0.347876     1.36706  0.827344     1.48275  0.0287728   155.906     6.52945     155.906     
1 1 1 10 23 6  o 44.5683 3.06108 13.8526      2.04891  8.87679      2.01307  44.3872     230.267     16.9183     230.267     
1 1 1 10 23 7  o 66.4678 3.14406 25.7651      2.78735  24.0788      3.52801  65.8345     357.789     19.5462     357.789     
1 1 1 10 23 8  o 48.8072 3.57917 11.2459      2.59716  16.2392      2.62221  39.7423     113.809     1.56329     293.809     
1 1 1 10 23 9  o 52.1091 4.00019 15.4021      2.76851  16.0327      3.50408  42.5926     119.765     1.78837     299.765     
1 1 1 10 23 10 o 23.6576 5.18826 1.92451      2.18428  4.63681      2.18811  13.4955     232.959     2.52962     232.959     
1 1 1 10 23 11 o 18.731  5.02015 2.64671      2.09315  0.258113     2.08012  5.23822     67.7647     2.03517     247.765     
1 1 1 10 23 12 o 81.2519 3.23948 38.1778      3.85208  36.5936      4.2023   89.3781     186.327     40.7932     186.327     
1 1 1 10 23 13 o 20.346  5.38274 2.52121      2.23336  1.60908      2.34881  10.1654     240.431     3.90983     60.4315     
1 1 1 10 23 14 o 67.8733 3.09782 25.9112      3.20142  26.2754      3.23954  58.9706     320.63      2.60752     320.63      
1 1 1 10 23 15 f 13.9738 4.2771  1.28979      1.9096   -3.3582      1.91954  3.25321     323.781     0           0           
1 1 1 10 23 16 o 15.5651 4.64395 1.33081      1.98854  -1.01993     1.98901  5.62001     90.1623     5.9625      270.162     
1 1 1 10 23 17 o 29.9917 5.10352 5.74335      2.30091  5.54368      2.35657  24.7196     158.021     2.44142     158.021     
1 1 1 10 23 18 o 44.3078 4.68406 10.9659      2.66217  12.9928      3.51899  37.0308     340.157     0.67854     340.157     
1 1 1 10 23 19 o 48.2353 4.37551 12.79        2.72648  15.2952      3.61038  49.3327     343.516     19.3568     343.516     
1 1 1 10 23 20 o 33.0692 5.5984  3.75516      2.54086  11.1941      3.37226  25.2094     293.89      1.67951     113.89      
1 1 1 10 23 21 o 14.8303 4.64604 0.0828757    2.13516  -0.513569    2.07851  1.99379     330.378     9.72158     150.378     
1 1 1 10 23 22 o 34.0752 5.44658 12.6828      3.44377  3.49901      2.48774  33.0299     236.921     15.1171     236.921     
1 1 1 10 23 23 o 21.7077 5.92984 2.33259      2.84541  2.95987      2.79353  7.18711     294.237     16.8758     114.237     
1 1 1 10 23 24 o 41.1822 4.68673 15.5152      2.74385  6.4271       2.69603  26.6136     129.365     14.1129     309.365     
1 1 1 10 23 25 o 20.6915 5.41031 2.87588      2.30464  2.24696      2.27179  10.0448     239.089     7.19504     59.0888     
1 1 1 10 23 26 o 15.7113 4.84636 -0.365003    2.23297  0.839499     2.22364  2.35005     204.662     14.2454     24.6621     
1 1 1 10 23 27 o 46.4596 4.20774 14.5544      2.95429  12.3997      2.91067  47.0027     265.222     18.5336     265.222     
1 1 1 10 23 28 o 30.5398 5.56707 6.09318      2.60178  7.09141      2.67593  17.8509     312.308     12.8385     132.308     
1 1 1 10 23 29 o 21.5108 5.39988 4.67866      2.39788  1.32907      2.41597  15.6842     266.181     2.22906     266.181     
1 1 1 10 23 30 o 36.5396 6.22323 6.69088      4.2894   14.0746      3.31344  31.1367     266.314     3.53416     266.314     
1 1 1 10 23 31 o 19.9957 5.80629 -1.39516     3.84291  4.12218      2.80139  8.846       306.22      11.5677     126.22      
1 1 1 10 23 32 o 17.0726 5.04543 -0.718084    2.37283  2.75698      2.35826  7.49485     175.029     0.817333    175.029     
1 1 1 10 23 33 o 31.6281 6.02408 8.72673      2.91094  7.14437      3.1561   21.1138     228.717     7.70602     48.717      
1 1 1 10 23 34 o 51.09   5.07306 19.7202      4.05661  17.4271      3.70863  54.5037     343.428     25.7811     343.428     
1 1 1 10 23 35 o 19.2588 5.47371 -0.412917    2.91236  4.54444      2.66718  14.9504     86.1624     4.96369     86.1624     
1 1 1 10 23 36 o 20.0457 5.54484 5.48764      2.77414  -0.704255    3.04933  10.3588     258.721     9.0631      78.7206     
1 1 1 10 23 37 o 14.7208 4.76048 2.17634      2.62347  -3.69117     2.58709  2.65794     174.627     0.486164    174.627     
1 1 1 10 23 38 o 16.4344 5.25003 0.470881     3.28015  1.49763      2.50223  7.93931     111.599     5.22221     291.599     
1 1 1 10 23 39 o 19.009  6.00428 3.65958      3.54757  2.27127      3.67504  12.2397     163.699     0.588089    163.699     
1 1 1 10 23 40 o 15.0116 4.94338 0.49528      2.52498  -0.161049    3.08498  4.01518     211.284     9.29664     31.2835     
1 1 1 10 23 41 o 15.0333 4.80765 -1.95679     2.45367  2.41363      2.55496  1.94721     254.934     2.35904     74.9335     
1 1 1 10 23 42 o 18.2662 5.44456 3.59244      2.60104  1.87077      2.73669  6.66445     60.2396     0.421692    60.2396     
1 1 1 10 23 43 o 14.6441 4.78908 0.00678781   2.54754  1.43797      2.56735  4.78354     225.865     3.37675     45.8647     
1 1 1 10 23 44 o 13.964  4.66187 -0.310681    2.64819  0.525412     2.61141  5.89142     318.752     0.799896    138.752     
1 1 1 10 24 0  o 84.8834 2.45915 39.8488      3.20209  39.8488      3.20209  90.346      180         34.8548     180         
1 1 1 10 24 1  o 46.8895 3.16661 10.6283      2.10648  14.5273      2.40374  39.653      357.983     1.88051     357.983     
1 1 1 10 24 2  o 100.058 2.6286  56.3993      4.04554  55.4896      4.04043  101.454     179.099     32.665      179.099     
1 1 1 10 24 3  o 16.2717 4.319   1.63292      1.49812  0.769775     1.46774  1.50047     84.3469     17.3722     264.347     
1 1 1 10 24 4  o 128.157 2.57078 88.7804      5.06729  94.61        5.06506  123.462     111.344     27.9797     111.344     
1 1 1 10 24 5  o 25.8319 4.52451 4.31218      1.68515  3.77974      1.90724  10.2437     70.5047     19.8155     250.505     
1 1 1 10 24 6  o 38.9663 3.47927 8.66313      1.94559  8.86133      2.13317  28.9694     217.637     5.83286     37.6371     
1 1 1 10 24 7  o 37.0048 4.48774 6.90838      2.32542  9.61229      2.5994   33.172      200.413     7.11426     200.413     
1 1 1 10 24 8  o 31.3628 5.38077 5.04481      2.4      7.38826      2.77122  24.6014     95.4513     0.051809    95.4514     
1 1 1 10 24 9  o 61.8027 3.46338 17.7345      3.20246  26.5005      3.22003  58.7182     314.016     13.5182     314.016     
1 1 1 10 24 10 o 16.6663 4.68981 -1.27384     2.01865  2.28964      1.97488  6.43893     114.788     8.40392     294.788     
1 1 1 10 24 11 o 52.8208 3.67721 12.1456      2.83479  20.7707      2.87478  51.0533     69.7438     14.0699     69.7438     
1 1 1 10 24 12 o 37.3935 4.638   8.84974      2.46842  8.20068      2.66576  37.5662     199.285     15.7782     199.285     
1 1 1 10 24 13 o 54.7811 3.50342 18.0832      2.93007  16.7158      2.91326  52.037      70.7096     12.8522     70.7096     
1 1 1 10 24 14 o 42.4858 4.13923 10.2651      2.63188  11.3239      2.63364  43.4        215.333     18.4267     215.333     
1 1 1 10 24 15 o 48.3369 4.12957 11.8149      3.05984  16.2035      2.81652  48.2686     0.443376    17.5771     0.443376    
1 1 1 10 24 16 o 83.1011 3.14945 41.4619      4.28428  37.8871      3.74542  80.7411     102.223     21.5841     102.223     
1 1 1 10 24 17 o 70.2479 3.15459 28.9082      3.39318  27.9295      3.39552  65.0005     7.9433      12.3904     7.9433      
1 1 1 10 24 18 o 25.6147 5.3857  2.84104      2.34956  5.66156      2.3855   18.9947     318.681     8.62953     318.681     
1 1 1 10 24 19 o 12.7214 4.21104 -0.866093    2.05062  -2.55737     2.12748  2.9348      61.5567     18.7979     61.5567     
1 1 1 10 24 20 o 19.7693 5.40674 1.2068       2.34662  2.80587      2.40593  8.81479     337.335     1.04028     157.335     
1 1 1 10 24 21 f 38.0819 5.19604 9.18445      3.17877  9.57546      2.67226  33.0925     260.56      0           0           
1 1 1 10 24 22 o 12.9882 4.4105  -1.7027      2.56023  -4.43441     2.63018  1.79426     252.226     16.8574     252.226     
1 1 1 10 24 23 o 40.4844 5.23757 10.9507      2.94674  10.687       3.32646  27.9443     283.843     9.62786     103.843     
1 1 1 10 24 24 o 43.2335 4.85501 15.4809      3.38361  9.20019      2.82915  42.2157     172.603     15.2264     172.603     
1 1 1 10 24 25 o 17.493  5.19785 0.180177     2.30802  2.14955      2.50617  8.07723     335.985     1.99218     155.985     
1 1 1 10 24 26 o 15.4327 5.00546 -1.41632     2.1182   0.911872     3.13054  5.78948     126.043     2.81759     306.043     
1 1 1 10 24 27 f 30.4223 6.1154  7.59779      2.60605  6.56752      3.61134  23.8163     65.6172     0           0           
1 1 1 10 24 28 o 16.9476 5.1351  2.21969      2.29798  -1.32573     2.91441  7.14779     240.102     1.91531     240.102     
1 1 1 10 24 29 o 28.7432 6.2905  6.33803      3.048    6.9537       3.09338  26.9499     114.502     12.9945     114.502     
1 1 1 10 24 30 o 18.6258 5.57136 3.32119      2.89235  0.0797521    2.81572  10.0572     245.371     0.595421    65.3712     
1 1 1 10 24 31 f 18.0882 5.25269 0.0958469    2.42571  3.33756      2.50499  15.1523     256.569     0           0           
1 1 1 10 24 32 o 16.715  5.31621 0.670143     3.11074  0.96715      2.63986  9.73374     284.258     0.778427    284.258     
1 1 1 10 24 33 o 17.7964 5.3741  0.929464     2.67262  2.65159      2.61833  11.9825     207.497     1.18249     207.497     
1 1 1 10 24 34 o 22.1606 5.99482 9.0086       3.70196  -2.57979     3.38682  17.8698     176.768     10.0118     176.768     
1 1 1 10 24 35 o 24.9789 6.06376 7.01356      2.82219  4.29873      3.10652  18.1706     68.6249     0.732397    248.625     
1 1 1 10 24 36 o 18.4664 5.56151 1.59314      2.812    3.38871      2.81386  11.5068     160.584     0.397241    340.584     
1 1 1 10 24 37 f 18.4668 5.36764 -0.415935    2.80089  4.69483      2.67574  10.4967     223.391     0           0           
1 1 1 10 24 38 o 16.177  5.36015 0.126369     3.45299  1.09554      3.28331  5.9827      346.974     5.61862     166.974     
1 1 1 10 24 39 o 14.0036 4.87033 -2.29116     3.79023  -3.2107      3.53258  0.849308    228.146     2.29713     48.1456     
1 1 1 10 24 40 o 15.9239 5.21347 0.67345      3.16881  1.17278      2.90545  3.31792     28.4267     11.3597     208.427     
1 1 1 10 24 41 o 18.6013 5.7603  4.78203      3.30913  2.47846      3.0047   7.67472     350.539     9.36613     170.539     
1 1 1 10 24 42 f 18.3115 5.43406 0.638674     2.68305  5.5344       2.8585   16.3731     103.184     0           0           
1 1 1 10 24 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 25 0  o 34.8048 4.44408 7.45324      2.15138  7.45324      2.15138  34.9251     1.53942e-05 10.7594     1.53942e-05 
1 1 1 10 25 1  o 37.4521 3.69336 8.99608      2.06961  7.52336      2.05908  30.6303     167.666     0.882248    167.666     
1 1 1 10 25 2  o 18.102  4.65695 1.41035      1.70426  2.05245      1.67745  7.94874     333.379     0.0552347   333.379     
1 1 1 10 25 3  o 43.4916 4.29316 7.98103      2.71651  15.1554      2.55034  42.539      203.56      14.8725     203.56      
1 1 1 10 25 4  o 34.5009 4.23545 7.52865      2.08457  6.84005      2.24032  27.6896     161.071     0.599189    161.07      
1 1 1 10 25 5  o 55.9114 2.87834 19.0481      2.27875  16.5466      2.59385  49.2305     10.5432     5.71963     10.5432     
1 1 1 10 25 6  o 49.4429 3.26716 17.7859      2.42258  10.8133      2.36631  42.0244     70.5611     2.64503     70.5611     
1 1 1 10 25 7  o 25.0351 5.54143 2.98661      2.24813  5.07415      2.5598   13.0101     338.001     11.4392     158.001     
1 1 1 10 25 8  o 19.3225 5.28085 1.57556      2.10592  2.16566      2.35727  9.10513     257.16      3.74217     77.1601     
1 1 1 10 25 9  o 25.4937 5.18467 5.13875      2.19084  3.16874      2.18447  19.0384     117.189     3.34925     117.189     
1 1 1 10 25 10 o 40.2743 4.30715 9.47601      2.62094  10.2229      2.54662  40.8659     241.086     18.8554     241.086     
1 1 1 10 25 11 o 43.3986 4.09811 11.168       2.66475  11.4853      2.67552  35.8407     355.924     1.54449     355.924     
1 1 1 10 25 12 o 51.7533 3.91372 11.6497      2.91669  20.781       2.98228  44.1349     183.438     3.48722     183.438     
1 1 1 10 25 13 o 21.4157 5.24445 3.85344      2.18362  1.53441      2.2115   12.0152     44.8194     0.889051    224.819     
1 1 1 10 25 14 o 49.9963 3.87292 13.5352      2.91428  16.2944      2.92523  42.8735     219.629     4.23236     219.629     
1 1 1 10 25 15 o 41.7133 4.44434 12.7155      2.73775  8.81107      2.71358  33.3878     118.569     0.0835437   298.568     
1 1 1 10 25 16 o 45.3036 4.0929  11.7334      2.76204  13.1273      2.81208  45.2361     45.0474     18.4659     45.0474     
1 1 1 10 25 17 o 26.4633 5.56223 3.52764      2.55509  5.84282      2.44962  17.6734     196.702     2.78821     16.7024     
1 1 1 10 25 18 o 46.9562 4.0874  12.9875      2.87456  13.9583      2.90913  40.5497     12.9007     5.11923     12.9007     
1 1 1 10 25 19 o 64.454  3.66332 26.0594      3.58965  23.7201      3.61148  72.5648     265.012     39.8432     265.012     
1 1 1 10 25 20 o 16.1829 4.92275 0.964488     2.17853  0.230306     2.27428  4.61305     47.0804     8.50542     227.08      
1 1 1 10 25 21 o 31.7778 6.36614 7.49301      3.21678  7.70231      3.29631  21.233      157.296     6.86699     337.296     
1 1 1 10 25 22 o 70.3676 3.60084 29.5184      3.56572  30.5346      4.16167  62.6025     346.034     8.83428     346.034     
1 1 1 10 25 23 o 57.0701 3.75901 22.7884      3.22489  17.4942      3.23982  56.6028     11.4257     19.7282     11.4257     
1 1 1 10 25 24 o 41.8355 4.80946 11.2831      3.08027  12.1203      2.88455  43.1745     352.406     19.5083     352.406     
1 1 1 10 25 25 o 28.7543 5.74812 6.48091      2.65226  5.88196      2.67073  18.9266     277.214     6.80292     97.2138     
1 1 1 10 25 26 o 27.2076 5.6311  3.92633      2.61813  7.23518      2.61858  20.9114     334.218     1.125       334.218     
1 1 1 10 25 27 o 19.7261 5.66152 3.20066      2.88131  1.97809      2.48758  7.9662      188.591     3.3201      188.591     
1 1 1 10 25 28 o 20.3415 5.65803 5.16248      2.88914  -0.23479     2.90624  11.4948     154.59      5.45924     154.59      
1 1 1 10 25 29 o 14.974  4.73413 1.987        2.38625  -3.16607     2.52727  1.88155     6.58731     0.425888    6.58731     
1 1 1 10 25 30 o 22.6388 5.74042 5.70072      2.59562  2.37342      2.90871  13.1692     104.38      7.9379      284.38      
1 1 1 10 25 31 o 49.8386 5.5166  23.9424      4.63539  14.5243      3.56764  53.0023     334.373     26.2024     334.373     
1 1 1 10 25 32 o 18.5411 5.29002 4.87904      2.67353  -1.87189     2.84968  11.9395     44.0231     0.0963206   224.022     
1 1 1 10 25 33 o 15.0918 4.88259 0.789661     2.52258  -0.210793    2.59486  5.14752     119.684     8.95439     299.684     
1 1 1 10 25 34 o 45.2199 5.28634 13.8495      3.38745  17.9071      3.70739  40.6932     288.062     9.40652     288.062     
1 1 1 10 25 35 o 16.0563 5.29135 1.3438       2.74653  -0.911081    3.96051  7.27319     60.8116     4.40393     240.812     
1 1 1 10 25 36 o 17.6414 5.6226  0.66982      2.7381   3.80133      3.63523  7.5895      40.9836     1.94913     220.984     
1 1 1 10 25 37 o 22.5977 6.69078 6.64259      3.87891  5.45629      3.98098  12.6866     185.726     0.864373    5.72638     
1 1 1 10 25 38 f 20.9845 5.94231 5.99669      2.92724  2.44998      3.41829  15.7581     289.495     0           0           
1 1 1 10 25 39 o 16.1538 5.20462 1.27245      2.76645  2.31239      2.94215  5.43425     72.1063     8.59675     252.106     
1 1 1 10 25 40 o 15.1157 4.97706 0.384495     2.65748  1.71698      2.9644   7.07242     128.477     1.03031     308.477     
1 1 1 10 25 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 26 0  o 12.3818 5.1565  1.12329      1.67294  1.12329      1.67294  1.44293     180         13.8659     180         
1 1 1 10 26 1  o 54.9852 3.24125 18.5389      2.58947  16.5263      2.81758  57.0768     34.5933     25.2646     34.5933     
1 1 1 10 26 2  o 16.7193 4.3653  -0.593206    1.77967  2.5612       1.60399  3.2747      83.6707     1.76839     263.671     
1 1 1 10 26 3  o 30.2999 4.49567 5.39949      2.10906  6.03826      1.95039  16.6572     346.267     13.5923     166.267     
1 1 1 10 26 4  o 32.7194 4.38481 6.28594      2.11385  6.9375       2.14229  20.0233     131.834     11.0583     311.833     
1 1 1 10 26 5  o 57.1467 13.886  133.956      29.7956  10.6515      2.12113  57.5895     189.373     27.5468     189.373     
1 1 1 10 26 6  o 40.0744 4.36344 11.1916      2.64289  8.55166      2.54292  33.667      112.414     4.09846     112.414     
1 1 1 10 26 7  o 42.7329 4.28395 13.1468      2.7863   9.25195      2.63949  37.6659     316.68      7.57242     316.68      
1 1 1 10 26 8  o 48.4665 4.62007 11.3917      3.43768  17.8125      2.90243  33.5878     17.6019     11.4416     197.602     
1 1 1 10 26 9  o 77.5571 3.06409 33.3327      3.64091  36.0109      3.64419  69.4231     56.5356     10.7541     56.5355     
1 1 1 10 26 10 o 26.9156 5.37311 5.90591      2.32895  3.67871      2.43672  5.51092     247.225     3.76913     247.225     
1 1 1 10 26 11 o 23.3366 5.18602 5.48074      2.27727  1.12792      2.39044  1.89378     161.942     1.05866     161.942     
1 1 1 10 26 12 o 44.5746 4.32349 11.7224      2.80801  12.8569      2.97164  37.8296     197.171     4.41384     197.171     
1 1 1 10 26 13 o 17.3265 5.10812 -0.0325062   2.10331  2.11968      2.48771  5.21606     278.089     2.07216     98.0893     
1 1 1 10 26 14 o 40.2599 4.86579 10.0455      2.71802  10.8989      3.09562  39.2699     192.604     16.0009     192.604     
1 1 1 10 26 15 o 35.9402 4.96742 7.20836      2.6393   9.85114      2.6521   33.4104     41.1593     11.8172     41.1593     
1 1 1 10 26 16 o 23.6548 5.59099 3.55236      2.39586  4.23666      2.40257  12.1167     157.576     10.2431     337.576     
1 1 1 10 26 17 o 15.983  5.06555 0.32905      2.87898  -0.113585    2.24373  4.55643     12.1168     9.64628     192.117     
1 1 1 10 26 18 o 52.2878 4.23543 16.352       3.34095  18.2656      3.34386  43.8336     44.5843     2.66901     44.5843     
1 1 1 10 26 19 o 24.8804 5.7984  6.73347      2.9161   2.46846      2.50653  5.46884     348.257     27.7563     168.257     
1 1 1 10 26 20 o 20.0518 5.33743 -1.27658     2.97641  4.59586      2.44093  8.89325     67.0051     11.5816     247.005     
1 1 1 10 26 21 o 17.3177 5.40603 -1.63947     2.86879  2.49907      3.01299  9.19609     54.2612     1.69392     234.261     
1 1 1 10 26 22 o 23.2501 5.47116 1.62604      2.46318  6.07261      2.56763  13.4518     25.9221     7.35554     205.922     
1 1 1 10 26 23 o 17.8143 5.16037 3.02783      2.36158  -0.187495    2.44143  7.92516     10.9526     6.96856     190.953     
1 1 1 10 26 24 o 13.9766 4.53998 0.530342     2.25184  -2.01102     2.33451  0.457153    257.885     0.279529    77.885      
1 1 1 10 26 25 o 68.9634 3.62306 32.1178      3.93045  27.6093      3.70581  72.1877     245.818     32.391      245.818     
1 1 1 10 26 26 o 17.8452 5.50713 2.43144      2.86674  0.598033     2.91969  6.62114     204.582     11.9828     24.5818     
1 1 1 10 26 27 o 18.3469 5.58262 0.370887     2.9233   3.33627      2.94555  12.803      33.0678     2.97159     33.0678     
1 1 1 10 26 28 o 35.5866 5.52464 10.0753      2.93548  9.48173      2.95425  34.1755     222.953     13.1615     222.953     
1 1 1 10 26 29 o 16.1038 5.06851 -0.548797    2.45508  2.25743      2.69588  4.08182     175.73      1.46022     175.73      
1 1 1 10 26 30 o 18.1853 5.37026 3.93867      2.65412  0.0897564    2.70195  10.4668     68.1599     2.50377     248.16      
1 1 1 10 26 31 o 17.3149 5.30726 1.23288      2.50703  2.55952      2.73047  6.08273     232.217     2.47272     232.217     
1 1 1 10 26 32 o 19.8455 5.70637 3.1973       2.61749  3.74402      2.84821  11.7782     351.959     3.47709     171.959     
1 1 1 10 26 33 f 26.844  5.52562 0.897094     3.59209  11.1261      3.04803  7.07936     39.1605     0           0           
1 1 1 10 26 34 o 17.6055 5.47351 0.882434     2.76118  3.38127      3.02362  5.34844     135.433     0.676494    315.433     
1 1 1 10 26 35 o 18.504  5.61108 2.44081      2.86867  3.28612      2.87022  6.77358     183.24      6.44635     3.2397      
1 1 1 10 26 36 o 16.0514 5.16047 -1.61032     3.37536  2.88328      2.71495  4.38208     126.878     8.95855     306.878     
1 1 1 10 26 37 o 21.9583 6.3151  5.3237       3.1245   6.95081      3.5677   11.4163     271.317     7.83447     91.3169     
1 1 1 10 26 38 o 19.965  5.85611 5.2985       3.06601  3.73139      2.85604  14.4006     127.551     3.79098     127.551     
1 1 1 10 26 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 27 0  o 17.3937 5.68268 2.62655      1.67642  2.62655      1.67642  5.70779     180         0.452188    4.96334e-05 
1 1 1 10 27 1  o 16.3148 4.49014 1.63561      1.65824  0.925213     1.60417  4.20278     13.6229     9.15433     193.623     
1 1 1 10 27 2  o 22.5883 4.96772 2.87004      1.89263  3.81254      1.95132  13.7735     267.689     2.19713     87.689      
1 1 1 10 27 3  o 27.0607 5.07005 5.7594       2.3424   4.06127      1.96605  22.3394     196.373     11.1421     196.373     
1 1 1 10 27 4  o 21.6007 5.20554 3.44679      2.1208   2.61687      2.04404  11.7036     67.0076     5.01611     247.008     
1 1 1 10 27 5  o 19.0868 5.45926 3.71058      2.87636  -0.55091     2.36809  6.40384     129.618     0.792991    129.618     
1 1 1 10 27 6  o 50.3614 3.89184 16.5523      2.96554  14.4145      2.95703  40.0872     109.657     0.923228    289.657     
1 1 1 10 27 7  o 37.1403 5.15064 7.92524      2.98886  10.4565      2.65475  30.6824     120.687     3.78078     120.687     
1 1 1 10 27 8  o 34.0701 5.53242 9.42243      3.10462  6.71752      2.59598  31.361      334.803     11.9795     334.803     
1 1 1 10 27 9  o 39.5352 4.88864 6.67725      2.78265  14.363       2.77094  28.7824     132.534     4.96567     312.534     
1 1 1 10 27 10 o 34.8018 5.06584 8.11981      2.61648  8.1343       2.63213  34.6604     244.772     17.5963     244.772     
1 1 1 10 27 11 o 27.9897 5.47166 4.22489      2.45052  6.90411      2.53252  24.451      238.094     9.49509     238.094     
1 1 1 10 27 12 o 24.2922 5.54381 3.11636      2.41327  5.26948      2.42939  11.2987     146.354     13.7666     326.354     
1 1 1 10 27 13 o 23.9383 5.64606 4.20948      2.42536  4.08325      2.45602  19.1497     157.566     6.71537     157.566     
1 1 1 10 27 14 o 26.2332 5.52483 6.44098      2.47561  3.56247      2.51372  23.7676     286.492     11.7962     286.492     
1 1 1 10 27 15 o 44.4307 4.47646 14.5144      2.94183  11.2819      2.95191  39.642      137.056     8.23286     137.056     
1 1 1 10 27 16 o 22.7406 5.3792  1.19342      2.46208  5.8386       2.49262  14.454      135.786     4.1048      315.786     
1 1 1 10 27 17 f 23.5573 5.79242 2.65244      2.47817  5.69212      2.80963  6.90377     213.646     0           0           
1 1 1 10 27 18 o 29.5948 6.07575 6.93047      2.8602   6.74676      3.00916  20.8316     39.2468     3.10562     219.247     
1 1 1 10 27 19 o 34.2556 6.15942 7.50612      3.45624  11.0156      3.21767  31.6815     86.1698     12.1247     86.1698     
1 1 1 10 27 20 o 18.2338 5.83056 -0.503253    3.01882  2.8538       3.91807  8.91917     30.8804     1.80965     210.88      
1 1 1 10 27 21 o 20.7685 6.18147 1.55323      2.65336  5.1895       4.00269  12.9822     206.804     0.930218    26.8044     
1 1 1 10 27 22 o 20.5728 5.66241 3.52256      2.55115  2.82965      2.62991  12.3989     10.3821     3.84626     190.382     
1 1 1 10 27 23 o 17.6062 5.2997  2.14636      2.49514  1.29668      2.56956  9.47432     269.676     4.88037     89.6758     
1 1 1 10 27 24 o 23.7288 5.98964 3.72429      3.04788  5.84925      2.71125  19.8544     225.032     6.48252     225.032     
1 1 1 10 27 25 o 29.0108 6.5138  7.54435      3.24693  7.97027      3.29232  23.6772     185.023     4.06924     185.023     
1 1 1 10 27 26 o 38.7601 5.22954 10.7312      2.9791   11.9401      3.03471  40.1416     234.421     20.8414     234.421     
1 1 1 10 27 27 o 26.5378 6.25024 6.28943      2.95493  6.80317      3.02803  18.4533     201.978     2.27709     21.9775     
1 1 1 10 27 28 o 15.749  5.02212 -0.812458    2.65231  2.06548      2.64199  4.7501      214.287     11.2072     34.2865     
1 1 1 10 27 29 o 43.9571 5.11517 15.0095      3.38847  14.5437      3.29577  39.7236     183.794     10.6729     183.794     
1 1 1 10 27 30 o 33.9696 5.81284 7.44161      3.09088  12.6795      3.12639  28.2249     155.155     5.2321      155.155     
1 1 1 10 27 31 o 14.2419 4.68579 -1.93522     2.55196  1.23578      2.55534  2.35245     65.8856     4.20385     245.886     
1 1 1 10 27 32 f 17.2843 5.36725 2.18354      2.62808  1.90157      2.8882   6.78963     349.862     0           0           
1 1 1 10 27 33 o 16.8995 5.36452 0.366827     2.82204  3.17797      3.047    5.1838      313.701     2.8433      133.701     
1 1 1 10 27 34 o 17.1443 5.37415 3.19496      2.78531  1.57863      2.93386  7.31364     233.509     2.74963     53.5094     
1 1 1 10 27 35 o 14.6496 4.95557 0.163929     3.45657  0.280176     2.89272  5.43767     222.673     3.75886     42.6733     
1 1 1 10 27 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 28 0  o 46.7483 3.37294 12.8471      2.36534  12.8471      2.36534  43.6909     1.23447e-05 10.758      1.23447e-05 
1 1 1 10 28 1  o 24.3786 4.80483 4.9627       1.92774  3.17658      1.88108  16.1091     27.1864     3.60175     207.186     
1 1 1 10 28 2  o 14.0393 4.2562  0.807708     1.66783  0.0173011    1.64542  4.19447     42.923      3.31077     222.923     
1 1 1 10 28 3  o 31.5037 4.80977 6.91054      2.55329  6.48038      1.97198  30.7094     272.908     14.8064     272.908     
1 1 1 10 28 4  o 41.7238 4.72505 11.7677      3.15403  11.3145      2.69207  31.9617     188.452     2.2485      8.45194     
1 1 1 10 28 5  o 26.1546 5.93882 4.51191      2.70242  5.87781      2.75696  19.7209     78.3276     1.26598     78.3276     
1 1 1 10 28 6  o 17.9818 5.29635 0.660814     2.48487  2.35565      2.45851  10.2594     332.526     1.43575     152.526     
1 1 1 10 28 7  o 27.2685 6.14259 4.37961      3.31835  7.06642      2.81291  23.1973     264.784     7.1369      264.784     
1 1 1 10 28 8  f 15.6934 4.81522 2.14571      2.11909  -6.31465     3.47112  9.11045     122.094     0           0           
1 1 1 10 28 9  o 43.4342 4.46204 12.7287      2.89542  11.9528      2.8954   44.2676     280.138     20.5978     280.138     
1 1 1 10 28 10 o 31.9201 5.29265 9.4937       2.6264   5.19884      2.62024  27.0094     67.1407     5.69905     67.1407     
1 1 1 10 28 11 o 33.1136 5.52719 9.12978      2.73386  6.86345      2.85496  27.1075     306.767     3.80476     306.767     
1 1 1 10 28 12 o 15.8566 5.05396 0.409405     2.25714  -0.0847254   2.98046  0.253892    354.922     22.282      354.922     
1 1 1 10 28 13 o 21.5965 5.60005 4.08856      2.46525  2.70264      2.46892  10.5309     269.678     9.34394     89.678      
1 1 1 10 28 14 o 49.86   5.01132 14.5852      3.89803  19.6234      3.23273  42.7945     219.805     6.76637     219.804     
1 1 1 10 28 15 o 19.7474 5.666   3.53327      2.92691  1.82314      2.45503  10.8678     30.3686     3.19856     210.369     
1 1 1 10 28 16 o 24.5251 5.94594 4.79459      2.73292  4.94509      2.68304  15.502      37.1698     4.39963     217.17      
1 1 1 10 28 17 o 26.3409 6.07631 5.33096      2.8018   6.21295      2.87266  23.062      178.846     9.96059     178.846     
1 1 1 10 28 18 o 24.7362 5.87424 4.42719      2.67525  5.69174      2.65298  18.2604     145.451     0.629858    145.451     
1 1 1 10 28 19 o 13.7418 4.75933 -1.7947      3.97629  -2.61759     2.28686  4.53365     56.8733     0.0989406   56.8731     
1 1 1 10 28 20 o 18.1761 5.29786 3.87094      2.45692  -1.81234     3.25415  10.7487     236.671     2.76645     56.6711     
1 1 1 10 28 21 o 26.4243 6.03842 5.8087       2.875    6.34818      2.74532  24.5737     279.492     13.4278     279.492     
1 1 1 10 28 22 o 16.4637 5.0795  -0.33193     2.42794  2.60154      2.56907  3.57795     91.3328     1.37258     91.3328     
1 1 1 10 28 23 o 15.6754 5.11256 0.0444515    2.8701   0.661456     2.8767   6.71181     68.3326     0.34955     248.333     
1 1 1 10 28 24 o 15.7193 5.17894 -0.460264    3.08966  0.798296     3.05351  3.41936     96.5265     0.726602    96.5265     
1 1 1 10 28 25 o 15.0274 4.876   0.709668     2.47801  0.00968303   2.67434  4.85185     216.15      0.0881294   216.15      
1 1 1 10 28 26 o 20.2714 5.81008 3.59476      2.68605  3.87253      2.96498  13.3115     142.965     0.642435    142.965     
1 1 1 10 28 27 o 14.9379 5.09143 -0.0664483   2.60944  -2.70759     4.72517  2.53312     242.546     0.872744    62.5462     
1 1 1 10 28 28 o 20.4715 5.91985 1.79256      2.85812  6.04621      3.26009  10.5834     327.989     2.37489     147.989     
1 1 1 10 28 29 o 26.481  6.44763 5.973        2.93666  8.60011      3.44726  18.1877     234.695     3.25608     234.695     
1 1 1 10 28 30 o 19.0568 5.46268 5.30306      2.74307  0.310925     2.77993  4.62469     310.438     0.931533    310.438     
1 1 1 10 28 31 o 17.3209 5.36901 1.47906      2.70218  3.49667      2.82922  6.73542     345.263     0.717418    165.263     
1 1 1 10 28 32 o 13.4103 4.5843  -0.362304    2.74816  -1.53894     3.05295  3.16362     289.938     2.98575     109.938     
1 1 1 10 28 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 28 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 29 0  f 9.77568 4.53484 0.0673837    1.70962  0.0673837    1.70962  7.39171     360         0           0           
1 1 1 10 29 1  o 45.9027 3.55206 12.1487      2.47544  14.0514      2.44462  45.6242     246.201     20.0751     246.201     
1 1 1 10 29 2  o 22.2683 4.87424 5.10884      2.01135  1.82157      1.97348  15.0416     181.595     0.923709    181.595     
1 1 1 10 29 3  o 40.0225 4.8524  9.45103      3.19062  12.4396      2.296    34.3198     218.81      7.1211      218.81      
1 1 1 10 29 4  o 14.512  4.73621 -0.102989    2.12211  -1.03649     2.86102  1.75138     122.471     13.3057     302.471     
1 1 1 10 29 5  o 24.147  5.82494 5.50342      2.75305  3.72617      2.47466  8.23413     43.218      19.1425     223.218     
1 1 1 10 29 6  o 19.5596 5.61081 2.63053      2.63844  2.51015      2.633    11.2103     55.518      1.05252     55.518      
1 1 1 10 29 7  o 21.7653 5.85349 4.42784      2.74407  2.82101      2.75314  14.9495     344.901     4.1975      344.901     
1 1 1 10 29 8  o 21.0199 5.61685 5.57993      2.82799  0.319273     2.70395  13.2137     313.95      5.94996     313.95      
1 1 1 10 29 9  o 24.2586 6.08877 5.17364      2.84767  4.59191      2.86802  18.5061     166.147     10.9949     166.147     
1 1 1 10 29 10 f 24.6841 5.62838 1.85622      2.57327  7.75427      2.87172  12.8419     225.473     0           0           
1 1 1 10 29 11 o 36.2604 5.29601 8.6227       2.85225  10.7844      2.86854  36.5861     59.9982     18.6464     59.9982     
1 1 1 10 29 12 o 13.6934 4.48895 -2.30265     2.34177  0.552477     2.29612  2.0377      25.2157     13.7279     205.216     
1 1 1 10 29 13 o 15.5172 4.95314 -0.00608511  2.66452  0.77095      2.39476  5.49097     317.011     9.82317     137.011     
1 1 1 10 29 14 o 42.7359 4.98283 10.6721      3.112    15.7101      3.10686  31.4376     67.5107     4.19898     247.511     
1 1 1 10 29 15 o 18.9783 5.4067  1.2055       2.49458  3.77439      2.53099  11.343      259.14      2.78507     79.1401     
1 1 1 10 29 16 o 29.5354 6.37163 7.42238      2.8326   8.29584      3.5307   17.1422     50.2402     10.4158     230.24      
1 1 1 10 29 17 o 36.1846 5.75388 13.0079      3.19857  8.29442      3.14197  37.3334     331.774     21.1416     331.774     
1 1 1 10 29 18 f 29.4634 6.80681 9.69247      4.49268  7.97701      2.90134  14.7807     47.6184     0           0           
1 1 1 10 29 19 o 17.5291 5.5922  0.505395     3.19732  2.5848       3.25317  7.43484     31.2857     7.89609     211.286     
1 1 1 10 29 20 o 18.7318 5.40653 0.411447     2.62688  4.43636      2.65909  11.2179     330.377     0.58373     150.377     
1 1 1 10 29 21 o 22.8897 6.12985 7.63494      3.25482  2.36856      3.20942  17.3657     152.273     5.21673     152.273     
1 1 1 10 29 22 o 13.9305 4.72685 -0.394462    2.96881  -2.18838     2.90125  3.93309     187.687     7.41623     7.68721     
1 1 1 10 29 23 o 13.6598 4.5839  -1.1986      2.63909  -0.446984    2.57169  2.77606     324.361     3.40299     144.361     
1 1 1 10 29 24 o 14.8765 4.83881 1.5253       2.55137  -1.30279     2.69409  3.05586     323.857     3.87524     143.857     
1 1 1 10 29 25 o 17.7397 5.33842 -0.73362     2.74755  4.42812      2.80812  3.45812     33.3887     0.637512    213.389     
1 1 1 10 29 26 o 13.7091 4.62478 0.423603     2.82262  -2.37491     2.61879  0.736008    194.304     4.82771     14.3043     
1 1 1 10 29 27 o 22.0791 5.71281 7.18184      2.82744  1.95397      2.87442  13.4034     163.564     1.43228     163.564     
1 1 1 10 29 28 o 26.6961 6.21642 8.58754      2.98893  6.69001      3.02742  16.2288     244.749     5.41966     64.7495     
1 1 1 10 29 29 o 12.7891 4.37272 -0.0243263   2.61863  -2.54959     2.67709  2.58891     319.887     3.34064     139.887     
1 1 1 10 29 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 29 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 30 0  f 36.8947 4.88065 9.05433      2.48871  9.05433      2.48871  36.9727     0           0           0           
1 1 1 10 30 1  o 16.9986 4.74344 0.587104     1.89638  2.81209      1.93307  4.60274     116.205     2.4139      116.205     
1 1 1 10 30 2  o 29.3524 4.98821 7.60273      2.23362  5.18394      2.28138  21.8439     53.7311     0.428907    233.731     
1 1 1 10 30 3  o 20.1147 6.46877 2.26766      2.81239  4.50348      6.347    13.5192     359.964     5.25474     359.964     
1 1 1 10 30 4  o 39.9446 5.67349 12.3679      3.06065  12.3841      3.65482  32.0183     91.594      2.52065     91.594      
1 1 1 10 30 5  o 36.851  5.59871 11.4612      3.24749  9.64415      2.92138  33.1295     172.478     10.3828     172.478     
1 1 1 10 30 6  o 37.0307 5.39794 9.04614      3.01281  11.8879      2.93936  29.3847     96.469      2.10159     96.469      
1 1 1 10 30 7  o 42.486  4.86311 13.8084      3.07534  12.1335      3.05831  33.0052     35.1018     0.167153    35.102      
1 1 1 10 30 8  o 48.9345 5.03711 19.0669      3.68402  15.9348      3.64776  48.5039     51.7215     21.3979     51.7215     
1 1 1 10 30 9  o 18.9028 5.60312 1.53363      2.78027  3.54323      2.80201  11.045      325.104     2.04949     145.104     
1 1 1 10 30 10 o 28.1923 6.13312 9.86189      3.19813  4.54844      3.10754  20.555      105.469     0.0390977   285.468     
1 1 1 10 30 11 o 17.3892 5.09185 -3.61705     2.71128  4.67263      2.69472  8.80718     7.34625     3.86556     187.346     
1 1 1 10 30 12 o 13.5731 4.55347 -1.87785     2.5687   -0.349421    2.57716  3.68049     126.178     6.54853     306.178     
1 1 1 10 30 13 o 25.66   6.16156 4.74359      2.79794  7.52765      3.09735  15.9634     23.2887     5.0647      203.289     
1 1 1 10 30 14 o 14.6867 4.77151 0.160883     2.43508  0.186671     2.49831  0.298199    198.05      18.9141     18.0498     
1 1 1 10 30 15 o 26.2589 6.1022  5.74993      2.84494  7.08163      2.89477  21.1695     77.3685     6.01659     77.3685     
1 1 1 10 30 16 o 15.4404 4.99207 1.33679      2.65202  -0.200407    2.70683  5.16988     14.5329     0.22308     14.5329     
1 1 1 10 30 17 o 20.34   5.72591 2.73486      2.69019  4.62931      2.7665   13.6422     70.407      3.03285     70.407      
1 1 1 10 30 18 f 27.0232 6.46456 7.21376      3.59423  7.6375       2.95474  18.7485     101.498     0           0           
1 1 1 10 30 19 o 15.9008 5.16977 1.73298      2.70276  -0.666569    3.32558  3.56055     301.972     1.28153     121.972     
1 1 1 10 30 20 o 19.1375 5.90595 4.80497      3.45732  1.44684      3.21648  7.53352     115.258     6.49877     295.258     
1 1 1 10 30 21 o 12.6044 4.3696  -2.29807     2.86465  -3.18032     2.90686  0.042677    231.818     1.52169     231.818     
1 1 1 10 30 22 o 21.6289 6.12501 4.18518      3.51829  5.3777       2.89419  10.3637     198.564     1.78979     198.564     
1 1 1 10 30 23 o 17.3651 5.4144  2.21631      2.74773  2.3744       2.90147  5.32561     4.47005     1.56847     184.47      
1 1 1 10 30 24 o 29.4971 6.12746 12.0783      3.27434  6.08902      3.14352  22.9475     108.447     4.88028     108.447     
1 1 1 10 30 25 o 17.0185 5.28746 4.09728      2.77532  0.425371     2.82644  7.81275     260.509     1.99667     80.5095     
1 1 1 10 30 26 o 16.0596 5.15866 1.35016      2.75151  2.32363      2.8141   6.1167      87.2566     1.44363     87.2566     
1 1 1 10 30 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 31 0  o 19.8373 6.44202 3.90706      2.15283  3.90706      2.15283  11.3249     180         6.71745     180         
1 1 1 10 31 1  o 12.4701 4.0453  -2.76563     1.89263  1.00574      1.87384  1.23534     305.604     11.2276     125.604     
1 1 1 10 31 2  o 14.3185 4.67193 -0.509213    2.18385  0.62372      2.58813  3.65096     75.0727     0.708035    255.073     
1 1 1 10 31 3  o 21.7545 5.83408 4.55001      2.68297  4.00615      2.70631  15.4707     281.029     3.92317     281.029     
1 1 1 10 31 4  o 22.5413 6.58996 4.50218      4.24093  6.27679      3.5058   15.6156     114.25      2.57463     114.25      
1 1 1 10 31 5  o 14.7298 4.74212 -1.63289     2.42801  1.76504      2.46937  5.40349     6.84353     2.68654     186.844     
1 1 1 10 31 6  o 14.0109 4.60358 -1.30312     2.42058  0.701207     2.4219   3.95959     104.435     7.08142     284.435     
1 1 1 10 31 7  o 18.5202 5.44722 3.77226      2.65315  1.4858       2.5917   10.3332     80.2291     2.98964     80.2291     
1 1 1 10 31 8  o 17.4103 5.08188 4.66032      2.62025  -2.15492     2.5276   8.57404     260.275     2.11604     260.275     
1 1 1 10 31 9  o 29.5158 5.94358 9.6541       2.94904  6.06087      2.91124  22.0221     274.869     1.34623     274.869     
1 1 1 10 31 10 o 22.0361 6.15073 3.1797       4.23022  5.87942      2.81115  11.8021     246.852     6.29988     66.8521     
1 1 1 10 31 11 o 16.4807 5.21767 3.34831      2.90437  -1.60166     2.87762  6.2621      229.564     1.2575      49.5639     
1 1 1 10 31 12 o 25.0468 6.32849 5.08847      3.19452  7.73943      3.15692  18.5286     49.8049     7.56847     49.8049     
1 1 1 10 31 13 o 19.3586 5.75284 1.43546      2.97714  4.89575      3.04953  9.08319     239.994     1.65743     59.9936     
1 1 1 10 31 14 o 16.2571 5.24401 1.51897      2.93422  0.745537     2.89021  3.7655      108.262     3.60461     288.262     
1 1 1 10 31 15 o 12.6398 4.34985 -3.10643     2.46069  -1.01623     2.86281  0.0488202   149.955     2.97448     149.955     
1 1 1 10 31 16 o 20.8174 5.91312 6.06147      3.00095  1.76889      3.334    8.52143     140.803     6.9025      320.803     
1 1 1 10 31 17 o 16.7981 5.35801 0.482436     3.36359  2.44489      2.72174  2.1045      272.259     0.990131    92.2593     
1 1 1 10 31 18 o 13.809  4.79469 -1.39504     2.95845  -3.61994     4.20714  0.820839    271.867     2.16295     91.8671     
1 1 1 10 31 19 o 16.167  5.29323 2.90256      3.16721  -0.381864    3.2047   3.52017     130.088     1.05892     310.088     
1 1 1 10 31 20 o 15.8998 5.05402 3.5496       2.72545  -1.06901     2.77295  5.62215     4.22489     3.63957     184.225     
1 1 1 10 31 21 f 17.0954 5.32389 4.09829      2.79467  0.611644     2.91059  7.70846     169.502     0           0           
1 1 1 10 31 22 o 14.8334 4.91461 0.270628     2.78356  1.19397      2.8595   6.23039     190.397     3.25347     10.3966     
1 1 1 10 31 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 32 0  o 11.1043 5.10244 0.629886     2.09138  0.629886     2.09138  1.4232      180         8.11871     180         
1 1 1 10 32 1  o 25.4902 5.41869 3.92997      2.61596  7.2016       2.35066  17.5354     230.427     6.17446     230.427     
1 1 1 10 32 2  o 20.5003 10.2802 -9.71904     1.34476  7.0629       9.91357  2.32079     44.0112     1.08947     224.011     
1 1 1 10 32 3  o 15.3111 4.95602 1.25967      2.66227  -0.0134591   2.61369  2.13087     162.136     5.6973      342.136     
1 1 1 10 32 4  o 12.4962 4.36658 -2.5679      3.03618  -4.65157     3.13151  0.240693    271.706     3.89336     271.706     
1 1 1 10 32 5  o 14.4213 4.72887 -2.23259     2.48901  1.73353      2.65353  0.847284    234.084     4.2         54.0839     
1 1 1 10 32 6  o 19.9365 5.66038 4.92996      2.72171  1.99858      2.84068  6.49724     122.321     0.389912    302.321     
1 1 1 10 32 7  o 17.2225 5.42375 3.0404       3.06855  0.908521     2.75548  4.13903     305.681     6.08122     125.681     
1 1 1 10 32 8  o 16.1807 5.01987 -2.28696     2.69159  3.63117      2.64299  2.4928      83.4819     2.61957     263.482     
1 1 1 10 32 9  o 18.0854 5.73666 2.78046      3.52985  2.47765      3.1022   5.54881     215.149     2.70713     35.1494     
1 1 1 10 32 10 o 15.3238 4.94773 2.13724      2.6792   -0.845183    2.63695  1.2318      109.786     1.23451     289.786     
1 1 1 10 32 11 f 18.4642 5.38015 -0.16512     2.7072   5.29054      2.76946  3.97458     41.5233     0           0           
1 1 1 10 32 12 o 24.9682 6.049   4.26845      3.36299  8.88511      2.96868  17.7609     215.971     5.89447     215.971     
1 1 1 10 32 13 o 13.8856 4.71137 -0.278652    2.89929  -0.740595    2.92396  0.39626     233.819     14.3793     53.8188     
1 1 1 10 32 14 o 17.4744 5.54661 1.09199      3.0722   4.43842      3.2377   7.40342     289.971     0.376087    109.971     
1 1 1 10 32 15 o 15.7298 5.19873 -1.50966     3.19292  3.46171      3.24595  5.61833     184.429     0.938245    4.42897     
1 1 1 10 32 16 o 12.3397 4.30792 -7.72894     3.52128  -0.384719    2.81243  2.41714     213.64      3.00206     33.6397     
1 1 1 10 32 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 32 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 33 0  o 21.8703 8.02644 6.62923      3.5006   6.62923      3.5006   12.5141     360         7.48207     360         
1 1 1 10 33 1  o 16.1894 5.26961 1.24348      3.25528  2.34888      2.87875  3.03199     113.779     0.392453    113.779     
1 1 1 10 33 2  o 20.401  5.84899 1.16498      3.95717  7.01746      2.98782  7.87447     316.591     4.14109     316.591     
1 1 1 10 33 3  o 16.0319 5.22193 -1.03919     3.68475  3.10038      2.82087  2.27606     112.089     0.368692    112.089     
1 1 1 10 33 4  o 16.4027 5.4679  3.07494      3.74929  0.764231     3.39898  6.90737     216.766     2.70917     36.7663     
1 1 1 10 33 5  o 14.264  4.73292 1.69814      2.64585  -1.43761     2.75701  4.26767     136.201     5.99635     316.201     
1 1 1 10 33 6  o 14.2764 4.747   1.29391      2.63348  -0.861969    2.79877  4.75254     312.886     2.12453     132.886     
1 1 1 10 33 7  o 12.7818 4.36993 -1.34228     2.51771  -0.862079    2.70874  3.31794     75.6811     4.4817      255.681     
1 1 1 10 33 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 33 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 33 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 10 33 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 0  1  o 33.5997 6.79385 7.48286      3.0462   7.48286      3.0462   26.2542     270         60.3574     270         
1 1 1 11 0  2  o 264.85  2.74267 382.264      11.1803  382.264      11.1803  331.336     180         139.707     180         
1 1 1 11 0  3  o 241.169 2.75114 317.006      10.211   317.006      10.211   159.37      90          157.42      270         
1 1 1 11 0  4  f 283.355 2.73279 437.514      11.9191  437.514      11.9191  274.297     2.96322e-06 0           0           
1 1 1 11 0  5  o 123.427 2.48869 83.1666      4.72142  83.1666      4.72142  104.692     90          18.9008     90          
1 1 1 11 0  6  o 76.8019 2.89255 32.3988      3.39861  32.3988      3.39861  1.11819     3.69062e-05 4.86125     180         
1 1 1 11 0  7  o 188.904 2.30738 194.505      6.70743  194.505      6.70743  118.222     270         136.057     90          
1 1 1 11 0  8  o 301.324 2.24708 494.626      10.424   494.626      10.424   299.774     360         5.58594     360         
1 1 1 11 0  9  o 118.107 2.48942 76.1735      4.51843  76.1735      4.51843  106.399     270         39.7337     270         
1 1 1 11 0  10 o 583.992 2.28448 1857.54      20.5425  1857.54      20.5425  673.044     4.96705e-07 196.169     4.96705e-07 
1 1 1 11 0  11 o 187.671 2.1254  191.956      6.13869  191.956      6.13869  246.627     90          124.882     90          
1 1 1 11 0  12 f 318.232 2.21862 551.714      10.8698  551.714      10.8698  369.431     1.47272e-06 0           0           
1 1 1 11 0  13 o 87.8946 2.40101 42.267       3.23869  42.267       3.23869  69.3807     90          13.5541     270         
1 1 1 11 0  14 o 120.919 2.08348 79.7759      3.8743   79.7759      3.8743   156.934     0           105.112     0           
1 1 1 11 0  15 o 81.3272 2.28849 36.198       2.85566  36.198       2.85566  59.0572     270         32.1269     90          
1 1 1 11 0  16 o 158.757 2.00049 137.406      4.88706  137.406      4.88706  228.153     180         145.883     180         
1 1 1 11 0  17 o 46.8814 3.23605 12.3181      2.28155  12.3181      2.28155  2.29446     89.9998     8.34535     270         
1 1 1 11 0  18 o 15.037  5.38164 1.81308      1.54934  1.81308      1.54934  62.1005     180         133.9       180         
1 1 1 11 0  19 o 150.309 1.99974 123.198      4.62486  123.198      4.62486  141.962     90          9.76288     270         
1 1 1 11 0  20 o 272.282 2.06651 404.014      8.66232  404.014      8.66232  224.175     1.39689e-06 83.0454     180         
1 1 1 11 0  21 o 173.23  2.27371 163.677      6.06055  163.677      6.06055  177.641     90          17.609      90          
1 1 1 11 0  22 o 32.6303 4.49509 6.42971      2.01294  6.42971      2.01294  17.7356     180         67.8761     180         
1 1 1 11 0  23 o 138.86  2.03644 105.189      4.35026  105.189      4.35026  149.525     90          29.0825     90          
1 1 1 11 0  24 o 39.5428 3.31351 8.88132      1.94316  8.88132      1.94316  0.257385    5.14957e-06 54.2484     180         
1 1 1 11 0  25 o 11.1845 4.84862 0.558524     1.60251  0.558524     1.60251  58.0898     90          123.522     90          
1 1 1 11 0  26 o 67.095  2.50289 24.7438      2.56942  24.7438      2.56942  65.9168     360         4.25603     360         
1 1 1 11 0  27 o 197.064 1.98577 211.729      6.0232   211.729      6.0232   182.568     90          15.7292     270         
1 1 1 11 0  28 o 184.816 2.00629 186.263      5.7068   186.263      5.7068   201.859     3.05854e-06 47.1056     3.05854e-06 
1 1 1 11 0  29 o 97.5707 2.23262 52.0574      3.3465   52.0574      3.3465   103.538     270         19.1471     270         
1 1 1 11 0  30 o 100.852 2.24608 55.6156      3.48034  55.6156      3.48034  133.938     180         74.0144     180         
1 1 1 11 0  31 o 42.9664 3.76389 10.5465      2.38758  10.5465      2.38758  36.7362     90          9.14646     90          
1 1 1 11 0  32 o 174.827 2.30616 166.905      6.20363  166.905      6.20363  168.027     180         1.10641     180         
1 1 1 11 0  33 o 65.0599 2.62121 23.337       2.60641  23.337       2.60641  76.8709     90          29.9747     90          
1 1 1 11 0  34 o 32.0261 5.18247 6.44489      2.22625  6.44489      2.22625  14.2973     180         16.9578     360         
1 1 1 11 0  35 o 151.585 2.382   125.716      5.55395  125.716      5.55395  189.21      90          89.7276     90          
1 1 1 11 0  36 f 13.9162 5.76833 1.29182      2.0767   1.29182      2.0767   50.3926     180         0           0           
1 1 1 11 0  37 o 17.6051 6.32232 2.56462      2.14242  2.56462      2.14242  0.0428505   89.9997     4.46532     89.9997     
1 1 1 11 0  38 o 37.4863 3.57858 8.14824      1.9598   8.14824      1.9598   35.0777     180         0.55793     8.65082e-06 
1 1 1 11 0  39 o 9.24037 4.39958 -0.710219    1.79518  -0.710219    1.79518  9.58747     90          26.2753     90          
1 1 1 11 0  40 o 23.2863 6.28808 4.14591      2.12511  4.14591      2.12511  4.16425     180         34.9808     8.65142e-06 
1 1 1 11 0  41 o 16.4533 5.74917 2.27442      1.74765  2.27442      1.74765  2.97083     90          18.0128     270         
1 1 1 11 0  42 o 53.9338 2.85325 16.3082      2.33848  16.3082      2.33848  42.0514     2.28851e-06 16.9861     180         
1 1 1 11 0  43 o 53.3342 2.87678 15.9803      2.33025  15.9803      2.33025  50.1907     90          0.667839    90          
1 1 1 11 0  44 o 9.40193 4.36979 -0.177597    1.59894  -0.177597    1.59894  0.688446    180         5.75211     180         
1 1 1 11 0  45 o 46.8995 3.13264 12.5593      2.21324  12.5593      2.21324  56.9426     270         26.6581     270         
1 1 1 11 0  46 o 10.5773 4.75018 0.348305     1.68495  0.348305     1.68495  1.67077     8.64928e-06 11.4407     8.64928e-06 
1 1 1 11 0  47 o 51.5233 3.02948 15.1132      2.36399  15.1132      2.36399  52.206      270         9.10642     270         
1 1 1 11 0  48 o 62.249  2.70154 21.8118      2.56702  21.8118      2.56702  76.0303     180         37.2389     180         
1 1 1 11 0  49 o 30.8025 5.50354 6.48925      2.25729  6.48925      2.25729  14.1007     270         28.4519     90          
1 1 1 11 0  50 o 23.0902 6.39343 4.44514      2.17421  4.44514      2.17421  16.0726     180         10.0506     8.66201e-06 
1 1 1 11 0  51 o 20.4293 6.19477 3.66629      1.99298  3.66629      1.99298  20.9451     270         5.98302     270         
1 1 1 11 0  52 o 58.6372 3.62692 20.3536      3.21478  20.3536      3.21478  64.07       180         21.2551     180         
1 1 1 11 0  53 o 13.3498 5.83846 1.40944      2.37209  1.40944      2.37209  4.38336     270         0.457392    90          
1 1 1 11 0  54 o 8.67958 4.37245 -2.76548     2.56691  -2.76548     2.56691  1.92421     8.65144e-06 16.9268     8.65143e-06 
1 1 1 11 0  55 o 15.2141 6.32156 2.42646      2.5044   2.42646      2.5044   7.2242      90          12.1271     270         
1 1 1 11 0  56 o 22.7828 6.68892 4.8918       2.33722  4.8918       2.33722  18.6896     3.21523e-06 3.50703     180         
1 1 1 11 0  57 o 12.4484 5.70819 1.04967      2.59874  1.04967      2.59874  0.0554906   269.996     0.0127993   89.9961     
1 1 1 11 0  58 o 13.9818 5.93736 2.03049      2.29973  2.03049      2.29973  1.7475      180         1.42346     8.65112e-06 
1 1 1 11 0  59 o 7.72679 3.8857  -1.97803     1.99489  -1.97803     1.99489  2.01668     90          6.94317     90          
1 1 1 11 0  60 o 9.3571  4.59461 -0.808568    2.322    -0.808568    2.322    0.834645    180         4.51365     8.52139e-06 
1 1 1 11 1  0  o 342.146 2.71764 637.779      14.3143  637.779      14.3143  225.712     270         224.132     90          
1 1 1 11 1  1  o 361.817 2.71443 719.197      15.1326  707.181      15.1141  438.37      271.704     181.199     271.704     
1 1 1 11 1  2  o 185.213 2.82505 189.799      8.05262  184.004      8.06033  92.2606     265.673     161.646     85.6732     
1 1 1 11 1  3  o 314.503 2.58253 539.974      11.8309  537.682      13.146   296.504     288.836     11.8471     108.836     
1 1 1 11 1  4  o 357.337 2.33956 711.724      12.2819  679.519      13.4093  393.593     126.499     98.8757     126.499     
1 1 1 11 1  5  o 453.117 2.34467 1124.81      15.6188  1111.95      17.0605  483.979     247.958     86.5516     247.958     
1 1 1 11 1  6  o 224.273 2.28096 280.074      7.89898  267.953      7.85388  186.183     139.538     49.1894     319.538     
1 1 1 11 1  7  o 332.439 2.34608 610.104      12.5568  593.999      11.4509  391.542     28.5971     146.466     28.5971     
1 1 1 11 1  8  o 312.536 2.25689 540.941      11.7204  523.314      9.95837  329.059     190.472     58.2201     190.472     
1 1 1 11 1  9  o 15.8064 4.64316 0.432237     1.88873  0.161094     1.83452  41.8618     78.8846     86.409      78.8846     
1 1 1 11 1  10 o 301.037 2.07677 489.402      9.61916  497.915      9.63469  269.29      198.674     42.1554     18.6742     
1 1 1 11 1  11 o 199.161 2.21459 208.868      7.0428   223.44       6.50635  153.785     41.4711     69.0724     221.471     
1 1 1 11 1  12 o 194.086 2.12078 201.133      6.32466  209.35       6.35075  123.964     202.192     121.485     22.1921     
1 1 1 11 1  13 o 133.787 2.14046 98.8753      4.57036  96.1729      4.24697  90.4247     12.42       65.1053     192.42      
1 1 1 11 1  14 o 42.3723 3.20182 12.1312      1.98736  7.90784      2.02863  73.8501     214.474     212.01      214.474     
1 1 1 11 1  15 o 222.219 2.01179 269.229      6.67125  268.887      7.0905   214.996     186.909     4.00967     186.909     
1 1 1 11 1  16 o 108.946 2.36665 69.7545      3.53703  59.9463      4.2839   85.9009     84.2976     23.6198     264.298     
1 1 1 11 1  17 o 26.4653 4.41532 4.75685      1.68835  3.19666      1.8844   39.0813     55.0907     99.6741     55.0907     
1 1 1 11 1  18 o 197.135 2.08575 217.057      6.32634  206.627      6.33385  187.19      24.0749     3.09737     204.075     
1 1 1 11 1  19 o 91.7127 2.17791 47.9845      3.08418  43.868       3.05524  98.0281     2.53133     57.9812     2.53133     
1 1 1 11 1  20 o 160.998 1.99328 145.691      4.94663  136.935      4.93363  174.508     9.11019     46.0242     9.11019     
1 1 1 11 1  21 o 213.826 1.97281 244.503      6.49244  253.991      6.49761  214.976     26.2029     20.5453     26.2029     
1 1 1 11 1  22 o 48.3708 2.85892 10.7655      2.07908  15.146       2.09082  11.5033     312.438     31.5474     132.438     
1 1 1 11 1  23 o 190.072 1.98024 190.838      5.78718  203.181      5.80089  139.925     221.039     83.6347     41.0392     
1 1 1 11 1  24 o 124.147 2.13997 80.3694      4.1944   87.8739      3.96389  152.769     246.316     81.4342     246.316     
1 1 1 11 1  25 o 184.162 2.13537 188.279      6.45159  181.703      5.64571  184.712     145.466     18.4688     145.466     
1 1 1 11 1  26 o 103.884 2.2993  57.9927      3.6566   59.8922      3.6905   102.561     227.119     13.9249     227.119     
1 1 1 11 1  27 o 86.4336 2.40536 43.7412      3.34584  38.0278      3.04682  78.0382     218.169     0.367099    218.17      
1 1 1 11 1  28 o 137.137 2.08258 101.565      4.39897  103.622      4.3965   149.308     52.5875     42.0048     52.5875     
1 1 1 11 1  29 o 39.3879 3.58245 7.42344      2.0914   9.94677      2.11412  12.9115     103.989     9.87597     283.989     
1 1 1 11 1  30 o 188.904 2.13314 200.274      6.22391  189.338      6.18373  202.885     141.144     46.912      141.144     
1 1 1 11 1  31 o 163.842 2.30451 149.979      5.81988  143.357      5.80665  158.767     110.191     6.65768     110.191     
1 1 1 11 1  32 o 218.393 2.21242 264.022      7.14769  257.247      7.71378  238.815     110.885     62.0645     110.885     
1 1 1 11 1  33 o 78.1301 2.57811 35.2359      3.10946  31.8097      3.07245  95.0052     220.656     52.9045     220.656     
1 1 1 11 1  34 o 13.2748 4.2116  -1.64929     1.81779  -0.202585    1.81086  7.35174     198.383     18.1627     198.383     
1 1 1 11 1  35 o 66.576  2.98523 27.1205      3.03382  21.9911      3.02872  53.6719     291.322     13.0457     111.322     
1 1 1 11 1  36 o 58.2571 2.90267 18.0441      2.5956   19.5549      2.5745   46.1296     40.5576     12.4882     220.558     
1 1 1 11 1  37 o 86.1482 2.5339  45.5779      3.44635  36.5175      3.24926  67.4087     43.7563     25.6504     223.756     
1 1 1 11 1  38 o 41.7689 4.12683 6.59899      2.42145  14.0495      2.46243  29.2247     293.427     15.9695     113.427     
1 1 1 11 1  39 o 33.7773 4.149   8.53511      2.04176  4.92898      2.0466   34.6722     24.7485     16.1423     24.7485     
1 1 1 11 1  40 o 139.999 2.22458 104.298      4.78824  112.011      4.79908  142.07      65.63       21.8199     65.6301     
1 1 1 11 1  41 o 62.4943 2.79219 24.9166      2.64722  18.9737      2.65642  45.9499     123.821     23.3253     303.821     
1 1 1 11 1  42 o 86.443  2.31249 40.8314      3.07833  42.088       3.06623  94.2807     148.981     28.6717     148.981     
1 1 1 11 1  43 o 67.0824 2.52289 23.7276      2.59333  26.5735      2.59334  52.3003     158.112     19.1991     338.112     
1 1 1 11 1  44 o 41.3668 3.39088 11.0917      2.09804  8.70496      2.10781  38.222      173.084     1.76449     173.084     
1 1 1 11 1  45 o 50.4992 3.10614 13.8082      2.28372  15.4447      2.50073  51.8783     12.1047     12.2877     12.1047     
1 1 1 11 1  46 o 18.7863 4.78485 1.75598      1.75483  2.19672      1.78832  8.76618     285.082     1.85143     285.082     
1 1 1 11 1  47 o 16.4921 4.59765 -0.473569    1.77358  2.29764      1.90275  6.36756     165.488     3.57892     345.488     
1 1 1 11 1  48 o 14.8002 4.33354 1.71156      1.75529  -1.32863     1.7642   3.64722     284.998     3.57666     104.998     
1 1 1 11 1  49 o 31.087  4.80469 5.4048       2.34108  7.27468      2.14325  30.2536     290.237     8.41202     290.237     
1 1 1 11 1  50 o 14.8435 4.48189 -1.53304     1.94332  1.7183       1.95461  6.15645     123.289     0.935098    303.289     
1 1 1 11 1  51 o 16.8834 4.86067 1.01412      1.8886   1.84059      2.09085  11.1995     2.48935     3.67676     2.48935     
1 1 1 11 1  52 o 28.8968 5.34973 5.30847      2.61107  6.85127      2.28483  28.9931     195.535     10.4313     195.535     
1 1 1 11 1  53 o 15.589  4.90427 -0.192679    2.40728  1.08627      2.3705   5.38893     162.509     12.647      342.509     
1 1 1 11 1  54 o 18.923  5.27931 0.933872     2.31316  3.87541      2.43082  15.6813     83.0524     9.1624      83.0524     
1 1 1 11 1  55 o 14.1518 4.52186 -0.986332    2.12618  1.07894      2.15804  6.34722     67.5189     1.14473     67.5189     
1 1 1 11 1  56 o 41.1691 5.02992 9.68958      2.89044  15.9561      3.19577  43.4749     188.445     15.4816     188.445     
1 1 1 11 1  57 o 36.3142 4.79554 8.5833       2.40471  11.1433      2.76767  41.1288     11.0197     20.9845     11.0197     
1 1 1 11 1  58 o 27.4406 5.48524 6.37337      2.38485  6.34031      2.45721  25.9298     346.062     11.2724     346.062     
1 1 1 11 1  59 o 22.0711 5.49964 4.40823      2.45282  4.66727      2.22336  15.1065     63.9643     3.35544     243.964     
1 1 1 11 1  60 o 32.7021 5.27898 11.7574      2.82544  7.02585      2.44391  35.6586     13.4063     17.2047     13.4063     
1 1 1 11 2  0  o 20.1134 6.61727 3.22264      2.27547  3.22264      2.27547  26.0513     90          54.3862     90          
1 1 1 11 2  1  o 398.532 2.06931 872.313      12.701   857.797      12.697   453.436     355.31      136.051     355.31      
1 1 1 11 2  2  o 55.9489 3.57426 18.8973      2.76696  15.5867      3.23006  12.4617     107.019     44.4601     107.019     
1 1 1 11 2  3  o 193.527 2.41016 209.159      7.49836  198.93       6.86516  174.982     47.9819     2.70409     227.982     
1 1 1 11 2  4  o 372.903 2.25551 757.367      13.9554  757.497      11.8633  393.093     152.225     66.0449     152.225     
1 1 1 11 2  5  o 256.795 2.1859  378.485      8.29014  340.389      8.93316  221.795     64.8913     44.3899     244.891     
1 1 1 11 2  6  o 138.224 2.2231  106.925      4.74677  101.255      4.71511  45.1897     223.398     158.334     43.3977     
1 1 1 11 2  7  o 147.316 2.06197 121.69       4.68374  114.776      4.66888  93.1371     346.765     76.8606     166.765     
1 1 1 11 2  8  o 341.51  1.93152 638.364      10.1623  632.118      10.1529  359.582     219.885     60.473      219.885     
1 1 1 11 2  9  f 111.351 2.25671 67.0825      3.73979  68.1239      3.98902  155.548     306.556     0           0           
1 1 1 11 2  10 o 117.962 2.28805 73.3029      4.14442  78.4734      4.15688  85.6086     63.5875     26.4268     243.588     
1 1 1 11 2  11 o 107.535 2.32914 60.0831      3.84641  66.1175      3.8518   40.1911     358.088     23.5582     358.088     
1 1 1 11 2  12 o 55.3128 3.02996 14.8518      2.50052  18.8269      2.60287  1.56255     159.363     47.97       159.363     
1 1 1 11 2  13 o 280.121 2.27259 434.18       8.98824  421.004      10.5311  328.092     334.778     117.637     334.778     
1 1 1 11 2  14 f 104.29  2.39116 56.6028      3.69119  62.1369      3.9806   103.681     306.161     0           0           
1 1 1 11 2  15 o 99.2664 2.25396 52.1783      3.54518  55.3587      3.32411  97.418      254.973     45.5727     254.973     
1 1 1 11 2  16 o 148.318 2.00711 119.984      4.58873  119.758      4.5795   134.024     166.192     9.33387     346.192     
1 1 1 11 2  17 o 62.3129 2.48163 23.6261      2.34396  18.977       2.37329  26.7123     257.129     38.7028     77.1289     
1 1 1 11 2  18 o 76.8475 2.3164  32.6115      2.73803  31.8984      2.73149  46.8183     200.076     37.9076     20.0763     
1 1 1 11 2  19 o 153.387 2.06528 127.231      4.73276  129.253      5.02132  100.568     66.9968     90.8603     246.997     
1 1 1 11 2  20 o 77.0526 2.48313 37.876       2.73595  27.4418      3.02679  28.1545     27.3606     80.2374     207.361     
1 1 1 11 2  21 o 167.653 2.12916 158.31       5.53568  148.265      5.4558   146.246     60.0096     25.7156     240.01      
1 1 1 11 2  22 o 128.026 2.05633 98.1278      4.06387  81.0066      4.02021  107.764     88.6876     22.3977     268.688     
1 1 1 11 2  23 o 76.2543 2.32561 30.7113      2.7149   32.8603      2.73202  24.1516     24.215      87.7549     204.215     
1 1 1 11 2  24 o 78.9603 2.31644 34.4628      2.8035   33.6794      2.81692  69.0277     86.5004     3.30491     86.5004     
1 1 1 11 2  25 o 119.5   2.09617 81.2769      3.86546  74.6048      3.84138  130.291     101.379     39.9349     101.379     
1 1 1 11 2  26 o 66.6314 2.49633 24.9404      2.55083  23.6694      2.55219  55.8763     358.699     0.902599    178.699     
1 1 1 11 2  27 o 169.189 2.0198  163.521      5.27708  148.875      5.24032  208.691     69.4976     98.4273     69.4976     
1 1 1 11 2  28 o 37.9012 3.6472  8.67899      2.14653  7.36964      1.99877  4.28679     137.454     65.5525     137.454     
1 1 1 11 2  29 o 20.8087 4.85049 1.29389      1.93607  3.04877      1.80084  16.2747     130.332     46.9867     130.332     
1 1 1 11 2  30 o 146.753 2.20246 117.882      4.9861   117.263      4.96826  134.597     337.365     8.18419     157.365     
1 1 1 11 2  31 o 43.3637 3.68314 8.32251      2.34105  12.8756      2.3802   9.63018     301.886     55.3821     121.886     
1 1 1 11 2  32 o 91.067  2.54266 42.376       3.38975  48.6219      3.73018  61.5354     245.147     46.6772     65.1469     
1 1 1 11 2  33 f 83.4644 2.51723 37.1794      3.23151  39.2609      3.22206  86.3502     215.151     0           0           
1 1 1 11 2  34 o 131.069 2.66455 92.0335      5.36547  96.6306      5.37704  142.403     354.852     39.5724     354.852     
1 1 1 11 2  35 o 94.4381 2.60503 51.4398      3.78856  46.697       3.76772  70.9766     264.754     33.8708     84.7535     
1 1 1 11 2  36 o 88.9923 2.27409 42.2861      3.12223  44.7386      3.09758  102.477     304.426     41.3881     304.426     
1 1 1 11 2  37 o 27.517  4.80979 3.26113      2.09717  5.6559       2.03359  15.7878     331.784     0.787835    151.784     
1 1 1 11 2  38 o 41.8719 3.87873 10.0673      2.43658  9.92367      2.4449   45.9806     43.3201     20.8148     43.3201     
1 1 1 11 2  39 o 21.4098 5.04925 3.42668      2.07143  1.60875      1.92175  5.55066     334.381     21.7271     154.381     
1 1 1 11 2  40 o 134.082 2.0797  101.422      4.30928  96.6666      4.27753  149.603     278.568     48.4287     278.568     
1 1 1 11 2  41 o 19.1605 4.80711 2.86548      1.86358  0.715967     1.86913  7.66199     305.15      2.98403     125.15      
1 1 1 11 2  42 o 17.7408 4.82444 1.42308      1.80154  1.33405      1.91156  5.76036     319.906     10.1282     139.906     
1 1 1 11 2  43 o 72.0699 2.46549 28.5615      2.73788  29.392       2.71745  59.0047     17.0953     15.1299     197.095     
1 1 1 11 2  44 o 30.5141 4.22567 7.1633       1.90861  4.17564      1.90665  30.2374     143.077     7.78595     143.077     
1 1 1 11 2  45 o 15.7508 4.51414 0.485089     1.73491  1.16528      1.69587  5.67513     153.625     9.56664     333.625     
1 1 1 11 2  46 o 13.9153 4.27202 -0.35446     1.70758  0.402963     1.7109   0.128427    184.69      18.4505     184.69      
1 1 1 11 2  47 o 14.2887 4.35468 -0.988043    1.7152   1.01768      1.86616  2.87147     244.213     7.77983     64.2128     
1 1 1 11 2  48 o 47.844  3.20975 13.5064      2.34248  13.2626      2.33041  63.6163     90.4697     44.8618     90.4697     
1 1 1 11 2  49 o 19.5593 5.01368 2.09496      1.96268  2.61212      1.94011  8.21204     254.454     14.3839     74.4538     
1 1 1 11 2  50 o 34.3128 4.46726 5.79419      2.24876  9.67829      2.24635  29.0633     286.915     1.95828     106.915     
1 1 1 11 2  51 o 14.3779 4.56044 0.595271     2.14629  -0.850376    2.07916  4.76277     270.747     11.5472     90.7474     
1 1 1 11 2  52 f 34.0441 4.73114 7.67082      2.41375  8.10968      2.36868  37.7429     252.04      0           0           
1 1 1 11 2  53 o 15.31   4.87646 1.19913      2.37945  -1.25455     2.62172  2.37177     72.4589     0.792264    72.4589     
1 1 1 11 2  54 o 27.1103 5.09919 7.63309      2.37125  3.64688      2.15957  21.0811     228.407     4.32123     48.407      
1 1 1 11 2  55 o 16.134  4.87301 1.70039      2.16053  0.997873     2.13765  9.09644     66.4209     3.6067      66.4209     
1 1 1 11 2  56 o 23.1148 5.86662 7.1478       3.02057  2.68155      2.52702  16.7498     338.283     4.04744     158.283     
1 1 1 11 2  57 o 25.5513 5.45258 5.40799      2.38677  5.6505       2.27043  25.4779     189.638     11.9059     189.638     
1 1 1 11 2  58 o 15.8787 4.87293 1.98297      2.21493  0.749555     2.24979  3.34902     7.02421     0.838215    187.024     
1 1 1 11 2  59 o 23.3394 5.45195 6.18049      2.37835  3.89472      2.29386  16.7526     63.3414     2.86779     243.341     
1 1 1 11 2  60 o 16.6111 4.98379 0.917897     2.18912  3.48696      2.35636  11.1266     333.469     0.938406    153.469     
1 1 1 11 3  0  o 105.591 2.39148 60.9047      3.87949  60.9047      3.87949  51.4142     90          81.5385     270         
1 1 1 11 3  1  o 160.866 2.22793 144.806      5.10899  137.152      5.87805  153.681     44.3342     98.2569     44.3342     
1 1 1 11 3  2  o 91.6629 2.65004 49.2046      3.5331   42.616       3.8832   1.63405     144.709     144.173     144.709     
1 1 1 11 3  3  o 394.469 2.15065 833.211      12.5312  862.016      13.5902  377.828     265.23      9.15892     85.2299     
1 1 1 11 3  4  o 192.979 2.23524 203.773      6.36365  201.934      6.90737  148.095     312.884     60.987      132.884     
1 1 1 11 3  5  o 104.616 2.59568 62.2084      4.17451  57.2439      4.17031  6.5422      80.0486     164.124     260.049     
1 1 1 11 3  6  o 112.858 2.41292 70.8527      4.00712  68.0645      4.35436  75.0478     301.627     16.2852     121.627     
1 1 1 11 3  7  o 324.433 2.00685 580.065      9.66658  566.607      10.3641  284.636     100.597     57.1864     280.597     
1 1 1 11 3  8  o 323.069 1.99743 575.545      9.62697  561.537      10.2293  262.631     342.27      99.6338     162.27      
1 1 1 11 3  9  o 309.226 2.20851 525.489      9.24691  516.371      11.6287  319.243     343.122     43.4468     343.122     
1 1 1 11 3  10 o 298.61  2.00481 495.772      8.9081   475.791      9.50438  258.864     45.6175     58.843      225.617     
1 1 1 11 3  11 o 288.67  2.00338 459.374      8.62681  448.556      9.16839  288.134     65.529      20.1975     65.5291     
1 1 1 11 3  12 o 243.843 2.02038 330.548      7.31738  317.375      7.83363  358.607     335.796     266.841     335.796     
1 1 1 11 3  13 o 191.572 2.11987 199.787      6.25445  200.139      6.25275  224.698     54.4187     90.7211     54.4187     
1 1 1 11 3  14 o 245.447 2.08579 331.51       7.89091  325.029      7.87562  171.124     29.4619     131.819     209.462     
1 1 1 11 3  15 o 89.4398 2.46477 41.858       3.27013  45.5266      3.50752  74.7106     178.877     5.39612     178.877     
1 1 1 11 3  16 o 97.6366 2.3479  56.7605      3.53358  47.4968      3.49801  70.862      24.0048     31.2984     204.005     
1 1 1 11 3  17 o 111.426 2.17079 66.0771      3.85002  69.3934      3.57892  118.295     252.371     39.8618     252.371     
1 1 1 11 3  18 o 206.857 1.95956 230.76       6.23719  235.648      6.24624  163.212     329.918     71.3438     149.918     
1 1 1 11 3  19 o 429.23  1.94021 977.63       12.8066  1030.95      12.8357  496.189     218.293     159.598     218.293     
1 1 1 11 3  20 o 109.934 2.09208 64.445       3.53399  67.4364      3.54157  111.554     236.779     26.2612     236.779     
1 1 1 11 3  21 o 154.636 2.05791 130.261      4.75694  130.468      5.03984  115.282     336.818     62.2027     156.818     
1 1 1 11 3  22 o 15.1398 4.23621 0.213511     1.48413  1.04676      1.47929  35.3764     121.4       77.0327     121.4       
1 1 1 11 3  23 o 144.34  2.09034 109.185      4.51815  118.115      4.77535  149.817     95.8852     30.0347     95.8852     
1 1 1 11 3  24 o 29.7438 4.41075 4.89844      1.77541  5.16196      2.13437  22.5143     89.801      79.8459     89.801      
1 1 1 11 3  25 o 181.32  2.14559 181.888      6.01819  176.773      5.96308  151.744     139.252     42.6775     319.252     
1 1 1 11 3  26 o 33.8457 3.80947 6.55173      1.89943  6.30253      1.93705  3.24389     77.7093     14.9516     257.709     
1 1 1 11 3  27 o 170.59  2.02037 155.807      5.29057  161.651      5.32326  150.029     160.465     24.1013     340.465     
1 1 1 11 3  28 o 212.356 1.98806 247.307      6.49949  244.645      6.50242  220.372     62.6492     36.3968     62.6492     
1 1 1 11 3  29 o 120.22  2.23105 74.5278      3.96064  83.4887      4.29491  97.8248     96.272      29.5729     276.272     
1 1 1 11 3  30 o 102.282 2.36661 49.7624      3.66053  65.1649      3.74357  73.0656     135.69      44.9084     315.691     
1 1 1 11 3  31 f 140.973 2.47307 106.097      5.09274  111.31       5.63653  141.868     180.918     0           0           
1 1 1 11 3  32 o 18.2047 4.79671 0.229107     1.97826  2.18094      1.79624  15.4669     205.009     47.8833     205.009     
1 1 1 11 3  33 o 110.763 2.53869 66.6931      4.32065  67.8493      4.32784  118.1       265.02      30.5653     265.02      
1 1 1 11 3  34 f 138.315 2.68539 106.145      6.21976  104.008      5.16868  97.7785     147.95      0           0           
1 1 1 11 3  35 o 59.7692 2.83217 18.6887      2.58852  20.8123      2.58854  34.4995     113.249     39.2528     293.249     
1 1 1 11 3  36 o 68.0092 2.79223 22.7019      2.79892  28.6053      3.01534  61.7167     239.873     0.451219    59.8731     
1 1 1 11 3  37 o 22.389  4.8524  1.66767      1.92883  3.9077       1.89383  6.38428     113.649     3.76944     293.649     
1 1 1 11 3  38 o 34.6784 3.87077 5.92085      2.03746  7.95824      1.90476  22.7843     188.763     15.0044     8.76323     
1 1 1 11 3  39 o 20.2719 4.89256 2.82975      1.86099  1.55668      1.86682  3.45056     174.69      0.0522692   174.69      
1 1 1 11 3  40 o 16.9133 4.71927 1.5618       1.84467  0.428711     1.83071  0.241471    265.454     23.6712     265.454     
1 1 1 11 3  41 o 92.9987 2.24944 51.8712      3.2177   44.0691      3.20023  93.2805     213.102     13.994      213.102     
1 1 1 11 3  42 o 28.4505 4.7036  5.3205       2.03882  4.49902      2.01356  13.9294     213.99      20.944      33.9901     
1 1 1 11 3  43 o 39.5956 3.74307 8.47842      2.2145   9.77777      2.22495  42.0974     181.02      14.424      181.02      
1 1 1 11 3  44 o 17.2632 4.53807 0.197866     1.69945  2.38937      1.7143   9.88427     279.37      2.02172     279.37      
1 1 1 11 3  45 f 30.6832 4.50888 7.43886      1.99306  4.27708      2.13659  29.0121     249.41      0           0           
1 1 1 11 3  46 o 35.4403 3.90565 7.12091      2.04313  7.96585      2.07745  32.1312     299.13      2.61695     299.13      
1 1 1 11 3  47 o 88.5003 2.36165 43.9465      3.20226  44.1842      3.22313  96.8833     162.939     32.0426     162.939     
1 1 1 11 3  48 o 20.8534 5.17388 3.21353      2.13942  2.22359      1.99019  14.5576     154.322     1.15758     154.322     
1 1 1 11 3  49 o 19.8741 5.15396 2.20805      1.95493  2.73526      2.17392  12.9528     23.3665     2.97846     203.367     
1 1 1 11 3  50 o 20.2824 5.2606  2.44595      2.39758  2.90204      1.95897  12.2999     56.6655     7.78366     236.665     
1 1 1 11 3  51 o 34.3539 5.1277  8.48154      2.50861  7.90776      2.74376  35.1613     297.541     11.0601     297.541     
1 1 1 11 3  52 o 15.1859 4.60696 2.18627      2.12405  -2.12225     2.13934  7.16193     206.431     2.80054     26.4307     
1 1 1 11 3  53 o 18.619  5.19892 2.07343      2.17464  2.55283      2.23181  9.79698     235.878     10.0324     55.8785     
1 1 1 11 3  54 o 18.8905 5.30722 2.39815      2.17551  2.7414       2.43776  8.40913     189.578     14.2353     9.57795     
1 1 1 11 3  55 o 14.0706 4.52871 0.957182     2.25204  -0.907436    2.09463  3.35125     185.967     0.831459    185.967     
1 1 1 11 3  56 o 14.5397 4.54269 -0.207314    2.03446  1.43126      2.03158  6.86382     221.559     1.1529      221.559     
1 1 1 11 3  57 o 17.0824 5.08928 1.10159      2.39197  2.7688       2.27875  9.36285     73.998      2.30668     73.998      
1 1 1 11 3  58 o 16.3179 4.86804 2.54377      2.14734  0.747719     2.13239  4.91134     59.9093     1.42277     239.909     
1 1 1 11 3  59 o 14.194  4.54462 -0.48851     2.07135  1.74496      2.25204  3.37004     273.035     0.682265    93.0348     
1 1 1 11 3  60 o 23.8464 5.59867 5.04711      2.47317  6.14119      2.38298  22.047      56.0435     6.41978     56.0435     
1 1 1 11 4  0  o 19.6436 6.27174 3.04914      2.03793  3.04914      2.03793  24.2481     270         50.6725     270         
1 1 1 11 4  1  o 84.3112 2.59891 35.3616      3.33933  42.4006      3.37452  12.8118     207.318     13.5824     27.3182     
1 1 1 11 4  2  o 315.346 2.07938 537.913      10.0922  545.393      10.1024  342.383     87.7169     81.6059     87.7169     
1 1 1 11 4  3  o 184.301 2.24524 188.477      6.6      181.609      6.14274  119.822     44.3091     102.735     224.309     
1 1 1 11 4  4  o 203.414 2.58059 234.048      7.24856  216.989      8.7787   260.473     252.409     174.855     252.409     
1 1 1 11 4  5  o 255.31  3.22297 360.778      8.91864  349.865      15.4585  195.038     142.075     97.7784     322.075     
1 1 1 11 4  6  o 299.298 2.5052  477.378      10.29    498.877      12.7228  289.451     78.3878     4.41414     78.3879     
1 1 1 11 4  7  o 126.764 2.35084 81.6281      4.39525  93.7968      4.77661  104.836     208.063     0.871172    28.0624     
1 1 1 11 4  8  o 133.341 2.25306 99.7076      4.62704  94.062       4.62255  127.472     39.703      33.3426     39.703      
1 1 1 11 4  9  o 431.098 2.07891 1034.55      13.804   990.534      13.7928  420.057     344.406     1.38142     344.405     
1 1 1 11 4  10 o 185.984 2.14328 187.583      6.13922  189.318      6.13719  115.71      343.483     121.313     163.483     
1 1 1 11 4  11 o 247.406 2.01746 328.993      7.39743  337.967      7.97067  240.801     101.16      7.31137     101.16      
1 1 1 11 4  12 o 143.336 2.04093 117.027      4.5122   106.958      4.49142  139.656     64.7544     17.4141     64.7544     
1 1 1 11 4  13 f 135.828 2.0394  103.062      4.27516  98.0138      4.25452  140.496     8.45662     0           0           
1 1 1 11 4  14 o 45.2996 2.95997 10.5711      2.04461  12.0273      2.02956  29.4053     73.9618     122.335     73.9618     
1 1 1 11 4  15 o 227.977 2.0915  289.844      7.34567  276.709      7.3364   193.315     317.51      51.6862     137.51      
1 1 1 11 4  16 o 101.706 2.40507 55.5989      3.9266   57.3237      3.58217  35.2231     348.742     117.313     168.742     
1 1 1 11 4  17 o 239.499 2.17143 306.142      8.30445  319.258      7.6844   260.531     170.888     61.0341     170.888     
1 1 1 11 4  18 o 131.435 2.17716 93.5074      4.41107  94.8429      4.40164  103.397     332.742     39.3143     152.742     
1 1 1 11 4  19 o 59.4374 2.53896 19.3543      2.31678  19.3256      2.30922  28.8092     202.631     2.09442     202.631     
1 1 1 11 4  20 o 74.685  2.41647 29.5939      2.86371  31.3933      2.66835  62.2435     170.181     12.1429     170.181     
1 1 1 11 4  21 o 110.415 2.0914  69.8021      3.55239  63.3146      3.54693  125.799     261.29      59.9777     261.29      
1 1 1 11 4  22 o 91.9674 2.22179 44.2892      3.13599  48.1147      3.14395  53.5021     182.329     59.397      2.32869     
1 1 1 11 4  23 o 135.1   2.04333 100.923      4.24979  98.1342      4.25141  117.508     161.742     18.1073     341.742     
1 1 1 11 4  24 o 94.1714 2.19056 46.4162      3.16881  50.4741      3.17163  93.9543     286.54      19.5099     286.54      
1 1 1 11 4  25 o 74.0387 2.79172 32.9037      2.75444  27.2742      3.45653  59.2237     106.546     11.9672     286.546     
1 1 1 11 4  26 o 111.079 2.16167 68.6259      3.68672  66.0994      3.70004  110.611     246.242     16.1256     246.242     
1 1 1 11 4  27 f 110.718 2.15654 67.9305      3.67918  65.9353      3.66686  109.437     55.82       0           0           
1 1 1 11 4  28 f 54.9489 2.90848 16.104       2.39008  17.1015      2.49663  53.005      80.1605     0           0           
1 1 1 11 4  29 o 107.226 2.41773 65.0492      3.83886  60.7017      4.11661  119.909     119.719     43.2024     119.719     
1 1 1 11 4  30 o 72.7459 2.70785 27.3376      2.90822  30.7589      3.13842  62.3523     292.827     6.23888     112.827     
1 1 1 11 4  31 o 91.2591 2.57025 46.7118      3.50617  44.562       3.69456  100.095     149.204     33.0653     149.204     
1 1 1 11 4  32 o 93.335  2.8648  43.5745      4.06555  52.32        4.1286   100.511     358.626     29.9872     358.626     
1 1 1 11 4  33 o 159.021 2.40222 137.671      6.33483  139.28       5.385    141.106     201.65      17.6251     21.6497     
1 1 1 11 4  34 o 91.9882 2.41253 42.4184      3.18051  50.66        3.64775  85.6462     17.0524     1.5844      17.0524     
1 1 1 11 4  35 o 110.765 2.48134 70.4908      4.24736  64.432       4.20195  118.724     145.984     31.4001     145.984     
1 1 1 11 4  36 o 37.6686 4.61047 8.09274      2.85214  8.29288      2.26728  26.488      68.8182     9.27927     248.818     
1 1 1 11 4  37 o 98.362  2.2809  53.3957      3.57971  53.1316      3.31589  92.3553     52.8022     1.21809     52.8025     
1 1 1 11 4  38 o 70.2718 2.551   23.6739      2.76956  31.2852      2.67501  69.8939     208.104     10.1444     208.104     
1 1 1 11 4  39 o 28.4757 4.3523  4.13862      1.90439  5.45387      1.80611  21.9561     77.815      1.65133     257.815     
1 1 1 11 4  40 o 41.4711 3.609   8.47021      2.21034  11.316       2.2631   33.6363     152.042     6.52497     332.042     
1 1 1 11 4  41 o 32.8199 4.29896 6.79368      2.09995  5.97111      2.08314  13.5393     339.287     30.8298     159.287     
1 1 1 11 4  42 o 43.1351 3.29728 12.5686      2.12192  8.82758      2.12174  38.6884     213.826     0.245887    213.826     
1 1 1 11 4  43 f 34.5737 4.20661 8.62269      2.10769  5.7207       2.15372  32.2189     126.68      0           0           
1 1 1 11 4  44 o 34.6352 4.19151 6.52064      2.13515  7.89986      2.16601  33.8369     180.091     7.00002     180.091     
1 1 1 11 4  45 o 23.4488 4.81167 3.60807      1.84173  3.27938      1.83921  16.133      116.164     5.40159     296.164     
1 1 1 11 4  46 o 39.5291 3.58479 10.233       2.10992  8.26353      2.12495  38.7087     101.547     8.09968     101.547     
1 1 1 11 4  47 o 18.2401 4.87933 2.1213       1.79157  1.28713      2.01795  9.07498     357.155     4.75796     177.155     
1 1 1 11 4  48 o 25.0546 5.17697 4.66397      2.04134  3.68045      2.25201  13.7904     353.824     14.1642     173.824     
1 1 1 11 4  49 o 30.4242 4.5616  7.96274      2.09493  4.284        2.08501  22.847      105.565     6.72212     285.565     
1 1 1 11 4  50 o 20.3956 5.13331 0.839172     2.34018  4.1679       2.12812  5.91791     11.4012     22.3823     191.401     
1 1 1 11 4  51 f 41.7222 5.09553 14.0079      3.04287  10.0251      3.17862  25.1253     352.095     0           0           
1 1 1 11 4  52 o 23.4402 5.13453 4.53471      2.06666  3.48357      2.05122  13.5274     232.045     11.7623     52.0448     
1 1 1 11 4  53 o 15.1993 4.80194 -0.574378    2.80074  0.978139     1.96224  8.99655     323.729     2.31434     143.729     
1 1 1 11 4  54 o 17.1933 5.18469 1.63878      2.40775  1.73351      2.42967  13.0778     245.717     3.03381     245.717     
1 1 1 11 4  55 o 38.2248 4.19516 9.35941      2.33324  10.6753      2.44315  44.6369     169.019     23.7206     169.019     
1 1 1 11 4  56 o 21.0885 5.43551 3.23075      2.53144  4.30733      2.17751  17.2366     77.8095     2.05441     77.8095     
1 1 1 11 4  57 o 14.7622 4.60625 0.355053     2.0441   1.34783      2.07431  2.78409     2.75099     0.105468    182.751     
1 1 1 11 4  58 f 18.041  5.22468 2.94203      2.3097   2.23729      2.33155  12.4389     330.862     0           0           
1 1 1 11 4  59 o 16.8057 4.88671 0.539819     2.17825  3.64783      2.16288  9.30685     230.928     2.00915     230.928     
1 1 1 11 4  60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 5  0  o 181.865 2.55539 180.352      7.15004  180.352      7.15004  174.183     90          8.57419     270         
1 1 1 11 5  1  f 178.037 2.46341 180.783      6.43709  164.786      7.01962  235.909     337.433     0           0           
1 1 1 11 5  2  o 346.105 2.07279 654.452      11.0459  650.557      11.0484  333.394     253.331     0.964351    73.3313     
1 1 1 11 5  3  o 267.423 2.09027 390.639      8.60955  388.478      8.60595  176.47      129.532     160.559     309.532     
1 1 1 11 5  4  o 128.964 2.4362  85.9918      4.81205  95.4922      4.84711  93.6244     131.721     34.5016     311.721     
1 1 1 11 5  5  o 247     2.26453 337.33       8.60492  327.452      8.61983  218.783     49.2687     32.7147     229.269     
1 1 1 11 5  6  o 140.576 2.39985 106.778      5.18475  108.57       5.20516  150.029     14.5185     78.7325     14.5185     
1 1 1 11 5  7  o 388.244 2.16024 831.437      12.4213  810.979      13.3775  411.874     76.6895     71.8143     76.6895     
1 1 1 11 5  8  o 140.465 2.56322 118.826      5.25683  96.8666      5.72317  129.701     294.38      9.87624     294.38      
1 1 1 11 5  9  o 67.9706 3.07482 25.6904      2.88815  24.8977      3.47547  5.06265     133.891     89.9785     313.891     
1 1 1 11 5  10 o 313.757 2.16147 536.445      10.0143  536.303      10.855   295.862     71.3353     15.0017     251.335     
1 1 1 11 5  11 o 92.5123 2.40903 47.8648      3.42802  45.5627      3.42255  51.4363     129.551     30.1714     129.551     
1 1 1 11 5  12 o 187.142 2.12804 190.405      6.13603  191.273      6.12906  119.391     34.4443     118.39      214.444     
1 1 1 11 5  13 o 44.5277 3.37039 10.774       2.25156  11.1132      2.29868  7.79618     73.4859     59.1065     73.4859     
1 1 1 11 5  14 o 154.291 2.06881 123.919      4.71889  135.676      5.1141   113.847     79.4865     63.3868     259.487     
1 1 1 11 5  15 o 144.09  2.09562 108.647      4.78889  117.751      4.48807  195.91      259.083     144.512     259.083     
1 1 1 11 5  16 f 169.331 1.99945 153.455      5.20474  159.101      5.22147  192.154     37.7346     0           0           
1 1 1 11 5  17 o 255.153 2.07557 359.167      8.15635  350.574      8.15297  247.011     239.676     3.02541     239.676     
1 1 1 11 5  18 o 83.8517 2.41243 35.8762      3.08729  41.0245      3.12111  55.0871     168.392     36.6387     348.392     
1 1 1 11 5  19 o 145.625 2.16908 118.594      4.872    112.693      4.85426  114.244     190.623     45.4814     10.623      
1 1 1 11 5  20 o 136.055 2.23073 93.3709      4.95449  108.883      4.29192  114.729     54.1699     24.2169     234.17      
1 1 1 11 5  21 o 51.2083 2.74987 13.5126      2.1323   15.3078      2.16734  16.9049     285.331     31.275      105.331     
1 1 1 11 5  22 o 153.579 2.01783 127.206      4.76839  130.009      4.77538  120.507     168.845     49.1452     348.845     
1 1 1 11 5  23 o 29.3636 4.04944 4.8897       1.76393  4.87838      1.76654  10.1792     23.0487     43.7861     23.0487     
1 1 1 11 5  24 o 77.9446 2.34237 30.85        2.79194  35.6533      2.80794  70.4569     0.300565    4.54271     0.300565    
1 1 1 11 5  25 o 50.5826 3.47624 13.7252      2.6784   14.5392      2.66632  26.9383     354.864     24.7488     174.864     
1 1 1 11 5  26 o 201.758 2.05114 222.388      6.14004  221.659      6.59613  239.605     38.7981     96.803      38.7981     
1 1 1 11 5  27 o 62.9417 2.65151 20.7212      2.56406  22.7353      2.54723  35.1539     41.1353     38.5823     221.135     
1 1 1 11 5  28 o 157.352 2.05042 132.091      4.96034  138.132      4.97464  153.674     259.102     10.7094     259.102     
1 1 1 11 5  29 o 77.2454 2.57895 34.5277      3.05148  30.889       3.05863  79.7957     313.394     23.0891     313.394     
1 1 1 11 5  30 o 36.3442 4.43328 6.87856      2.39482  8.11672      2.37874  14.6086     194.59      25.8493     14.5902     
1 1 1 11 5  31 o 93.3215 2.47945 44.3238      3.55463  51.2174      3.54367  89.3339     92.0021     6.5511      92.0021     
1 1 1 11 5  32 o 29.3757 4.82128 3.62638      2.11507  6.42789      2.21938  5.66192     315.482     55.4483     315.482     
1 1 1 11 5  33 o 39.7768 4.10138 10.9111      2.34459  7.1659       2.42297  1.33042     32.1159     70.9925     32.1159     
1 1 1 11 5  34 o 64.686  2.89728 24.7935      2.74653  21.4832      2.96238  64.3462     19.1097     14.25       19.1097     
1 1 1 11 5  35 o 91.4668 2.51061 47.3136      3.38355  44.7863      3.65963  80.6026     341.431     8.29921     161.431     
1 1 1 11 5  36 o 41.8571 3.4657  11.6531      2.17411  8.22231      2.14872  40.3272     69.6652     11.2782     69.6652     
1 1 1 11 5  37 o 70.1513 2.45792 27.4216      2.64043  26.9645      2.65311  65.5526     70.3356     1.76949     70.3357     
1 1 1 11 5  38 o 28.1346 4.29016 5.41852      1.80256  3.9257       1.81298  10.498      132.337     27.001      312.337     
1 1 1 11 5  39 o 64.9764 2.5353  23.1332      2.51028  23.7679      2.5435   50.0862     278.068     19.5244     98.0676     
1 1 1 11 5  40 o 73.3413 2.5183  29.7943      2.92158  30.0391      2.74577  74.6234     127.115     14.3651     127.115     
1 1 1 11 5  41 o 41.1443 4.1728  8.04093      2.64855  11.9153      2.29834  40.1472     226.874     8.1925      226.874     
1 1 1 11 5  42 o 30.875  4.6038  6.75613      2.16285  4.82099      2.08493  16.5566     192.89      20.9214     12.8899     
1 1 1 11 5  43 o 60.0043 2.75967 20.3429      2.60168  20.2318      2.46883  62.7107     293.462     15.7226     293.462     
1 1 1 11 5  44 f 40.4821 3.92366 8.68116      2.24237  10.7831      2.52142  31.5623     327.443     0           0           
1 1 1 11 5  45 o 16.559  4.58394 2.33653      1.84788  -0.737524    1.87174  6.38044     182.286     7.85934     2.28604     
1 1 1 11 5  46 o 23.6448 4.89978 3.52653      1.91861  3.59197      1.87938  15.9678     80.5535     5.46802     260.553     
1 1 1 11 5  47 o 15.7083 4.60616 1.12999      1.81231  0.356457     1.86791  1.88054     152.767     18.3186     332.767     
1 1 1 11 5  48 o 35.6526 4.17579 7.95924      2.21085  7.88342      2.21383  38.0415     139.181     15.3912     139.181     
1 1 1 11 5  49 o 15.7905 4.68506 1.07063      1.86968  0.650056     1.98763  4.73807     51.3407     0.731528    51.3407     
1 1 1 11 5  50 o 13.9324 4.63089 -0.707537    2.81982  -1.69918     2.17008  4.50384     302.491     0.336193    302.491     
1 1 1 11 5  51 o 17.129  4.89013 0.779389     2.02832  2.23086      2.02812  2.16823     335.699     23.3007     155.699     
1 1 1 11 5  52 o 17.2346 4.9419  2.78364      2.19849  0.352591     2.03012  8.43132     32.2999     3.28783     32.2999     
1 1 1 11 5  53 o 13.9951 4.55523 -0.849945    2.5199   0.0603116    2.05072  7.14573     312.488     5.20781     132.488     
1 1 1 11 5  54 o 37.2485 4.90306 8.9735       2.56734  11.2073      2.854    38.4078     294.865     12.3241     294.865     
1 1 1 11 5  55 o 20.7269 5.24992 3.70786      2.1146   3.20222      2.14859  15.0548     182.02      2.6291      2.0204      
1 1 1 11 5  56 o 19.4516 5.20655 3.03231      2.12807  3.14305      2.15092  12.0117     206.088     6.58335     26.0876     
1 1 1 11 5  57 o 18.0628 5.09144 1.7106       2.20904  3.23159      2.14404  8.50675     345.6       2.17454     345.6       
1 1 1 11 5  58 o 13.4909 4.39307 -0.936454    2.19884  0.764924     2.08934  2.01851     347.92      2.40372     167.92      
1 1 1 11 5  59 f 13.0335 4.33986 -0.492889    2.22899  0.112521     2.26781  2.79288     61.4414     0           0           
1 1 1 11 5  60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 6  0  o 48.3014 3.76802 13.1703      2.71569  13.1703      2.71569  29.6941     270         105.437     270         
1 1 1 11 6  1  f 112.213 2.51982 66.7412      4.3407   70.65        4.35425  232.903     250.243     0           0           
1 1 1 11 6  2  o 102.795 2.37206 55.6996      3.72854  59.6018      3.76898  45.2066     229.944     82.631      49.9443     
1 1 1 11 6  3  o 17.7791 5.0675  1.24929      2.27825  0.223207     2.00981  15.5136     224.076     32.627      224.076     
1 1 1 11 6  4  o 56.9342 3.55021 21.1458      3.58661  14.7708      2.59883  14.0924     129.05      91.2393     129.05      
1 1 1 11 6  5  o 93.9811 2.62541 47.0331      3.79816  49.4017      3.78376  62.8812     336.217     9.20916     156.217     
1 1 1 11 6  6  o 209.573 2.27867 238.91       7.37444  239.706      7.33284  205.641     6.71252     16.135      6.71252     
1 1 1 11 6  7  o 289.93  2.15261 457.935      9.98578  458.032      9.21995  252.194     102.941     54.2813     282.941     
1 1 1 11 6  8  o 375.922 2.00145 773.053      11.9898  766.736      11.1708  425.166     60.9532     123.092     60.9532     
1 1 1 11 6  9  f 223.79  2.0245  282.123      7.25095  263.753      6.70418  177.669     191.711     0           0           
1 1 1 11 6  10 f 77.8084 2.55772 35.0213      3.05922  31.1792      3.0459   94.2176     96.2501     0           0           
1 1 1 11 6  11 o 193.984 2.13261 193.642      6.34936  216.798      6.37779  187.822     339.397     8.2015      339.398     
1 1 1 11 6  12 o 202.754 2.20798 221.795      6.61229  226.311      7.169    198.559     9.79446     11.6758     9.79445     
1 1 1 11 6  13 o 43.313  3.91327 9.79756      2.25539  11.0491      2.83816  14.0959     243.93      81.4514     243.93      
1 1 1 11 6  14 o 185.469 2.22672 190.546      6.07979  184.491      6.61795  189.281     331.281     27.1647     331.281     
1 1 1 11 6  15 o 142.22  2.18858 102.17       4.7537   118.65       4.81683  179.883     324.549     101.835     324.549     
1 1 1 11 6  16 o 132.687 2.11902 90.1544      4.14539  101.968      4.51649  151.697     239.356     61.573      239.356     
1 1 1 11 6  17 f 230.923 1.94323 297.372      6.9163   283.984      6.90136  220.501     127.731     0           0           
1 1 1 11 6  18 o 283.286 1.92792 427.646      8.39651  447.298      8.42114  289.485     283.232     34.9034     283.232     
1 1 1 11 6  19 o 41.5828 3.32899 10.4362      2.08636  8.73784      2.0861   2.05966     282.829     21.1713     102.829     
1 1 1 11 6  20 o 104.855 2.311   57.6211      3.70809  62.4804      3.74235  107.846     259.479     31.6109     259.479     
1 1 1 11 6  21 o 57.3516 3.03822 17.655       2.47683  18.4836      2.84462  22.9967     11.2198     5.8714      11.2198     
1 1 1 11 6  22 o 194.978 2.06306 211.501      6.41214  203.157      5.97555  161.289     328.562     48.8082     148.562     
1 1 1 11 6  23 o 85.1051 2.2891  35.4955      2.97863  43.8686      2.98516  27.8794     317.471     101.107     137.471     
1 1 1 11 6  24 o 227.032 2.0335  282.759      7.32358  279.447      6.89058  262.647     232.09      93.1211     232.09      
1 1 1 11 6  25 o 205.689 1.98239 232.609      6.28022  228.846      6.27742  217.453     70.674      44.2768     70.674      
1 1 1 11 6  26 o 117.581 2.14314 74.9115      3.88164  76.0484      3.87246  119.428     100.866     21.8673     100.866     
1 1 1 11 6  27 o 177.804 2.09695 173.076      5.52681  171.931      5.94681  195.637     38.7466     56.1073     38.7466     
1 1 1 11 6  28 o 106.044 2.26816 61.2391      3.60338  61.6692      3.79388  100.085     341.737     4.27454     341.737     
1 1 1 11 6  29 o 18.0169 4.99398 0.766584     2.03038  1.34772      2.01862  6.10924     269.885     18.8681     269.885     
1 1 1 11 6  30 o 148.286 2.26047 118.061      5.16072  122.29       5.16137  148.074     32.0204     17.0427     32.0205     
1 1 1 11 6  31 o 37.1121 3.83906 8.36965      2.21789  7.14971      2.0405   10.5389     149.014     38.1544     329.014     
1 1 1 11 6  32 o 125.869 2.54846 85.168       5.14313  88.6318      4.70523  145.316     82.267      57.1457     82.267      
1 1 1 11 6  33 o 104.544 2.51159 58.8295      4.0448   61.2082      4.02847  109.485     316.347     25.9144     316.347     
1 1 1 11 6  34 o 61.0138 2.77056 21.9907      2.46901  19.1804      2.67929  36.1323     191.966     38.2645     11.9665     
1 1 1 11 6  35 o 24.8154 4.67502 4.64748      1.87969  2.52997      1.84412  6.20595     157.082     51.9111     157.082     
1 1 1 11 6  36 o 86.0897 2.52778 44.1644      3.239    37.7842      3.41544  66.2671     31.9349     27.3769     211.935     
1 1 1 11 6  37 o 78.3548 2.52991 30.5024      2.83032  37.6313      3.26354  78.4572     45.6452     12.0931     45.6451     
1 1 1 11 6  38 o 22.2941 4.76811 3.06275      1.71397  2.72576      1.84754  9.38509     151.764     14.7162     331.764     
1 1 1 11 6  39 o 50.9129 2.86607 16.0142      2.22476  13.1091      2.21381  51.7333     321.444     12.1189     321.444     
1 1 1 11 6  40 f 30.6238 4.09104 4.27532      1.83781  6.90339      1.85801  14.6683     288.93      0           0           
1 1 1 11 6  41 o 24.0633 4.72189 2.06208      1.77881  4.97229      1.99828  18.5102     217.532     4.2551      217.532     
1 1 1 11 6  42 o 21.104  5.1421  2.1971       1.90915  2.91184      2.14611  15.0725     104.198     0.740135    104.198     
1 1 1 11 6  43 o 62.792  3.02998 23.6412      2.7452   21.2065      3.04316  65.0855     266.771     15.4609     266.771     
1 1 1 11 6  44 o 19.756  4.87137 3.2323       1.96029  1.14216      1.81224  8.25191     10.0828     14.6879     190.083     
1 1 1 11 6  45 o 19.2135 5.10013 1.60906      2.19568  2.29617      1.93256  10.465      219.58      1.09551     219.58      
1 1 1 11 6  46 o 15.5644 4.48624 -1.42056     2.01342  1.8867       1.76212  4.75813     331.629     6.68336     151.629     
1 1 1 11 6  47 o 20.711  5.17361 3.2585       2.15978  2.05937      1.98438  9.69665     170.006     12.8706     350.006     
1 1 1 11 6  48 o 38.9807 3.90443 10.2681      2.35433  8.48708      2.19714  39.0749     202.907     10.2453     202.907     
1 1 1 11 6  49 o 43.3017 4.61633 9.89872      2.82176  14.7508      3.0886   43.7882     44.6501     11.194      44.6501     
1 1 1 11 6  50 o 18.019  5.09068 1.58412      2.13734  2.10113      2.14005  5.49792     124.575     18.2472     304.575     
1 1 1 11 6  51 o 18.9169 5.21092 2.58041      2.23181  2.03928      2.14456  13.1658     342.14      0.0319285   342.14      
1 1 1 11 6  52 o 15.8583 4.85013 1.00764      2.13002  0.850062     2.21965  9.29902     116.592     1.03264     116.592     
1 1 1 11 6  53 o 19.1815 5.01255 3.72433      2.03996  1.38476      2.08216  17          254.932     5.79611     254.932     
1 1 1 11 6  54 o 13.2036 4.33429 0.261229     2.07887  -1.60533     2.23113  5.7604      1.30994     4.82487     181.31      
1 1 1 11 6  55 o 21.0589 5.39861 3.85576      2.13931  3.53365      2.405    18.9846     217.65      8.7787      217.65      
1 1 1 11 6  56 o 14.3381 4.52432 1.08118      2.06535  0.0919254    2.01673  5.19021     110.073     0.108109    110.073     
1 1 1 11 6  57 o 14.8414 4.66095 0.962574     2.12983  0.747106     2.13149  3.8391      31.0603     3.72629     211.06      
1 1 1 11 6  58 o 22.7396 5.46308 4.56785      2.26406  4.93559      2.30614  18.3936     135.022     4.06139     135.022     
1 1 1 11 6  59 o 14.7976 4.73291 1.78618      2.33478  0.425102     2.31642  8.17967     293.842     0.220554    293.842     
1 1 1 11 7  0  o 205.861 2.29531 230.99       7.27213  230.99       7.27213  172.852     270         56.3682     90          
1 1 1 11 7  1  o 167.563 2.33604 157.021      6.04035  149.015      6.0125   122.545     12.2716     68.0126     192.272     
1 1 1 11 7  2  o 35.2031 4.4873  5.48953      2.40003  8.59459      2.21896  29.2943     235.191     80.661      235.191     
1 1 1 11 7  3  o 108.577 2.24337 66.8656      3.903    61.764       3.59208  75.1009     234.61      38.0812     54.6095     
1 1 1 11 7  4  o 475.662 2.00813 1249.16      15.2039  1216.18      14.2084  560.801     230.72      199.673     230.72      
1 1 1 11 7  5  o 179.286 2.13095 168.319      5.8725   182.084      5.88756  169.403     53.5046     2.86699     53.5044     
1 1 1 11 7  6  o 131.25  2.20769 95.2214      4.47743  92.524       4.44624  54.3179     193.023     135.477     13.0233     
1 1 1 11 7  7  o 68.9467 2.74783 29.1287      3.07166  23.0462      2.73872  29.2052     266.768     37.2273     86.7681     
1 1 1 11 7  8  o 207.001 2.13596 228.819      7.27806  238.209      6.28016  248.713     226.581     108.871     226.581     
1 1 1 11 7  9  o 365.514 1.99805 722.437      11.6088  733.493      10.8648  338.139     264.065     30.5758     84.0649     
1 1 1 11 7  10 o 131.544 2.06634 92.2535      4.17762  96.3577      4.19251  143.61      195.871     52.3316     195.871     
1 1 1 11 7  11 o 165.828 1.98921 148.005      5.07393  151.702      5.08478  207.411     177.011     110.599     177.011     
1 1 1 11 7  12 o 164.66  2.07312 146.299      5.43879  149.237      5.06348  147.942     53.5512     14.2455     233.551     
1 1 1 11 7  13 o 117.022 2.17252 74.0185      4.06265  75.3286      3.75385  97.7927     178.352     18.7418     358.352     
1 1 1 11 7  14 o 300.887 2.07667 490.198      9.6157   496.728      9.6279   264.306     246.496     51.187      66.4964     
1 1 1 11 7  15 o 109.337 2.30802 67.4141      3.87382  63.0993      3.88568  77.6188     207.229     45.0783     27.2286     
1 1 1 11 7  16 o 165.301 2.23755 141.313      5.45979  156.859      5.93463  171.121     336.023     32.124      336.023     
1 1 1 11 7  17 o 122.784 2.47537 79.6847      4.23315  84.9645      5.1013   149.702     247.87      84.5169     247.87      
1 1 1 11 7  18 o 111.982 2.38628 67.3229      3.94275  69.6119      4.27559  81.1827     102.737     42.5184     282.737     
1 1 1 11 7  19 o 28.4652 4.03167 5.96939      1.70391  3.34104      1.70373  10.6817     230.559     34.0123     230.559     
1 1 1 11 7  20 o 198.017 2.04868 211.741      6.0107   215.873      6.47844  196.404     352.087     17.4212     352.087     
1 1 1 11 7  21 o 76.9423 2.54867 31.7873      2.99896  32.9796      3.02334  76.9886     100.823     33.7819     100.823     
1 1 1 11 7  22 o 193.609 2.30021 198.416      6.33323  210.686      7.36938  185.192     348.257     2.6918      348.257     
1 1 1 11 7  23 o 105.945 2.32634 59.9913      3.7956   62.6312      3.78416  111.264     73.1864     29.5049     73.1864     
1 1 1 11 7  24 f 51.9233 2.84077 15.1496      2.24318  14.4849      2.26276  47.7702     142.007     0           0           
1 1 1 11 7  25 o 23.9064 4.78366 2.79547      1.83363  3.65059      1.8629   2.02709     161.561     7.25456     161.561     
1 1 1 11 7  26 o 184.237 2.08121 187.766      6.10842  182.654      5.69825  193.9       86.4924     40.3997     86.4924     
1 1 1 11 7  27 o 164.819 2.04674 145.822      5.19688  150.661      5.19136  132.393     167.89      46.3701     347.89      
1 1 1 11 7  28 o 147.229 2.39634 121.725      5.44598  115.189      5.41744  137.984     37.3761     0.8552      217.377     
1 1 1 11 7  29 o 103.661 2.58177 58.5052      4.12311  59.1995      4.10615  69.0949     209.737     55.3534     29.7367     
1 1 1 11 7  30 o 30.6321 4.3049  5.68818      1.95264  5.04357      1.96459  4.63589     195.399     2.395       15.3994     
1 1 1 11 7  31 o 73.5069 2.86767 31.0041      3.24282  28.4983      3.22035  53.2306     87.1098     26.7062     267.11      
1 1 1 11 7  32 o 37.6872 4.39657 8.92247      2.47245  7.30431      2.43994  20.7743     353.847     14.6        173.847     
1 1 1 11 7  33 o 60.2965 2.72551 19.3104      2.52078  20.8292      2.5106   52.5576     65.3445     1.53        245.344     
1 1 1 11 7  34 o 37.9497 3.47337 9.08459      1.9704   7.19043      1.96764  21.5963     13.2293     20.236      193.229     
1 1 1 11 7  35 o 20.381  4.9127  2.81248      1.92016  1.56245      1.82322  3.35726     292.759     12.1936     112.759     
1 1 1 11 7  36 o 79.6684 2.50514 34.8073      3.05551  35.3525      3.07572  72.6702     166.022     1.98735     346.022     
1 1 1 11 7  37 o 63.9474 2.57278 25.0549      2.52794  20.437       2.49976  61.0958     32.7574     5.24039     32.7575     
1 1 1 11 7  38 o 17.2452 4.65075 1.02349      1.63045  1.55018      1.80357  2.85337     259.097     30.9444     259.097     
1 1 1 11 7  39 o 12.9303 4.08157 0.211421     1.55038  -2.08466     1.94049  2.51378     186.09      16.411      186.09      
1 1 1 11 7  40 o 31.5824 4.30816 5.39322      1.86987  6.48251      2.17246  26.3826     354.172     0.125492    174.172     
1 1 1 11 7  41 o 38.4023 3.57836 8.35707      2.02804  8.68371      2.10139  22.8204     341.077     23.0367     161.077     
1 1 1 11 7  42 o 16.6968 4.62103 0.201432     1.70177  1.91386      1.84555  6.71069     156.023     1.15324     156.023     
1 1 1 11 7  43 o 21.2854 4.86732 4.15949      1.98224  0.970634     1.97268  15.7262     342.428     0.650128    162.428     
1 1 1 11 7  44 o 33.3912 4.4829  7.42216      2.18904  6.32383      2.24585  35.9359     88.1828     16.6301     88.1828     
1 1 1 11 7  45 o 22.3548 5.1728  3.30953      2.19867  2.98984      1.90549  16.595      346.273     2.20314     346.273     
1 1 1 11 7  46 o 27.1175 4.89777 2.69425      2.05605  6.9705       2.27538  18.9215     296.652     6.94985     116.652     
1 1 1 11 7  47 o 53.8568 3.57843 15.5564      3.12115  19.1282      2.60029  50.7392     142.69      5.17659     142.69      
1 1 1 11 7  48 o 23.7998 5.46335 3.62784      2.46823  4.25162      2.15982  21.4239     159.317     8.02026     159.317     
1 1 1 11 7  49 o 14.5109 4.56811 -0.345807    2.05972  0.426877     2.07177  3.3296      235.288     0.658287    235.288     
1 1 1 11 7  50 o 44.7214 3.75643 14.3197      2.67073  10.797       2.39097  46.6467     93.3468     14.4946     93.3468     
1 1 1 11 7  51 o 42.6208 4.13924 10.0987      2.65837  13.5922      2.5225   40.3061     334.576     5.9414      334.576     
1 1 1 11 7  52 o 41.7703 4.20502 11.5359      2.51122  11.6873      2.73723  39.3794     53.3732     5.3279      53.3732     
1 1 1 11 7  53 o 19.5517 5.04386 0.889574     2.22981  4.33447      2.12376  14.1367     170.828     2.63465     350.828     
1 1 1 11 7  54 o 19.8008 5.0968  5.1014       2.30875  0.35669      2.29998  14.3354     288.846     1.96926     108.846     
1 1 1 11 7  55 o 16.8152 4.95934 2.53282      2.08121  0.996901     2.31485  7.3807      74.9796     3.62692     74.9796     
1 1 1 11 7  56 o 23.5634 5.40669 4.81434      2.22271  4.71162      2.26573  19.1648     287.571     2.46717     287.571     
1 1 1 11 7  57 o 13.9562 4.48323 0.884477     2.12778  -0.247399    2.09277  2.6879      237.417     7.75037     57.4174     
1 1 1 11 7  58 o 14.5155 4.56618 -0.98756     2.31151  2.22045      2.0835   6.01476     318.969     3.84345     138.969     
1 1 1 11 7  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 8  0  o 45.5306 3.73975 11.7492      2.52988  11.7492      2.52988  43.3241     90          161.171     90          
1 1 1 11 8  1  o 131.662 2.40299 97.6244      4.86539  91.4461      4.86983  83.6564     97.6803     75.1805     277.68      
1 1 1 11 8  2  o 157.168 2.25507 137.08       5.68503  132.168      5.22787  159.284     318.317     29.3936     318.317     
1 1 1 11 8  3  o 224.255 1.95668 278.614      6.76059  269.419      6.75206  256.931     79.0749     90.1132     79.0749     
1 1 1 11 8  4  o 132.786 2.13259 100.465      4.51533  91.793       4.20772  91.8751     238.433     60.8527     58.4333     
1 1 1 11 8  5  o 81.6768 2.48612 34.5539      3.11657  38.3591      3.11591  50.8393     49.9146     21.336      49.9146     
1 1 1 11 8  6  o 350.614 2.23002 683.799      12.0466  656.26       12.03    403.087     74.9083     131.566     74.9083     
1 1 1 11 8  7  o 167.931 2.1368  149.213      5.52842  158.222      5.51907  158.51      344.679     2.76208     344.679     
1 1 1 11 8  8  o 88.8221 2.24514 42.9446      3.05335  43.1668      3.07841  71.9756     72.2849     2.12096     252.285     
1 1 1 11 8  9  o 135.113 2.04868 93.0226      4.25113  106.167      4.26044  110.906     29.0895     28.1746     209.089     
1 1 1 11 8  10 o 90.3264 2.23081 41.5966      3.09155  47.5584      3.09424  80.2424     333.394     9.63453     333.394     
1 1 1 11 8  11 o 65.5466 2.67563 22.4225      2.69162  24.6256      2.68148  15.9953     169.542     78.1684     349.542     
1 1 1 11 8  12 o 74.4192 2.5771  30.8852      3.18997  29.6749      2.68565  38.297      169.272     50.6393     349.272     
1 1 1 11 8  13 o 258.042 2.00873 358.169      8.22941  367.701      7.71823  209.296     17.8822     76.2335     197.882     
1 1 1 11 8  14 o 85.5186 2.2357  39.6483      2.94643  40.2104      2.93155  55.063      33.9665     39.6754     213.967     
1 1 1 11 8  15 o 120.695 2.07435 77.3218      3.84385  81.5359      3.86534  137.138     332.943     60.0217     332.943     
1 1 1 11 8  16 o 190.843 2.15351 197.859      6.81476  199.314      5.79762  148.204     92.9349     65.6108     272.935     
1 1 1 11 8  17 o 284.853 2.08347 445.103      9.14471  439.716      9.13307  305.529     40.302      67.2688     40.302      
1 1 1 11 8  18 o 115.833 2.29755 78.8019      4.08304  67.8853      4.08747  88.9436     38.8408     34.6434     218.841     
1 1 1 11 8  19 o 115.028 2.40331 71.1016      4.42242  73.4116      4.0681   71.8332     192.14      69.4139     12.1403     
1 1 1 11 8  20 o 146.889 2.29472 118.506      4.97631  116.909      5.39321  130.625     274.149     14.0724     94.149      
1 1 1 11 8  21 o 46.2338 3.25678 12.41        2.08606  11.2079      2.4456   22.7224     192.755     10.7176     12.7553     
1 1 1 11 8  22 o 105.755 2.39974 61.9819      3.5736   60.2191      4.19695  80.0066     329.795     35.4094     149.795     
1 1 1 11 8  23 o 94.5107 2.52268 48.401       3.74843  49.2624      3.57739  101.868     89.6692     36.0013     89.6692     
1 1 1 11 8  24 o 185.437 2.15963 188.407      6.16801  186.82       6.16565  203.188     311.561     57.3309     311.561     
1 1 1 11 8  25 o 150.78  2.13895 124.566      5.1444   123.551      4.783    158.029     20.2446     34.5794     20.2446     
1 1 1 11 8  26 o 26.2935 4.6516  4.93047      1.90767  2.99076      1.90394  3.44353     82.7783     24.0095     82.7783     
1 1 1 11 8  27 o 62.9565 2.95992 21.0303      2.85298  22.5614      2.85051  57.9711     113.898     8.53222     113.898     
1 1 1 11 8  28 o 143.22  2.40067 109.345      5.28029  114.939      5.30689  155.333     347.378     42.6127     347.378     
1 1 1 11 8  29 o 52.32   2.9246  14.2741      2.31909  15.9441      2.35087  49.3832     9.86915     15.7334     9.86914     
1 1 1 11 8  30 o 22.7422 5.14286 3.74747      2.07582  1.75766      2.12223  17.1855     128.282     64.3245     128.282     
1 1 1 11 8  31 o 94.8977 2.63036 48.8015      3.84648  50.1519      3.82533  57.384      59.6818     60.7582     239.682     
1 1 1 11 8  32 o 33.2535 4.05247 6.53281      1.97481  6.0856       2.0227   14.0673     69.4793     21.2363     249.479     
1 1 1 11 8  33 o 109.69  2.27864 67.2721      3.8408   64.8597      3.84745  106.676     105.609     10.0679     105.609     
1 1 1 11 8  34 o 66.5257 2.5136  23.8281      2.54912  25.0297      2.58165  72.38       298.21      25.4081     298.21      
1 1 1 11 8  35 o 49.5232 3.16588 15.0196      2.33767  12.4896      2.41156  50.3754     335.016     13.4242     335.016     
1 1 1 11 8  36 o 76.7156 2.81491 31.0926      2.95431  34.3853      3.66316  80.3969     43.0406     19.8936     43.0406     
1 1 1 11 8  37 o 53.3022 3.15611 16.876       2.47004  15.0837      2.64132  57.4161     356.681     19.5922     356.681     
1 1 1 11 8  38 o 56.1933 2.74229 17.8571      2.36781  17.4386      2.3489   41.4768     267.103     19.3178     87.1035     
1 1 1 11 8  39 o 58.8451 2.67649 17.7557      2.39633  21.0343      2.41576  54.265      282.177     1.77333     282.177     
1 1 1 11 8  40 o 99.5117 2.31755 55.0203      3.66585  54.9361      3.42279  109.901     261.126     36.7858     261.126     
1 1 1 11 8  41 f 21.9203 4.63701 1.57879      1.7767   4.07149      1.78582  9.97534     149.842     0           0           
1 1 1 11 8  42 o 65.5755 2.8839  23.7708      3.10915  24.9379      2.65002  57.6626     288.952     4.42239     108.952     
1 1 1 11 8  43 f 56.4636 2.84978 19.5898      2.4724   16.7401      2.44006  42.2718     124.599     0           0           
1 1 1 11 8  44 o 24.183  5.03131 4.98492      2.04945  2.3801       2.14211  12.4677     291.699     14.7549     111.699     
1 1 1 11 8  45 o 36.6805 4.46103 9.61987      2.33613  7.07393      2.46704  24.8124     226.175     14.5361     46.1746     
1 1 1 11 8  46 o 22.915  5.28751 2.87893      2.15073  3.98638      2.17293  17.0739     164.528     0.233609    164.529     
1 1 1 11 8  47 o 22.6903 5.52513 4.07616      2.17219  2.73029      2.65871  17.847      235.415     2.32635     235.415     
1 1 1 11 8  48 o 14.7349 4.66744 -1.50962     2.22245  0.905304     2.2598   5.5592      254.086     8.47499     74.0859     
1 1 1 11 8  49 o 24.7767 5.36009 3.7388       2.25746  5.14556      2.26436  25.4539     146.451     13.5716     146.451     
1 1 1 11 8  50 o 19.3987 5.20818 2.77249      2.13215  2.24057      2.17043  14.3691     121.376     2.89787     121.376     
1 1 1 11 8  51 o 37.8715 4.2027  7.22402      2.30178  11.8759      2.3108   39.9468     338.946     14.5555     338.946     
1 1 1 11 8  52 o 14.7749 4.64506 1.09962      2.24796  -0.177178    2.00084  4.30147     72.5971     2.01688     72.5971     
1 1 1 11 8  53 o 30.4306 5.12048 5.83506      2.48898  8.27203      2.31101  26.2729     189.236     0.856069    189.236     
1 1 1 11 8  54 f 22.6855 5.52507 4.89178      2.49618  3.87057      2.18071  15.2968     359.096     0           0           
1 1 1 11 8  55 o 15.8212 4.85821 2.9797       2.40726  -1.18017     2.29027  6.29808     224.51      2.23909     224.51      
1 1 1 11 8  56 o 19.1553 5.28262 4.63726      2.47886  1.2767       2.23572  9.98026     126.302     2.75716     126.302     
1 1 1 11 8  57 o 11.1839 3.83045 -1.72984     2.0132   -1.82745     2.05706  0.229739    274.015     1.98639     94.0148     
1 1 1 11 8  58 o 17.093  5.12583 3.222        2.43825  1.90246      2.26011  11.0245     162.739     0.722802    342.739     
1 1 1 11 8  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 9  0  o 207.703 2.28301 235.176      7.298    235.176      7.298    279.667     270         156.592     270         
1 1 1 11 9  1  o 82.5518 2.57877 43.445       3.41179  31.4931      3.10606  36.8229     100.197     67.9091     280.197     
1 1 1 11 9  2  o 136.394 2.19892 108.224      4.63265  94.7811      4.5916   76.0036     67.6833     102.195     247.683     
1 1 1 11 9  3  o 324.504 1.92948 568          9.64044  579.597      9.64207  318.913     312.744     14.5767     312.744     
1 1 1 11 9  4  o 97.7518 2.19271 53.7207      3.30413  50.5681      3.28696  79.7593     31.0439     9.28018     211.044     
1 1 1 11 9  5  o 134.335 2.28789 95.7136      4.53729  101.062      4.92816  150.044     269.463     58.9368     269.463     
1 1 1 11 9  6  o 123.954 2.2341  78.463       4.2484   89.2701      4.26358  85.3708     273.65      57.7872     93.6502     
1 1 1 11 9  7  o 337.217 1.9978  622.162      10.0278  617.274      10.7065  323.269     75.2054     1.62163     255.205     
1 1 1 11 9  8  o 94.5309 2.21925 48.7468      3.23187  48.7844      3.22014  31.5487     60.0665     109.109     240.067     
1 1 1 11 9  9  o 198.115 1.97089 213.235      6.01869  214.577      6.00661  173.445     216.657     29.3551     36.6571     
1 1 1 11 9  10 o 253.312 1.9422  344.976      7.57255  354.463      7.57841  326.693     317.179     172.878     317.179     
1 1 1 11 9  11 o 86.3252 2.24982 40.4225      2.99389  40.9466      2.97708  25.5638     21.2828     104.434     201.283     
1 1 1 11 9  12 o 127.151 2.0674  85.4665      4.04191  90.8378      4.05146  58.6992     267.971     120.101     87.9709     
1 1 1 11 9  13 o 68.5829 2.44984 27.9         2.56577  23.63        2.57708  49.078      334.299     0.0858736   154.298     
1 1 1 11 9  14 o 222.57  1.95085 275.448      6.69141  264.663      6.67921  233.179     345.051     44.83       345.051     
1 1 1 11 9  15 o 112.614 2.19292 68.7116      3.94243  69.7063      3.64784  86.9265     18.0956     30.6937     198.096     
1 1 1 11 9  16 o 93.6015 2.45385 48.1609      3.71634  47.5702      3.33697  92.2648     328.261     26.27       328.261     
1 1 1 11 9  17 o 15.4014 4.06454 -1.6375      1.60146  2.07567      1.48954  17.2571     67.8654     38.2194     67.8654     
1 1 1 11 9  18 o 110.946 2.23071 64.8404      3.64539  69.5887      3.96994  88.8863     255.339     25.4683     75.3386     
1 1 1 11 9  19 o 139.745 2.333   107.186      5.21793  105.909      4.81715  133.124     189.259     5.90024     189.259     
1 1 1 11 9  20 o 75.6169 2.60391 32.9492      3.03888  29.6716      3.00233  54.7785     27.8694     24.0378     207.869     
1 1 1 11 9  21 o 48.3808 3.53596 14.7703      2.67862  11.2393      2.4952   20.0166     140.302     34.7698     320.302     
1 1 1 11 9  22 o 86.6006 2.45909 41.9822      3.10697  40.0348      3.42141  97.6259     106.224     47.8108     106.224     
1 1 1 11 9  23 o 61.0632 2.66818 21.3178      2.49742  19.5896      2.49249  47.3006     177.272     26.2246     177.272     
1 1 1 11 9  24 o 50.2693 3.26101 13.9076      2.28405  13.9848      2.69032  19.4164     64.2767     42.9483     244.277     
1 1 1 11 9  25 o 90.9953 2.90528 44.5924      3.85104  46.1713      4.26532  99.3574     49.7856     36.8525     49.7856     
1 1 1 11 9  26 o 140.797 2.44776 110.997      5.31051  105.76       5.29716  150.972     81.7838     39.5087     81.7838     
1 1 1 11 9  27 o 52.3364 3.09901 18.2259      2.44482  12.2988      2.42649  49.8802     35.6844     17.079      35.6844     
1 1 1 11 9  28 o 179.637 2.16582 184.939      6.00072  167.965      5.97236  201.83      186.317     66.9729     186.317     
1 1 1 11 9  29 o 28.5007 4.68703 3.67505      2.05432  5.73288      2.01772  5.05702     143.514     17.2085     323.514     
1 1 1 11 9  30 o 178.871 2.35707 172.303      6.49328  178.202      6.48999  185.566     182.116     36.5983     182.116     
1 1 1 11 9  31 o 72.2216 2.80315 29.3863      2.9516   28.1347      3.24399  51.8177     226.538     27.2152     46.5385     
1 1 1 11 9  32 o 114.679 2.35846 72.258       3.96273  72.2077      4.34868  101.729     278.063     9.18785     98.0625     
1 1 1 11 9  33 o 54.1433 3.33917 17.5872      2.39666  15.2016      3.00913  46.4474     143.948     2.93649     323.948     
1 1 1 11 9  34 o 27.1329 4.47623 3.37624      1.78998  5.32889      1.91256  0.642591    81.0315     44.3178     261.031     
1 1 1 11 9  35 o 19.0838 4.66101 2.71615      1.75999  0.993114     1.67751  0.878111    343.29      30.4101     343.29      
1 1 1 11 9  36 f 68.4818 2.63447 27.7859      2.75582  24.3746      2.76894  58.8879     128.439     0           0           
1 1 1 11 9  37 o 18.8285 4.74608 1.54069      1.68395  2.12946      1.79445  5.9346      152.523     11.6526     332.523     
1 1 1 11 9  38 o 41.4432 3.27625 9.37517      2.04458  10.1854      2.06296  42.5952     53.1644     13.4453     53.1644     
1 1 1 11 9  39 o 17.0873 4.82229 0.5678       2.17401  1.38005      1.71144  1.43457     351.096     0.649559    171.096     
1 1 1 11 9  40 o 36.1696 3.87008 9.64405      2.04351  5.87962      2.03296  32.2296     103.783     1.34997     103.783     
1 1 1 11 9  41 o 17.1186 4.70235 1.59625      1.72386  0.889281     1.86019  7.54392     123.307     10.6428     303.307     
1 1 1 11 9  42 o 31.9128 4.18805 5.38293      1.97401  6.97448      1.9803   30.5247     69.487      6.86027     69.487      
1 1 1 11 9  43 o 41.416  3.6143  10.9684      2.3555   9.28307      2.15677  34.1093     350.691     4.91573     170.691     
1 1 1 11 9  44 o 16.2509 4.56999 1.8881       1.78996  -0.00578171  1.76992  5.81745     323.518     5.59336     143.518     
1 1 1 11 9  45 f 47.9926 3.47102 14.957       2.64902  12.2862      2.40787  28.9267     215.255     0           0           
1 1 1 11 9  46 o 28.5958 5.76545 5.01367      2.65157  6.48382      2.706    23.0419     358.751     0.901539    178.751     
1 1 1 11 9  47 o 23.4082 5.22762 3.21253      2.03781  4.36698      2.19845  18.372      185.265     0.136655    5.26555     
1 1 1 11 9  48 o 27.8646 5.48693 6.11604      2.34085  5.12689      2.58755  21.7771     212.854     3.60034     32.8542     
1 1 1 11 9  49 o 16.7864 5.08568 -0.852788    2.18012  2.68234      2.65714  8.78941     124.022     6.35083     304.022     
1 1 1 11 9  50 o 26.1328 4.71042 7.94445      2.15335  1.59471      2.37298  22.3055     115.981     1.88667     115.981     
1 1 1 11 9  51 o 27.113  5.26427 4.50176      2.14587  6.723        2.42472  24.066      328.246     2.89469     328.246     
1 1 1 11 9  52 o 21.3987 4.96252 5.65583      2.18728  0.886268     2.19156  19.2332     7.20335     5.23429     7.20335     
1 1 1 11 9  53 o 24.5767 5.18185 6.67583      2.26196  2.97632      2.29661  24.4338     37.2233     10.8393     37.2233     
1 1 1 11 9  54 o 30.7536 5.29062 7.46181      2.59865  7.61882      2.37062  26.1103     241.061     0.45574     241.061     
1 1 1 11 9  55 o 27.7693 5.54535 7.90454      2.51869  5.35257      2.56644  23.1184     164.166     1.52387     164.166     
1 1 1 11 9  56 o 15.3172 4.82344 1.00513      2.44439  1.09299      2.1574   4.45011     350.382     4.81201     170.382     
1 1 1 11 9  57 o 11.7006 3.99953 -1.68146     2.31633  -1.25062     2.07243  1.72286     333.338     5.96921     153.338     
1 1 1 11 9  58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 10 0  o 105.136 2.51362 60.4333      4.05892  60.4333      4.05892  30.9868     270         141.01      90          
1 1 1 11 10 1  o 186.486 2.12379 186.639      6.09752  192.494      6.09907  204.749     31.7584     59.6572     31.7584     
1 1 1 11 10 2  o 97.9767 2.33896 50.0872      3.51905  54.7555      3.5234   96.067      292.747     24.6764     292.747     
1 1 1 11 10 3  o 53.8554 2.90241 13.9793      2.43576  17.9815      2.28762  19.2698     284.864     8.55583     104.864     
1 1 1 11 10 4  o 149.546 2.02676 125.789      4.68482  118.05       4.64742  99.032      187.959     82.6963     7.95859     
1 1 1 11 10 5  f 46.7314 3.25074 12.4823      2.31352  11.6003      2.30217  50.8124     249.32      0           0           
1 1 1 11 10 6  o 94.0969 2.37079 50.5565      3.43952  46.173       3.41564  59.7398     113.518     48.4513     293.518     
1 1 1 11 10 7  o 90.6169 2.30827 42.1125      3.11828  47.6319      3.31299  51.1605     122.907     59.0653     302.907     
1 1 1 11 10 8  o 118.157 2.1064  72.6226      3.82556  79.7204      3.82991  106.409     104.412     1.4097      284.412     
1 1 1 11 10 9  o 57.3282 2.66769 16.5214      2.35216  19.5583      2.31462  26.9928     153.66      7.29715     333.66      
1 1 1 11 10 10 o 156.696 2.00581 132.167      4.83947  135.529      4.83979  94.0032     122.293     106.531     302.293     
1 1 1 11 10 11 o 187.713 2.03255 193.18       5.69112  191.002      6.05159  195.76      212.194     39.5271     212.194     
1 1 1 11 10 12 o 176.256 1.99354 174.865      5.41565  163.93       5.40207  190.255     197.562     52.0141     197.562     
1 1 1 11 10 13 o 278.123 1.93523 418.314      8.29114  425.029      8.28478  280.168     224.405     31.7481     224.405     
1 1 1 11 10 14 o 404.799 1.93258 877.735      12.041   908.988      12.0496  380.434     108.567     12.7873     288.567     
1 1 1 11 10 15 o 77.0727 2.45214 36.2082      2.82458  28.9468      2.93856  65.3695     33.635      5.46488     33.635      
1 1 1 11 10 16 o 118.609 2.11346 75.9845      3.86272  77.5082      3.85394  108.552     77.1009     0.352477    77.1008     
1 1 1 11 10 17 o 255.584 1.94854 349.846      7.6651   362.537      7.67091  226.143     91.2597     33.1091     271.26      
1 1 1 11 10 18 o 104.512 2.15754 59.0868      3.4779   60.1732      3.45884  77.3983     76.3619     37.2478     256.362     
1 1 1 11 10 19 o 137.312 2.26505 100.501      5.13131  105.33       4.39449  123.287     243.288     9.2303      63.2875     
1 1 1 11 10 20 o 99.164  2.47044 51.7618      4.0324   55.7557      3.45147  79.8655     179.406     20.8717     359.406     
1 1 1 11 10 21 o 23.467  5.1172  2.2412       2.29229  3.62645      1.88047  8.7057      96.9811     28.6217     96.9811     
1 1 1 11 10 22 o 151.817 2.23643 119.087      5.20009  132.667      5.24762  126.761     193.152     30.0333     13.1523     
1 1 1 11 10 23 o 57.2484 3.1127  18.4463      2.72557  17.6323      2.71938  2.28143     334.184     96.2502     154.185     
1 1 1 11 10 24 o 107.369 2.52384 62.0233      3.96477  64.0998      4.36526  105.085     333.534     13.6054     333.534     
1 1 1 11 10 25 o 48.7805 3.63432 13.4317      2.49379  12.9807      2.86026  2.22729     174.468     90.4539     174.468     
1 1 1 11 10 26 o 43.4758 3.56584 9.75375      2.33517  11.3162      2.33845  29.2313     31.9673     9.58903     211.967     
1 1 1 11 10 27 o 50.5042 3.42185 14.4679      2.61343  13.8264      2.64185  41.926      302.528     2.03356     302.528     
1 1 1 11 10 28 o 122.559 2.47063 81.8513      4.7085   82.7845      4.60615  108.247     350.107     10.4933     170.107     
1 1 1 11 10 29 o 80.7397 2.81711 36.5837      3.43693  35.192       3.54242  92.2609     123.014     42.1262     123.014     
1 1 1 11 10 30 o 20.0231 5.04037 2.7628       1.83769  0.619345     2.31667  10.2666     92.2565     42.4367     92.2565     
1 1 1 11 10 31 o 85.2234 2.30781 38.2806      3.01215  41.5595      3.03072  76.5154     121.05      2.56629     301.05      
1 1 1 11 10 32 o 39.0872 3.50081 9.35839      2.05438  7.90225      2.05102  31.1912     147.704     1.54592     327.704     
1 1 1 11 10 33 o 42.818  3.42063 9.34498      2.12265  11.3649      2.30615  42.8458     64.6831     13.4704     64.6831     
1 1 1 11 10 34 o 23.175  4.68397 2.32104      1.72784  3.97722      1.8425   5.1878      212.543     26.5623     32.5429     
1 1 1 11 10 35 o 106.974 2.26111 61.9537      3.80866  64.3621      3.62524  106.5       159.108     15.5985     159.108     
1 1 1 11 10 36 o 69.1206 2.94184 28.1158      3.42886  25.3846      2.79675  65.1511     286.061     4.47714     286.061     
1 1 1 11 10 37 o 48.3967 3.27438 13.7104      2.24054  12.8681      2.55252  49.1043     173.361     12.6655     173.361     
1 1 1 11 10 38 o 44.251  3.19467 12.7174      2.13664  9.63713      2.11892  39.4213     233.23      0.656721    233.23      
1 1 1 11 10 39 f 27.9828 4.49033 4.43288      1.9007   5.04087      1.88269  10.82       162.6       0           0           
1 1 1 11 10 40 o 81.0081 2.3897  35.4918      2.96865  37.7691      2.97824  72.523      288.159     3.00643     108.159     
1 1 1 11 10 41 o 31.1004 4.25772 4.81825      1.96224  6.98361      1.95665  24.203      199.035     5.19289     19.0348     
1 1 1 11 10 42 o 34.3847 3.98555 7.5687       2.0245   6.65177      2.04245  29.2916     355.623     0.567546    175.623     
1 1 1 11 10 43 o 28.8174 4.62585 5.54286      1.99863  4.89954      2.01541  23.8257     41.8667     0.339476    41.8667     
1 1 1 11 10 44 o 32.6274 4.31959 9.6107       2.05736  4.00151      2.06222  27.8817     126.445     0.793675    126.444     
1 1 1 11 10 45 o 17.4296 4.98766 2.13898      2.12814  0.310045     2.13626  3.88585     157.751     18.222      337.751     
1 1 1 11 10 46 o 46.3652 3.7089  11.1656      2.54053  15.1572      2.60767  37.5195     217.454     6.99459     37.454      
1 1 1 11 10 47 o 48.8693 4.03185 13.1537      2.93181  16.9525      2.97127  56.9059     195.58      28.0859     195.58      
1 1 1 11 10 48 o 13.9083 4.45224 -1.51963     1.9618   0.711398     2.19038  5.87229     225.257     4.49877     45.257      
1 1 1 11 10 49 o 16.3734 4.74836 -0.796555    1.96208  2.7719       2.15482  2.06961     8.23762     0.664332    8.23762     
1 1 1 11 10 50 o 16.6223 4.89648 1.35342      2.12938  1.51089      2.02937  10.3424     347.579     2.3286      167.579     
1 1 1 11 10 51 o 14.148  4.50674 -0.473084    2.00499  0.740691     2.14745  7.92503     20.4891     3.02784     200.489     
1 1 1 11 10 52 o 17.5932 5.10379 1.4094       2.35131  2.60182      2.15136  8.35171     131.972     10.6407     311.972     
1 1 1 11 10 53 o 27.3018 5.49603 6.04803      2.38269  6.25305      2.45995  21.2831     274.119     2.69384     94.1194     
1 1 1 11 10 54 o 15.0736 4.6502  1.91351      2.06348  -0.198356    2.13928  3.20262     174.241     16.0288     354.241     
1 1 1 11 10 55 o 20.7137 5.72803 5.1882       2.71026  2.50211      2.81697  13.1696     236.933     3.05965     236.933     
1 1 1 11 10 56 o 12.4405 4.19272 -1.75976     2.07225  -0.152334    2.34302  1.71048     279.428     5.59739     99.4278     
1 1 1 11 10 57 o 14.6208 4.63417 2.02147      2.19937  -0.0167556   2.20579  7.44226     50.5645     1.31372     230.565     
1 1 1 11 10 58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 11 0  o 14.643  5.83497 1.55619      2.00438  1.55619      2.00438  105.673     270         226.441     270         
1 1 1 11 11 1  o 269.748 2.07501 381.747      8.604    411.825      8.62595  222.756     306.864     67.9489     126.864     
1 1 1 11 11 2  o 153.764 2.23495 126.691      5.46673  131.147      5.1033   143.288     13.1742     1.22699     13.1742     
1 1 1 11 11 3  o 101.671 2.17711 53.7153      3.39451  59.1652      3.40931  64.2071     8.13068     54.6495     188.131     
1 1 1 11 11 4  o 43.7938 3.14855 10.6277      2.1071   10.5317      2.08054  17.5125     96.8137     98.5573     96.8137     
1 1 1 11 11 5  o 284.056 2.07702 462.621      9.10126  417.685      9.05367  298.669     59.1584     57.7859     59.1584     
1 1 1 11 11 6  o 207.928 2.10273 237.543      6.73932  233.872      6.72582  214.813     192.666     38.576      192.666     
1 1 1 11 11 7  o 199.127 2.13735 221.885      6.09208  210.567      6.9605   159.118     38.901      57.2783     218.901     
1 1 1 11 11 8  o 122.915 2.09777 80.7303      3.97352  84.0271      3.96626  74.7874     246.337     76.6643     66.3374     
1 1 1 11 11 9  o 158.993 2.01187 133.597      4.92248  142.091      4.92549  159.131     50.2064     24.1076     50.2064     
1 1 1 11 11 10 o 140.103 2.05108 106.142      4.4285   107.898      4.42134  131.749     91.2746     6.60501     91.2746     
1 1 1 11 11 11 o 193.187 1.97898 209.633      5.90749  197.397      5.86418  183.013     87.5583     3.66687     87.5583     
1 1 1 11 11 12 o 50.6151 2.88258 15.8275      2.22128  12.4341      2.20844  7.65741     54.9004     96.301      54.9004     
1 1 1 11 11 13 o 15.8189 4.38881 1.24761      1.57905  0.20919      1.59196  23.4938     50.6236     52.5135     50.6236     
1 1 1 11 11 14 o 246.337 1.94401 327.444      7.38298  334.262      7.36471  249.355     4.68869     33.0864     4.6887      
1 1 1 11 11 15 o 183.234 1.99153 178.284      5.6162   187.931      5.6196   179.825     253.267     15.8805     253.267     
1 1 1 11 11 16 o 158.63  2.03761 137.323      4.98187  137.131      4.97281  179.803     282.414     64.7302     282.414     
1 1 1 11 11 17 o 214.98  1.98215 254.208      6.56998  249.852      6.55344  226.094     155.078     47.3855     155.078     
1 1 1 11 11 18 o 150.661 2.07049 121.21       4.80971  126.418      4.79549  118.412     178.757     44.6884     358.757     
1 1 1 11 11 19 o 112.118 2.25629 65.86        4.01386  71.4888      3.7485   98.491      181.25      8.11449     1.24968     
1 1 1 11 11 20 o 123.305 2.12915 83.8543      4.04909  82.056       4.03617  116.043     271.389     5.65777     271.389     
1 1 1 11 11 21 o 99.915  2.25021 55.3151      3.47312  53.7808      3.44217  87.9807     253.362     4.8006      73.3618     
1 1 1 11 11 22 o 57.5458 3.06756 18.4044      2.69296  18.0395      2.70324  43.3303     117.137     7.22998     297.137     
1 1 1 11 11 23 o 30.4594 5.07308 3.58479      2.60952  7.01391      2.19182  0.381718    296.95      39.0941     296.95      
1 1 1 11 11 24 o 65.521  3.27713 24.777       3.27035  22.5624      3.29273  55.3397     152.128     4.4198      332.128     
1 1 1 11 11 25 o 64.5118 3.06265 25.4048      3.13927  20.5632      2.90456  74.3683     257.14      50.6575     257.14      
1 1 1 11 11 26 o 132.001 2.81093 100.098      4.98969  91.1938      6.27772  150.569     142.99      57.898      142.99      
1 1 1 11 11 27 o 127.545 2.56845 89.9065      4.78345  88.5284      5.27866  91.709      132.749     52.9734     312.749     
1 1 1 11 11 28 o 110.211 2.34929 69.9592      3.97587  63.3265      3.98124  95.3519     144.988     11.9683     324.988     
1 1 1 11 11 29 o 100.637 2.60422 60.0581      4.01822  51.4825      4.02087  91.871      220.606     0.606512    40.6062     
1 1 1 11 11 30 o 125.791 2.36656 84.4228      4.76969  89.4028      4.36951  110.739     170.701     11.1751     350.701     
1 1 1 11 11 31 o 15.5618 4.36848 1.39116      1.59965  -0.138778    1.62996  3.52017     243.927     16.0686     243.927     
1 1 1 11 11 32 o 49.3386 3.23194 15.7789      2.29241  11.6427      2.47435  49.7503     23.3682     13.55       23.3682     
1 1 1 11 11 33 o 71.9619 2.9476  25.7068      3.38435  32.1389      3.03345  71.1374     175.422     11.2554     175.422     
1 1 1 11 11 34 o 19.0411 4.55735 3.61903      1.91717  -0.560808    1.76974  2.21753     132.251     33.5442     132.251     
1 1 1 11 11 35 o 50.8213 3.14007 13.4025      2.56019  15.7376      2.24849  41.5931     64.0828     7.74729     244.083     
1 1 1 11 11 36 o 61.291  2.77624 22.5469      2.60316  19.5532      2.59897  60.1694     223.245     9.95572     223.245     
1 1 1 11 11 37 o 44.352  3.24331 9.8379       2.10602  12.6257      2.24631  33.4577     347.794     11.7688     167.794     
1 1 1 11 11 38 o 36.0866 3.77439 8.96609      2.02601  6.31519      1.99383  20.7108     35.2684     22.1596     215.268     
1 1 1 11 11 39 o 34.4712 3.88921 7.81292      1.98195  6.22711      1.98793  23.6342     15.1653     13.4595     195.165     
1 1 1 11 11 40 o 16.3092 4.55436 1.81595      1.75055  0.0423172    1.75493  6.31062     47.3321     9.93412     227.332     
1 1 1 11 11 41 o 13.6196 4.23793 -0.210256    1.73977  -0.104305    1.70521  9.83488     315.967     40.5336     315.967     
1 1 1 11 11 42 o 45.4063 3.31398 12.7711      2.28028  11.2696      2.27841  40.7708     254.896     1.58029     254.896     
1 1 1 11 11 43 o 39.7963 3.62653 9.22574      2.15394  9.57356      2.18752  30.696      301.593     8.02785     121.593     
1 1 1 11 11 44 o 67.7424 3.05092 26.1451      3.17416  27.1379      3.15649  72.5184     357.759     24.2277     357.759     
1 1 1 11 11 45 f 61.1364 2.96567 21.6902      2.77878  21.9601      2.7712   50.7009     307.238     0           0           
1 1 1 11 11 46 o 34.1812 4.33118 8.25831      2.20417  6.82476      2.17954  33.0834     278.967     7.77479     278.967     
1 1 1 11 11 47 o 28.421  5.56254 5.1091       2.52176  6.76673      2.55513  17.4252     249.387     13.588      69.3871     
1 1 1 11 11 48 o 19.1578 5.27258 2.93545      2.28098  1.79095      2.22814  13.6443     142.617     1.82711     142.617     
1 1 1 11 11 49 o 13.8455 4.4414  -1.32543     2.05646  0.697402     2.11824  4.04182     168.654     0.354509    348.654     
1 1 1 11 11 50 o 17.5166 4.97269 2.63918      2.03355  1.05239      2.17658  8.72929     69.4734     10.3687     249.473     
1 1 1 11 11 51 o 14.9224 4.65948 1.91325      2.27577  -0.958616    2.04068  8.22946     10.6054     3.69872     190.605     
1 1 1 11 11 52 o 14.3937 4.56933 -0.0895289   2.0668   0.907902     2.15838  7.12791     151.864     0.231028    331.864     
1 1 1 11 11 53 o 21.0038 5.65725 3.7077       2.27096  4.19799      2.82705  12.3461     206.692     8.59246     26.6919     
1 1 1 11 11 54 o 18.7341 4.74066 -1.48135     2.17174  5.42736      2.24032  8.33967     16.7523     11.0239     196.752     
1 1 1 11 11 55 o 22.1861 5.70179 5.88885      2.55337  3.22845      2.77806  16.007      158.88      5.37145     158.88      
1 1 1 11 11 56 o 14.8139 4.73151 1.22165      2.15598  0.996591     2.45691  4.90791     111.488     0.0829607   111.488     
1 1 1 11 11 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 12 0  o 289.598 2.25215 457.146      10.0407  457.146      10.0407  292.349     270         31.1097     270         
1 1 1 11 12 1  o 129.812 2.20821 91.7984      4.42441  91.9832      4.40379  120.188     168.948     4.78938     168.948     
1 1 1 11 12 2  o 143.38  2.18945 98.7993      4.79679  126.24       4.81977  126.694     204.306     10.1494     24.3058     
1 1 1 11 12 3  o 92.032  2.22832 46.277       3.14511  46.2091      3.16143  76.2909     348.808     4.77015     168.808     
1 1 1 11 12 4  o 78.2957 2.47701 29.5278      3.05345  37.7448      2.83837  50.2424     197.84      30.039      197.84      
1 1 1 11 12 5  o 79.1001 2.51001 34.7903      3.06212  33.6256      3.03667  61.7244     308.688     3.80489     128.688     
1 1 1 11 12 6  o 145.333 2.1838  120.868      4.88837  109.636      4.87798  115.961     129.881     36.4911     309.881     
1 1 1 11 12 7  o 125.758 2.07443 89.1639      4.02322  83.3524      4.00827  105.816     74.2843     17.4653     254.284     
1 1 1 11 12 8  o 38.3245 3.52545 9.85313      2.00663  6.63948      1.9867   8.11044     170.137     59.2908     170.137     
1 1 1 11 12 9  o 84.8404 2.29577 37.9455      3.00065  40.7188      2.98338  63.5547     96.6752     19.3092     276.675     
1 1 1 11 12 10 o 246.831 1.95784 316.288      7.41931  348.441      7.4524   254.621     168.16      44.2371     168.16      
1 1 1 11 12 11 o 104.803 2.16961 58.7528      3.51798  61.1722      3.47524  99.2698     165.77      11.4686     165.77      
1 1 1 11 12 12 o 161.583 2.02154 143.433      5.0389   141.317      5.02102  169.692     31.8673     39.4813     31.8673     
1 1 1 11 12 13 o 91.5374 2.26404 45.5553      3.19084  45.9793      3.18189  53.2238     269.288     59.4638     89.2884     
1 1 1 11 12 14 o 155.464 2.03795 128.203      4.86943  135.461      4.88584  140.739     56.0657     8.22374     236.066     
1 1 1 11 12 15 o 148.802 2.0397  120.082      4.67923  121.431      4.66808  152.832     31.2529     30.0911     31.2529     
1 1 1 11 12 16 o 24.8231 4.58304 4.44412      1.80732  2.56347      1.80068  9.49028     291.842     33.9549     291.842     
1 1 1 11 12 17 o 211.922 2.06764 243.714      7.00396  246.24       6.47775  246.364     232.665     96.7336     232.665     
1 1 1 11 12 18 o 247.684 1.95707 332.08       7.46182  337.127      7.46668  202.067     346.741     61.6261     166.741     
1 1 1 11 12 19 o 131.445 2.10887 93.7486      4.27476  94.8072      4.26221  149.937     318.803     60.339      318.803     
1 1 1 11 12 20 o 190.71  2.00724 198.095      5.89264  198.78       5.89679  190.401     250.119     24.8466     250.119     
1 1 1 11 12 21 o 83.307  2.58774 38.2207      3.32339  37.7878      3.29973  74.4268     1.75169     0.286664    1.75162     
1 1 1 11 12 22 o 58.4254 3.31086 18.6717      2.71556  18.9984      3.17596  39.5962     118.244     21.8672     298.244     
1 1 1 11 12 23 o 32.2818 4.69792 5.82045      1.94254  6.1039       2.56437  8.7031      336.574     26.1153     156.574     
1 1 1 11 12 24 o 48.4368 3.09465 12.5567      2.27923  13.4003      2.28555  32.0699     33.9965     15.7866     213.997     
1 1 1 11 12 25 o 101.677 2.53942 57.9034      4.16923  55.4892      3.76715  79.5644     51.6313     26.9735     231.631     
1 1 1 11 12 26 o 80.1604 3.1327  32.5317      3.81506  38.4904      3.8717   67.2228     334.653     9.22675     154.653     
1 1 1 11 12 27 o 40.411  3.87222 7.89157      2.31371  10.6162      2.33672  15.1802     80.5078     36.1064     260.508     
1 1 1 11 12 28 o 18.7617 4.89039 2.05816      2.04483  1.16739      1.68848  5.89553     280.862     26.948      280.862     
1 1 1 11 12 29 o 15.3804 4.51482 -0.968135    1.83308  1.21343      1.84234  6.41611     101.468     22.5069     101.468     
1 1 1 11 12 30 o 78.512  2.82484 33.72        3.71153  34.5247      3.05272  66.4786     103.713     9.81764     283.713     
1 1 1 11 12 31 o 23.4224 4.40752 1.12695      1.85932  5.03104      1.73914  8.70799     138.037     56.3735     138.037     
1 1 1 11 12 32 o 54.2217 2.87712 18.3542      2.379    14.5531      2.36478  45.7293     140.544     5.76984     320.544     
1 1 1 11 12 33 o 40.0936 3.53745 7.51402      2.08611  10.9512      2.1193   37.6477     36.5433     6.64389     36.5433     
1 1 1 11 12 34 o 55.6472 2.9407  18.5041      2.35413  16.2509      2.61277  57.689      330.293     16.4134     330.293     
1 1 1 11 12 35 o 68.1795 2.60263 23.9244      2.76263  27.9876      2.65821  77.1981     232.546     31.9528     232.546     
1 1 1 11 12 36 o 30.2159 4.79102 5.7037       1.98465  5.3475       2.36527  11.0349     113.411     29.6988     293.411     
1 1 1 11 12 37 o 31.6645 4.4624  7.63946      1.96767  4.51489      2.20278  22.2646     192.837     9.55886     12.8375     
1 1 1 11 12 38 o 24.5507 4.90187 4.04873      1.84873  3.35128      2.04582  20.5572     73.0026     2.1356      73.0026     
1 1 1 11 12 39 o 76.5431 2.45965 35.0304      2.89119  30.7377      2.88244  62.3756     207.292     13.9574     27.2922     
1 1 1 11 12 40 o 21.4328 4.84689 2.1138       1.82358  3.48609      1.85282  12.4068     350.45      7.96832     170.45      
1 1 1 11 12 41 o 21.5307 4.85954 1.83934      1.8855   3.82125      1.88277  14.7469     350.492     0.238622    170.492     
1 1 1 11 12 42 o 31.3656 4.39908 6.48376      2.02968  5.73577      2.06779  21.5161     348.128     9.99722     168.128     
1 1 1 11 12 43 o 26.8854 4.99119 2.77076      2.21015  6.78754      2.23523  15.7447     42.2302     12.9727     222.23      
1 1 1 11 12 44 o 21.3734 5.13523 3.26211      2.03107  2.74429      2.01391  13.1034     128.331     6.38969     308.331     
1 1 1 11 12 45 o 36.3689 4.25234 10.6465      2.30706  6.43814      2.21193  33.9299     8.52416     5.35826     8.52416     
1 1 1 11 12 46 o 26.6236 5.43617 2.3094       2.82491  7.78006      2.55719  23.8448     297.899     4.09642     297.899     
1 1 1 11 12 47 o 29.3507 5.05802 5.76339      2.32842  6.37147      2.20924  26.7733     207.783     5.0904      207.783     
1 1 1 11 12 48 o 13.1911 4.25239 -1.12991     1.92178  0.269288     1.93804  4.16398     185.488     3.42388     5.48754     
1 1 1 11 12 49 o 32.8101 5.03454 8.155        2.4563   7.47791      2.48582  35.3921     135.959     15.8318     135.959     
1 1 1 11 12 50 o 16.9351 4.98757 1.30877      2.04858  2.13195      2.26325  8.9262      74.1028     7.94712     254.103     
1 1 1 11 12 51 o 19.0642 5.44342 2.45175      2.16042  3.25827      2.77628  13.3364     307.873     1.40167     127.873     
1 1 1 11 12 52 o 18.8189 5.17868 4.06521      2.28481  1.32966      2.24225  14.6266     10.9871     4.04896     10.9871     
1 1 1 11 12 53 o 12.6395 4.21524 -1.93408     2.12697  0.126165     2.18399  2.52221     164.153     3.871       344.153     
1 1 1 11 12 54 o 16.4647 4.97999 1.46314      2.14367  2.08249      2.34117  5.35667     169.235     2.18358     349.235     
1 1 1 11 12 55 o 14.8608 4.70986 0.386361     2.34341  1.62496      2.17455  5.62208     175.807     5.72214     355.807     
1 1 1 11 12 56 o 13.8744 4.4826  1.95214      2.17652  -1.86132     2.40315  6.62806     152.352     4.62568     332.352     
1 1 1 11 13 0  o 11.8282 5.18009 0.535012     1.87352  0.535012     1.87352  12.2865     270         26.0156     270         
1 1 1 11 13 1  o 214.974 2.1148  242.577      6.99041  261.632      7.00411  208.585     6.29351     14.7449     6.29352     
1 1 1 11 13 2  o 52.5864 3.05341 14.3305      2.44635  16.1108      2.44819  1.0997      123.971     86.8795     123.972     
1 1 1 11 13 3  o 123.585 2.09222 86.1465      3.98608  80.4765      3.97417  110.764     277.664     2.85549     97.664      
1 1 1 11 13 4  o 200.812 2.05571 219.391      6.57154  220.391      6.13353  184.253     166.75      7.02493     346.75      
1 1 1 11 13 5  o 135.643 2.21658 99.7471      4.62878  100.965      4.63092  124.742     309.653     0.944086    309.654     
1 1 1 11 13 6  o 22.8032 4.70342 4.82762      2.01206  0.474186     1.95954  40.8002     144.072     104.848     144.072     
1 1 1 11 13 7  o 462.8   1.9516  1172.76      13.9195  1162.83      13.897   507.54      290.811     139.451     290.811     
1 1 1 11 13 8  o 30.1727 4.2665  5.74682      1.92708  4.60972      1.89837  12.8218     84.3856     55.9754     84.3856     
1 1 1 11 13 9  o 65.2316 2.58108 20.9093      2.56778  25.82        2.5749   7.55964     22.3995     99.6983     202.4       
1 1 1 11 13 10 o 92.2372 2.27284 48.8034      3.24109  44.196       3.20131  98.4148     149.701     36.4095     149.701     
1 1 1 11 13 11 o 208.784 1.9861  233.93       6.38818  241.514      6.38126  215.29      275.344     40.0143     275.344     
1 1 1 11 13 12 o 227.385 2.05622 271.301      7.45354  292.871      6.9067   249.897     122.537     74.2697     122.537     
1 1 1 11 13 13 o 208.724 1.98005 222.432      6.33388  253.221      6.37696  213.397     83.469      36.8418     83.469      
1 1 1 11 13 14 o 71.3746 2.60916 27.2931      2.96828  28.496       2.73644  47.1106     114.735     29.0241     294.735     
1 1 1 11 13 15 o 197.983 1.99486 210.501      6.08145  217.111      6.081    182.553     315.661     4.20347     135.661     
1 1 1 11 13 16 o 69.795  2.55456 26.7031      2.7471   26.6488      2.7253   47.2522     31.9104     24.9106     211.91      
1 1 1 11 13 17 o 51.0368 3.1491  13.0005      2.37947  15.7875      2.51334  19.4912     244.278     8.89202     244.278     
1 1 1 11 13 18 o 63.0278 2.8702  20.3443      2.59313  23.3321      2.95188  40.7228     230.689     26.2926     50.6892     
1 1 1 11 13 19 o 88.1784 2.83308 39.1158      3.38864  46.2746      4.28714  48.4138     144.784     63.4297     324.784     
1 1 1 11 13 20 o 104.313 2.53561 59.8101      3.9043   59.3099      4.2217   72.5421     24.8629     46.386      204.863     
1 1 1 11 13 21 f 144.123 2.26606 115.24       5.02665  111.781      5.03069  77.4799     216.377     0           0           
1 1 1 11 13 22 o 24.3532 4.6839  4.11772      1.80822  2.64079      1.84989  0.126979    59.7691     13.6089     59.769      
1 1 1 11 13 23 o 73.991  2.57327 30.74        2.8372   29.3762      3.00114  72.3385     253.775     15.153      253.775     
1 1 1 11 13 24 o 57.5104 2.93615 19.5281      2.60436  17.0263      2.55446  22.1674     269.66      56.5829     89.6604     
1 1 1 11 13 25 f 84.5818 2.66118 42.8928      3.46446  35.9375      3.43202  75.683      204.493     0           0           
1 1 1 11 13 26 o 62.8453 3.0983  21.7184      3.28426  22.0122      2.6293   60.6871     162.44      12.9378     162.44      
1 1 1 11 13 27 o 111.364 2.37344 68.96        4.41383  67.3061      3.69225  96.7386     117.503     10.5114     297.503     
1 1 1 11 13 28 o 60.5183 3.28593 18.6797      3.01478  22.2092      3.04615  27.0217     178.796     54.7865     358.796     
1 1 1 11 13 29 o 14.4076 4.53619 -0.356745    1.81829  -0.966284    2.25102  6.63493     165.903     25.8668     165.903     
1 1 1 11 13 30 o 107.062 2.15245 64.4698      3.53933  61.695       3.54912  98.8273     167.808     1.2499      167.808     
1 1 1 11 13 31 o 49.7273 2.99277 12.8383      2.172    14.8891      2.36871  42.3832     193.062     3.3833      13.0618     
1 1 1 11 13 32 o 48.529  3.50222 14.9631      2.70809  11.8427      2.44854  50.2946     61.2325     15.998      61.2325     
1 1 1 11 13 33 o 62.8007 3.22648 21.4119      3.46154  23.051       2.62905  62.9374     320.566     13.4549     320.566     
1 1 1 11 13 34 o 14.1825 4.27874 0.259984     1.66652  0.0182074    1.63226  0.4661      74.6708     5.50833     254.671     
1 1 1 11 13 35 o 29.1445 4.38232 6.47876      1.97141  3.81258      1.8633   12.1569     180.459     25.0855     0.459127    
1 1 1 11 13 36 o 24.9303 4.93459 4.53863      1.91005  3.01396      2.10635  18.6272     141.997     1.65381     321.997     
1 1 1 11 13 37 o 32.2642 4.24046 5.54517      1.96356  6.96947      2.09421  28.7242     310.531     2.18213     310.531     
1 1 1 11 13 38 o 51.2772 3.15192 16.5847      2.35967  13.6245      2.52251  45.5303     64.7302     0.281145    244.73      
1 1 1 11 13 39 o 12.3232 3.96766 -2.41986     1.64603  0.218003     1.78493  1.26462     125.345     15.8315     125.345     
1 1 1 11 13 40 o 36.5165 4.07696 6.55495      2.10814  9.71356      2.2931   29.5446     17.7245     3.5622      197.725     
1 1 1 11 13 41 o 19.6252 5.00099 2.64626      1.8932   1.7544       2.01581  8.03671     34.0926     12.7127     214.093     
1 1 1 11 13 42 o 15.9044 4.77223 1.30587      2.09972  -0.203044    2.02354  3.92417     163.6       12.6704     343.6       
1 1 1 11 13 43 o 14.7198 4.60551 0.32029      2.00832  -0.316641    2.1298   3.77171     98.041      2.49018     278.041     
1 1 1 11 13 44 o 17.0764 4.83834 2.30459      2.01805  0.394647     1.96602  9.96871     278.685     0.606186    98.685      
1 1 1 11 13 45 o 21.3387 5.60909 3.04238      2.44717  3.33177      2.47328  14.6841     263.351     4.32028     83.3507     
1 1 1 11 13 46 o 25.4918 5.61957 6.49446      2.68103  3.36656      2.33589  22.0718     351.601     3.86438     351.601     
1 1 1 11 13 47 o 15.9275 4.7515  1.23986      1.9431   0.955134     2.05335  6.65365     133.15      1.04777     133.15      
1 1 1 11 13 48 o 20.9111 5.24668 0.478471     2.10603  5.8985       2.61296  16.845      256.352     11.006      256.352     
1 1 1 11 13 49 o 12.526  4.13371 -1.80573     1.96514  0.0239976    2.0067   5.24751     167.469     3.92179     347.469     
1 1 1 11 13 50 o 18.4423 5.28542 2.75596      2.32379  2.23765      2.36008  13.4611     41.9434     1.42422     41.9434     
1 1 1 11 13 51 o 14.8677 4.69218 0.652879     2.10192  0.808194     2.26843  6.44849     64.0897     7.69146     244.09      
1 1 1 11 13 52 o 13.1404 4.36852 -0.633211    2.25751  -0.576791    2.26509  3.85386     147.562     4.26494     327.562     
1 1 1 11 13 53 o 15.38   4.84553 1.61198      2.29107  0.287437     2.40825  4.23044     294.309     6.7639      114.309     
1 1 1 11 13 54 o 18.4304 5.2411  3.86716      2.34509  1.96525      2.30933  10.4444     184.658     3.08732     4.65803     
1 1 1 11 13 55 o 15.4503 4.82788 0.213891     2.43921  2.58226      2.25514  5.51231     244.895     1.88086     244.895     
1 1 1 11 13 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 14 0  o 116.16  2.14058 73.6776      3.82306  73.6776      3.82306  134.15      270         48.8603     270         
1 1 1 11 14 1  f 133.385 2.22316 100.106      4.58771  94.0509      4.54292  79.6225     205.483     0           0           
1 1 1 11 14 2  o 130.413 2.24327 93.6263      4.50679  91.9417      4.50292  110.056     121.534     19.4535     301.534     
1 1 1 11 14 3  o 221.641 2.0463  276.462      7.24472  259.479      6.72498  255.677     239.371     98.1747     239.371     
1 1 1 11 14 4  o 68.3288 2.6725  22.5731      2.86828  28.7531      2.67301  42.18       260.791     32.6413     80.7913     
1 1 1 11 14 5  o 142.49  2.22421 105.569      4.8818   116.08       4.87004  143.363     353.535     25.0106     353.535     
1 1 1 11 14 6  f 166.681 2.10941 146.058      5.22078  157.115      5.6095   115.774     313.504     0           0           
1 1 1 11 14 7  o 175.883 2.02594 164.908      5.4829   172.546      5.4893   161.544     352.779     3.54376     172.779     
1 1 1 11 14 8  o 187.641 1.99762 188.887      5.77048  195.157      5.77251  187.924     18.8485     27.3261     18.8485     
1 1 1 11 14 9  o 75.5726 2.49049 32.4735      2.89431  30.0354      2.88329  69.4823     157.011     12.3595     157.011     
1 1 1 11 14 10 f 228.028 2.05376 286.193      6.9634   281.03       7.44666  179.752     314.132     0           0           
1 1 1 11 14 11 o 91.7727 2.28917 50.0082      3.22625  42.194       3.21664  105.395     82.9323     56.2408     82.9323     
1 1 1 11 14 12 o 47.0859 3.47613 12.7429      2.58714  11.8027      2.38044  15.2724     63.6996     40.819      243.7       
1 1 1 11 14 13 o 92.2955 2.33318 44.6732      3.32112  48.4857      3.29486  75.3772     84.7362     12.9988     264.736     
1 1 1 11 14 14 o 113.183 2.19717 74.6773      3.83528  65.412       3.80548  119.991     85.8708     36.9321     85.8708     
1 1 1 11 14 15 o 72.2029 2.87602 30.9279      2.81156  26.3567      3.45324  37.7877     153.152     51.7054     333.152     
1 1 1 11 14 16 o 19.2522 4.55945 0.0634906    1.72253  3.21863      1.79767  32.1639     306.402     85.6263     306.402     
1 1 1 11 14 17 o 75.8342 2.48052 29.1519      2.87687  33.9296      2.88867  49.3575     114.077     36.537      294.077     
1 1 1 11 14 18 o 114.488 2.32804 73.3874      4.11303  69.996       4.08593  117.058     221.167     25.3285     221.167     
1 1 1 11 14 19 o 139.814 2.23448 105.861      4.8039   107.781      4.81752  146.418     297.021     35.9328     297.021     
1 1 1 11 14 20 o 76.4424 2.56537 28.9759      3.0828   35.2877      2.89406  61.3686     266.404     13.2505     86.4043     
1 1 1 11 14 21 o 30.8795 4.12943 5.20732      1.89303  5.67234      1.88938  5.94691     77.7646     27.447      257.765     
1 1 1 11 14 22 o 63.5306 2.76473 20.7344      2.68321  23.7676      2.6904   56.4197     271.795     4.61449     271.795     
1 1 1 11 14 23 o 47.5194 4.53585 11.005       3.63809  14.6732      2.41465  26.7588     75.001      25.3117     255.001     
1 1 1 11 14 24 o 50.5085 2.97163 13.4742      2.22069  14.8122      2.36059  45.6934     139.625     9.88126     139.625     
1 1 1 11 14 25 o 85.6305 2.40832 40.3438      3.17696  40.27        3.16167  60.3024     99.1583     34.4529     279.158     
1 1 1 11 14 26 o 106.698 2.15711 64.4475      3.54258  60.56        3.53609  121.038     73.042      48.6622     73.042      
1 1 1 11 14 27 o 43.7387 3.28995 11.4095      2.23284  10.0725      2.12926  30.8903     104.001     13.1351     284.001     
1 1 1 11 14 28 o 23.3885 4.56378 5.01876      1.86974  1.13209      1.88331  9.37463     196.596     0.295463    196.597     
1 1 1 11 14 29 o 66.4699 2.62931 25.1885      2.80624  23.8366      2.55413  67.3736     269.874     15.5442     269.874     
1 1 1 11 14 30 o 15.1399 4.50652 0.847767     1.79355  -0.484518    1.85083  0.313929    123.1       10.2835     303.1       
1 1 1 11 14 31 o 46.9356 3.27213 9.90556      2.12382  15.2944      2.52637  34.0388     321.848     14.7844     141.848     
1 1 1 11 14 32 o 32.4642 4.30692 7.43932      1.99444  5.09233      2.12009  32.3832     217.709     17.2056     217.709     
1 1 1 11 14 33 o 39.4404 3.8337  8.96133      2.25126  9.0646       2.28237  43.9365     146.169     23.2661     146.169     
1 1 1 11 14 34 o 23.9101 4.82594 2.27407      1.91736  4.6031       1.9433   5.3496      12.5314     28.5994     192.531     
1 1 1 11 14 35 o 44.9775 3.45271 10.5106      2.46466  12.7865      2.16574  42.0596     154.626     5.09793     154.626     
1 1 1 11 14 36 o 22.7114 5.04915 4.39993      2.14801  1.82724      1.94057  19.4604     9.41353     5.49108     9.41352     
1 1 1 11 14 37 o 34.8119 4.22766 7.59407      2.21228  7.02693      2.15674  29.7194     128.101     0.220434    308.1       
1 1 1 11 14 38 o 19.724  4.96613 2.19226      1.93467  2.28527      1.86478  7.728       263.832     14.1543     83.8324     
1 1 1 11 14 39 o 94.8826 2.38726 47.8595      3.54522  53.4657      3.40041  91.5286     120.443     13.0509     120.443     
1 1 1 11 14 40 o 36.011  4.11215 7.9639       2.26639  7.82785      2.13755  33.8855     1.94848     7.43064     1.94848     
1 1 1 11 14 41 o 21.8391 5.43479 2.82157      2.13954  3.30955      2.39763  15.4745     74.7375     2.96077     74.7375     
1 1 1 11 14 42 o 16.3162 4.84731 -0.408384    2.19992  1.76675      2.08415  6.55616     237.485     1.63172     57.4853     
1 1 1 11 14 43 f 15.3812 4.75035 0.753673     2.14263  0.031067     2.12637  14.6413     173.967     0           0           
1 1 1 11 14 44 o 23.7179 5.26127 5.16204      2.21149  2.82333      2.22045  14.2328     353.368     10.6242     173.368     
1 1 1 11 14 45 o 26.484  5.89502 5.4434       2.37294  5.3718       3.07179  22.4099     286.995     2.58921     286.995     
1 1 1 11 14 46 o 32.2193 5.07751 7.64117      2.27829  7.16685      2.63478  28.1418     183.41      2.57021     183.41      
1 1 1 11 14 47 o 17.6651 5.09425 2.27207      2.10226  1.50444      2.31517  13.0628     230.637     3.01694     230.637     
1 1 1 11 14 48 o 14.7849 4.44173 2.49404      1.9992   -2.62919     2.08242  5.06118     130.688     2.07798     130.688     
1 1 1 11 14 49 o 22.494  5.51543 3.81187      2.1902   4.66005      2.47291  12.9534     162.882     9.53277     162.882     
1 1 1 11 14 50 o 12.402  4.14083 -0.864455    2.03003  -0.989759    2.1136   4.12929     229.585     3.47185     49.5854     
1 1 1 11 14 51 o 18.6106 5.28391 3.36117      2.31977  2.13175      2.35678  12.3846     148.361     4.3229      148.361     
1 1 1 11 14 52 o 14.0634 4.61416 1.28884      2.53555  -1.70081     2.29711  2.25958     269.379     3.36771     89.3789     
1 1 1 11 14 53 o 16.293  4.97068 2.74548      2.28457  0.404438     2.43756  6.7838      250.768     2.10769     70.7676     
1 1 1 11 14 54 o 18.8324 5.43389 2.82667      2.52665  4.22057      2.51064  12.1381     214.242     2.54808     34.2424     
1 1 1 11 14 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 15 0  o 111.351 2.19164 67.7306      3.75137  67.7306      3.75137  106.146     270         3.30602     270         
1 1 1 11 15 1  o 274.779 2.10411 413.307      8.90544  410.405      8.9007   302.048     76.7949     92.4232     76.7949     
1 1 1 11 15 2  o 85.8966 2.50753 37.3885      3.29504  43.4186      3.31105  34.7679     294.163     84.4156     114.163     
1 1 1 11 15 3  o 191.936 2.01508 209.856      5.97835  192.185      5.92672  146.267     48.1575     63.5767     228.158     
1 1 1 11 15 4  o 147.688 2.15993 122.319      5.10963  115.722      4.71495  157.439     53.772      45.4319     53.772      
1 1 1 11 15 5  o 36.4733 4.65668 5.16264      2.55948  10.2275      2.35263  2.0626      303.572     51.7112     303.572     
1 1 1 11 15 6  o 70.4327 2.64758 26.7633      2.74781  27.5813      2.97297  69.2696     29.6136     34.3251     29.6136     
1 1 1 11 15 7  o 168.447 2.04402 161.338      5.30994  148.362      5.28788  128.371     353.025     54.3325     173.025     
1 1 1 11 15 8  o 99.7323 2.24748 53.7824      3.45281  54.8989      3.44118  81.2684     196.721     15.4205     16.7213     
1 1 1 11 15 9  o 39.2678 3.68565 6.86969      2.11931  10.5207      2.14323  12.6284     152.766     86.2801     152.766     
1 1 1 11 15 10 o 34.3656 4.36333 6.22672      2.02655  7.15841      2.42375  3.42033     218.749     8.68187     38.7488     
1 1 1 11 15 11 o 116.841 2.38334 71.5227      3.91342  77.7637      4.64729  114.534     72.8655     18.2079     72.8655     
1 1 1 11 15 12 o 279.632 2.0106  424.964      8.35461  428.364      8.95268  280.593     197.931     41.4055     197.931     
1 1 1 11 15 13 f 145.465 2.072   123.681      4.65687  107.583      4.61178  130.861     243.767     0           0           
1 1 1 11 15 14 o 87.3445 2.63493 44.4388      3.37912  39.2241      3.6581   67.5366     18.0938     21.497      198.094     
1 1 1 11 15 15 o 105.943 2.22592 65.1458      3.63365  57.6956      3.61211  98.4068     11.615      4.64703     11.6151     
1 1 1 11 15 16 o 59.731  2.95531 20.3243      2.71524  18.9694      2.68537  21.6874     290.516     61.8836     110.516     
1 1 1 11 15 17 o 142.263 2.18477 112.814      4.79854  108.409      4.77282  121.356     65.7059     18.5153     245.706     
1 1 1 11 15 18 o 81.1246 2.60408 36.8624      3.24042  35.3703      3.24756  60.3985     310.483     24.0654     130.483     
1 1 1 11 15 19 o 68.9973 2.76985 29.9503      3.23088  22.6808      2.64062  80.6355     349.818     53.2019     349.818     
1 1 1 11 15 20 o 49.6725 3.39717 16.2827      2.80163  11.3725      2.32942  16.0088     37.1783     52.6023     217.178     
1 1 1 11 15 21 o 75.1334 2.54041 33.3535      2.93169  28.7914      2.91815  73.1019     327.621     14.866      327.621     
1 1 1 11 15 22 o 26.1543 4.5227  4.41149      1.82332  3.5317       1.79825  2.64955     282.336     3.89612     102.336     
1 1 1 11 15 23 o 17.4184 4.42359 0.554396     1.5727   2.13312      1.56424  5.43575     231.461     22.0441     231.461     
1 1 1 11 15 24 o 75.2131 2.48947 34.5068      2.8646   27.9935      2.86148  75.9132     238.239     18.4026     238.239     
1 1 1 11 15 25 o 44.245  3.30934 9.10109      2.18658  13.0288      2.18606  34.4606     140.731     5.91164     320.731     
1 1 1 11 15 26 o 34.4341 3.78906 5.26222      1.90307  8.48063      1.90509  21.635      299.205     13.7442     119.205     
1 1 1 11 15 27 o 65.9975 2.72859 22.4169      2.73482  26.0188      2.77779  57.3836     141.93      3.63985     321.93      
1 1 1 11 15 28 o 43.5508 3.32311 10.1233      2.09979  11.3258      2.28825  36.7024     248.624     2.01045     68.6237     
1 1 1 11 15 29 o 27.0886 4.56083 4.38269      1.81799  4.35768      1.93256  12.3104     110.035     19.1907     290.035     
1 1 1 11 15 30 o 34.2874 3.88363 7.12578      2.03401  6.53009      1.92908  17.0606     200.875     24.6141     20.8747     
1 1 1 11 15 31 o 22.2991 4.97887 3.44284      2.0009   2.41876      1.84382  12.4993     268.455     4.55457     88.4549     
1 1 1 11 15 32 o 47.1122 3.65406 13.22        2.58334  12.2945      2.62574  23.4111     350.765     36.5695     170.765     
1 1 1 11 15 33 o 21.0362 5.01955 3.22527      1.82412  1.57604      2.19654  13.0809     239.043     0.576188    239.043     
1 1 1 11 15 34 o 27.1475 4.56515 2.71068      1.88287  6.43759      2.01863  13.1888     269.536     19.5847     89.5363     
1 1 1 11 15 35 o 25.1246 5.02029 4.97933      2.09863  2.90251      2.04641  0.343348    89.7787     42.3759     269.779     
1 1 1 11 15 36 o 27.7987 4.8156  7.29619      2.267    2.60654      2.05992  25.6889     241.488     7.86373     241.488     
1 1 1 11 15 37 o 73.4358 2.68678 28.2037      3.00698  33.0348      3.03543  79.0621     231.9       27.8534     231.9       
1 1 1 11 15 38 f 36.337  3.90104 8.04998      2.1119   7.81252      2.11621  27.4118     189.748     0           0           
1 1 1 11 15 39 o 18.0795 5.03456 1.87788      2.05163  1.23091      2.08404  3.57803     140.307     0.386472    140.307     
1 1 1 11 15 40 o 28.3019 5.42781 5.24562      2.28065  5.62718      2.57103  15.5052     352.441     15.8226     172.441     
1 1 1 11 15 41 o 14.6462 4.52112 -1.08899     2.08705  1.02875      1.91347  4.28474     206.639     3.37464     26.6389     
1 1 1 11 15 42 o 18.6455 5.30915 1.89537      2.2064   1.95696      2.47711  11.8856     329.942     3.75176     329.942     
1 1 1 11 15 43 o 21.4943 5.64983 2.96942      2.15791  3.60302      2.84559  18.6065     225.5       7.72494     225.5       
1 1 1 11 15 44 o 21.9883 5.64206 3.65077      2.36701  3.43903      2.57485  18.0447     311.94      8.77304     311.94      
1 1 1 11 15 45 o 17.4669 4.99071 -0.148719    2.04256  3.2903       2.34283  6.57265     144.856     13.013      324.856     
1 1 1 11 15 46 o 20.2162 5.25566 3.34365      2.156    2.73235      2.15477  17.3781     200.763     8.98714     200.763     
1 1 1 11 15 47 o 35.023  4.60256 8.03261      2.357    9.20884      2.42311  31.1843     211.494     3.01457     211.494     
1 1 1 11 15 48 o 15.4771 4.77731 1.14357      2.07441  0.876533     2.23287  3.68001     318.998     1.41564     318.998     
1 1 1 11 15 49 o 19.6033 5.25635 4.07537      2.20949  1.94015      2.35079  13.0132     114.029     3.43808     294.029     
1 1 1 11 15 50 o 15.4419 4.80795 1.82376      2.18293  0.0967456    2.36611  6.89797     329.714     0.490179    329.714     
1 1 1 11 15 51 o 15.2448 4.80079 1.3926       2.19293  0.40414      2.40817  0.919601    265.358     0.349436    85.358      
1 1 1 11 15 52 o 20.879  5.67613 4.69417      2.77018  3.65049      2.36364  13.9301     313.906     3.6465      313.906     
1 1 1 11 15 53 o 18.1654 5.29417 1.47935      2.47278  4.55983      2.5283   12.1463     104.21      1.37353     104.21      
1 1 1 11 15 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 16 0  o 9.62575 4.53721 -0.581916    1.82479  -0.581916    1.82479  31.0171     270         65.6277     270         
1 1 1 11 16 1  o 49.4711 3.33573 14.2039      2.50493  12.854       2.50998  31.2364     49.3223     1.59029     49.3223     
1 1 1 11 16 2  o 150.777 2.22106 130.245      5.16304  118.077      5.14233  168.006     215.001     62.2319     215.001     
1 1 1 11 16 3  o 112.845 2.19913 65.9616      3.81543  73.2453      3.81192  136.889     318.541     76.0885     318.541     
1 1 1 11 16 4  o 126.407 2.23474 93.2709      4.52939  81.4305      4.16894  107.537     106.072     14.3834     286.072     
1 1 1 11 16 5  o 137.939 2.37445 103.331      5.23704  104.542      4.83493  127.853     323.276     4.59875     323.276     
1 1 1 11 16 6  o 322.684 2.14299 581.188      9.79146  555.58       11.4032  332.372     126.961     66.5505     126.961     
1 1 1 11 16 7  o 167.531 2.23708 151.248      5.31131  155.231      6.20686  178.215     243.141     49.7604     243.141     
1 1 1 11 16 8  o 19.3611 4.88294 2.44527      1.87606  0.944115     1.88714  25.4121     322.303     70.0214     322.303     
1 1 1 11 16 9  o 44.7305 3.30205 10.7897      2.24077  11.3793      2.23968  26.4542     56.668      13.2784     236.668     
1 1 1 11 16 10 o 142.135 2.08441 107.516      4.55563  113.111      4.56685  138.936     354.28      18.2576     354.28      
1 1 1 11 16 11 o 160.753 2.0503  138.078      5.07001  144.134      5.07914  141.401     245.752     12.5044     65.7522     
1 1 1 11 16 12 o 44.0403 3.26596 10.5772      2.18723  10.9312      2.17591  18.3079     116.694     35.3088     296.694     
1 1 1 11 16 13 o 98.9959 2.25711 51.0694      3.43915  56.2251      3.42674  97.6251     258.277     17.8659     258.277     
1 1 1 11 16 14 o 88.6547 2.49309 39.6992      3.35018  46.5837      3.43274  62.6245     194.869     33.8723     14.8688     
1 1 1 11 16 15 f 17.4758 4.92137 2.53982      2.60465  -0.741223    1.49355  22.4304     198.74      0           0           
1 1 1 11 16 16 f 129.387 2.45629 102.809      5.44217  81.283       4.35339  119.597     111.146     0           0           
1 1 1 11 16 17 o 65.785  2.55706 23.8907      2.57487  23.6886      2.5858   44.1434     168.667     25.9831     348.667     
1 1 1 11 16 18 o 43.4009 3.10939 9.9144       2.04608  11.0373      2.04735  31.1841     225.862     1.69411     45.8624     
1 1 1 11 16 19 o 54.1229 2.86772 18.2141      2.38024  14.2928      2.34083  38.141      287.312     15.3136     107.312     
1 1 1 11 16 20 o 53.2958 2.83721 15.7268      2.32959  15.701       2.29307  20.0846     355.259     52.6554     175.259     
1 1 1 11 16 21 o 65.0633 2.548   23.3977      2.61501  23.2728      2.46888  60.2826     316.909     7.34226     316.909     
1 1 1 11 16 22 o 81.6013 2.26216 37.7243      2.83565  35.509       2.8364   61.5733     315.591     23.3332     135.591     
1 1 1 11 16 23 o 9.78953 3.23708 -2.47535     1.25355  -0.473428    1.25953  14.9558     233.178     36.3821     233.178     
1 1 1 11 16 24 o 31.5475 3.96116 5.69491      1.86456  5.78554      1.84286  25.2987     95.1145     3.87718     95.1145     
1 1 1 11 16 25 o 64.4433 2.52695 22.4532      2.5137   23.5513      2.47976  66.4745     345.902     18.6289     345.902     
1 1 1 11 16 26 o 29.7217 4.41013 3.38415      1.96417  7.22834      1.98313  16.0801     126.685     16.4226     306.685     
1 1 1 11 16 27 o 25.0788 4.79049 3.20841      1.91001  4.29495      1.90176  8.19391     269.112     58.5641     269.112     
1 1 1 11 16 28 o 45.6515 3.03856 10.8373      2.09862  12.6775      2.11241  39.1891     193.42      0.784639    13.4202     
1 1 1 11 16 29 o 33.6781 4.15209 7.0166       2.02524  6.31875      2.11699  27.0121     0.00813008  1.49504     180.008     
1 1 1 11 16 30 f 25.9062 4.54895 5.27112      1.78366  2.80622      1.93587  30.6656     53.793      0           0           
1 1 1 11 16 31 o 81.8007 2.45598 37.2107      3.0817   37.3182      3.09151  67.8659     85.939      10.8793     265.939     
1 1 1 11 16 32 o 15.093  4.43681 0.663605     1.69239  0.340942     1.7141   4.16296     104.295     6.35452     284.295     
1 1 1 11 16 33 o 23.9114 5.12712 3.44778      2.16382  3.59943      1.94753  12.627      85.3764     14.1287     265.376     
1 1 1 11 16 34 o 34.1732 4.75011 11.7166      2.65059  3.55287      2.26592  22.1908     37.54       14.2541     217.54      
1 1 1 11 16 35 o 29.5719 4.88907 4.20077      2.06485  6.96311      2.35217  20.9208     130.03      6.98498     310.03      
1 1 1 11 16 36 o 29.0363 4.98319 5.18866      2.10294  5.60285      2.30823  28.3141     262.982     14.322      262.982     
1 1 1 11 16 37 o 16.4724 4.80225 1.24013      1.90516  0.501506     2.06516  4.95327     204.861     9.43647     24.8606     
1 1 1 11 16 38 o 22.4937 5.37068 2.50197      2.33874  3.91748      2.16863  12.0758     118.236     9.97968     298.236     
1 1 1 11 16 39 o 24.6441 5.48887 3.09173      2.20894  5.252        2.50673  10.7526     41.0475     18.3318     221.048     
1 1 1 11 16 40 f 48.4866 3.45611 14.0059      2.46674  14.275       2.62184  42.2186     200.757     0           0           
1 1 1 11 16 41 o 23.6083 5.47376 4.41446      2.26993  3.54353      2.35604  17.5308     132.293     2.12669     312.293     
1 1 1 11 16 42 o 17.7    5.021   2.53454      2.15188  0.749425     2.11648  11.9133     329.621     2.52071     329.621     
1 1 1 11 16 43 o 15.0162 4.68678 1.00251      2.23202  -0.305562    2.02812  6.36021     174.034     2.96369     354.034     
1 1 1 11 16 44 o 13.7053 4.53688 -1.26944     2.54122  -0.721825    2.25926  2.93813     175.807     12.2095     355.807     
1 1 1 11 16 45 o 12.9887 4.29257 -0.00831279  2.24074  -1.77767     2.0211   4.61153     86.2744     0.0124642   266.275     
1 1 1 11 16 46 o 15.5133 4.8146  1.57134      2.23449  0.011799     2.24701  7.26324     277.093     7.94987     97.093      
1 1 1 11 16 47 o 16.1679 4.96642 1.20377      2.27224  1.4083       2.32629  9.70831     43.6184     0.656204    223.618     
1 1 1 11 16 48 o 14.6272 4.62941 0.110022     2.12991  1.0577       2.17451  7.18717     134.714     0.411376    314.714     
1 1 1 11 16 49 o 14.2773 4.58383 0.11594      2.14841  0.652793     2.23315  2.43682     113.168     0.00497817  113.169     
1 1 1 11 16 50 o 14.0836 4.41911 2.38993      2.14223  -3.49576     2.21544  1.79316     191.246     2.18808     11.2458     
1 1 1 11 16 51 o 11.0387 3.8074  -1.69588     2.05918  -2.76174     2.17541  0.0623038   214.898     1.96103     34.898      
1 1 1 11 16 52 o 11.8869 4.04894 -0.530631    2.15784  -2.05489     2.27679  2.56887     265.451     4.87556     85.4505     
1 1 1 11 16 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 17 0  o 178.555 2.03712 173.949      5.59788  173.949      5.59788  204.359     90          78.4181     90          
1 1 1 11 17 1  o 115.473 2.4372  77.9557      4.169    68.0986      4.44962  100.457     46.3938     7.89183     226.394     
1 1 1 11 17 2  o 65.5327 3.1639  22.63        2.87632  24.6804      3.4638   63.7062     102.674     18.0465     102.674     
1 1 1 11 17 3  o 108.308 2.41602 70.6871      4.00544  57.9841      4.0125   129.567     51.3304     66.9272     51.3304     
1 1 1 11 17 4  o 74.4168 2.75041 32.0201      3.15038  28.7971      3.12564  56.5695     239.618     17.7786     59.6175     
1 1 1 11 17 5  o 137.277 2.27697 106.107      4.82537  99.8801      4.79873  135.076     14.5783     20.6503     14.5783     
1 1 1 11 17 6  o 74.494  2.4899  29.9331      2.85608  30.8983      2.83934  76.6874     299.272     25.5827     299.272     
1 1 1 11 17 7  f 27.6419 4.56704 5.82075      1.94688  3.02045      1.94393  75.4958     87.8439     0           0           
1 1 1 11 17 8  o 41.9012 3.50226 7.70059      2.17228  12.109       2.14435  19.2737     298.711     27.0784     118.711     
1 1 1 11 17 9  o 49.091  2.99757 13.6159      2.2424   13.0096      2.24418  42.1867     62.155      17.8495     62.155      
1 1 1 11 17 10 o 34.4846 3.83429 6.19182      1.96961  7.24143      1.95842  12.2978     245.312     2.37461     65.3117     
1 1 1 11 17 11 o 104.44  2.41745 60.8448      4.24989  58.6797      3.48995  114.847     344.927     44.2935     344.927     
1 1 1 11 17 12 o 111.468 2.25363 65.7091      4.0308   70.3794      3.67331  105.399     288.759     10.7574     288.759     
1 1 1 11 17 13 o 56.681  2.91041 16.3714      2.5091   19.1433      2.5253   31.6752     230.19      32.9238     50.1896     
1 1 1 11 17 14 o 156.463 2.09023 130.253      5.03678  137.611      5.03246  149.267     219.951     14.3038     219.951     
1 1 1 11 17 15 o 66.7771 2.51498 22.7295      2.47234  26.382       2.68183  33.1427     294.18      51.0295     114.18      
1 1 1 11 17 16 o 51.8655 2.66022 14.3443      2.11589  15.3606      2.10188  37.5223     164.14      11.2879     344.14      
1 1 1 11 17 17 o 28.9927 3.9857  3.48474      1.68434  6.31818      1.73534  9.90869     278.299     13.1391     98.2992     
1 1 1 11 17 18 o 55.0039 2.71451 16.7408      2.28634  16.7084      2.28318  28.3201     40.2905     38.9547     220.29      
1 1 1 11 17 19 o 49.4126 2.83657 13.6962      2.13829  13.3985      2.14105  29.8995     209.382     24.9239     29.3816     
1 1 1 11 17 20 o 26.3594 4.08635 4.47249      1.62106  3.61113      1.60838  9.08881     119.005     0.241213    299.006     
1 1 1 11 17 21 o 61.9745 2.55317 21.0274      2.43025  21.4548      2.42153  71.028      298.957     35.3515     298.957     
1 1 1 11 17 22 f 38.2249 3.22794 9.43851      1.84619  7.11246      1.84228  48.7771     88.0522     0           0           
1 1 1 11 17 23 f 92.9334 2.23967 48.7536      3.20436  46.49        3.19532  99.7357     243.305     0           0           
1 1 1 11 17 24 o 48.1227 2.87759 12.5536      2.14791  13.3533      2.07155  40.2885     32.3093     3.06851     212.309     
1 1 1 11 17 25 o 15.9672 4.34828 0.235077     1.61902  1.58178      1.50017  0.942924    73.0173     3.06253     253.017     
1 1 1 11 17 26 o 43.0619 3.59217 13.183       2.2393   8.27536      2.29137  41.9854     327.611     11.1864     327.611     
1 1 1 11 17 27 o 64.7921 2.50463 24.225       2.49826  22.5274      2.47864  74.8284     164.872     36.1782     164.872     
1 1 1 11 17 28 o 29.9438 4.13397 5.74555      1.85642  4.87958      1.81842  17.9498     28.0486     13.2493     208.049     
1 1 1 11 17 29 o 31.776  4.1758  7.14232      1.99379  4.91328      1.92877  21.0517     209.963     10.8184     29.9629     
1 1 1 11 17 30 o 40.1965 3.48078 9.72551      2.13464  8.90718      2.08296  27.8369     135.956     14.051      315.956     
1 1 1 11 17 31 o 58.4512 2.92967 17.2974      2.65889  21.4805      2.53683  43.8729     163.157     15.8913     343.157     
1 1 1 11 17 32 o 56.7982 2.91438 18.9168      2.54362  17.748       2.51831  55.805      75.968      11.7128     75.968      
1 1 1 11 17 33 o 15.1733 4.37467 1.80479      1.75569  -1.37214     1.79736  0.429284    33.9542     22.3911     33.9542     
1 1 1 11 17 34 o 15.9229 4.5555  -0.151005    1.78199  1.69108      1.80649  3.97284     186.586     2.42562     6.58582     
1 1 1 11 17 35 o 79.3141 2.54288 36.0426      3.18895  35.0789      3.00549  79.7779     210.533     19.847      210.533     
1 1 1 11 17 36 o 44.3381 4.24614 12.4594      2.73109  11.5247      2.89883  40.9483     227.223     6.41407     227.223     
1 1 1 11 17 37 o 25.9513 5.60611 2.37555      2.25198  7.00425      2.89201  16.4363     234.433     10.8555     234.433     
1 1 1 11 17 38 o 17.7686 4.98004 2.76363      2.11372  -0.268055    2.24945  8.69757     138.204     0.324074    318.204     
1 1 1 11 17 39 o 47.1564 3.65625 13.5437      2.56774  13.6098      2.65433  52.1095     176.789     23.7576     176.789     
1 1 1 11 17 40 o 22.9513 5.60059 3.69928      2.45132  3.93055      2.35999  18.6661     264.707     2.22893     264.707     
1 1 1 11 17 41 o 17.2668 5.01424 0.9244       2.17805  2.01001      2.1388   10.1589     209.804     2.80358     29.8035     
1 1 1 11 17 42 o 20.4897 5.38609 3.24743      2.33099  2.7107       2.20693  12.1561     89.7335     6.15079     269.734     
1 1 1 11 17 43 o 19.7013 5.50277 3.89001      2.39362  0.720654     3.0148   14.6117     162.93      2.26202     162.93      
1 1 1 11 17 44 o 13.6222 4.40095 -0.764537    1.99625  0.311074     2.13089  7.19249     74.7892     0.20243     254.789     
1 1 1 11 17 45 o 16.4132 4.91816 1.76203      2.13492  1.11611      2.18803  10.8334     170.825     1.39264     170.825     
1 1 1 11 17 46 o 22.0549 5.35462 5.08763      2.25502  2.82326      2.31637  13.496      85.8499     7.6869      265.85      
1 1 1 11 17 47 o 14.1606 4.55329 0.3227       2.14823  0.255259     2.19526  6.50944     339.966     3.0497      159.966     
1 1 1 11 17 48 o 38.2257 4.56482 9.67296      2.56571  11.5976      2.6019   41.072      187.083     19.9364     187.083     
1 1 1 11 17 49 o 21.6374 5.51514 5.8496       2.58504  2.4809       2.31426  12.396      208.336     4.83736     208.336     
1 1 1 11 17 50 o 17.6221 5.24232 3.35738      2.29995  1.16484      2.83994  8.27378     167.572     0.148664    167.572     
1 1 1 11 17 51 o 18.338  5.35946 2.52128      2.4821   3.9702       2.49628  12.3133     113.054     3.35072     113.054     
1 1 1 11 17 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 18 0  o 71.5213 2.55119 28.1406      2.79335  28.1406      2.79335  78.4979     270         25.9639     270         
1 1 1 11 18 1  o 196.427 2.25764 202.554      6.51168  219.643      7.14843  204.834     159.948     52.4192     159.948     
1 1 1 11 18 2  o 19.1937 5.01231 2.54368      2.15442  0.575108     1.86303  6.34061     37.7756     21.792      37.7756     
1 1 1 11 18 3  o 182.485 2.2113  187.153      6.69786  177.122      5.71411  180.952     254.007     30.3654     254.007     
1 1 1 11 18 4  o 130.784 2.52589 92.2187      5.48464  95.2101      4.63047  146.629     123.428     59.051      123.428     
1 1 1 11 18 5  o 56.5304 3.09859 14.3526      2.60026  21.3042      2.68146  44.1413     254.864     4.51875     74.8636     
1 1 1 11 18 6  o 143.617 2.31697 105.495      5.47746  120.574      4.65893  125.178     119.341     9.23326     299.341     
1 1 1 11 18 7  o 15.4514 4.50329 -1.48861     2.16572  1.22977      1.6044   19.0504     253.665     48.9993     253.665     
1 1 1 11 18 8  o 129.585 2.1084  90.3111      4.20816  93.3909      4.20536  135.888     22.2145     39.5307     22.2145     
1 1 1 11 18 9  o 100.6   2.25825 53.583       3.58373  57.3635      3.39141  96.6704     110.391     15.0162     110.391     
1 1 1 11 18 10 o 43.0241 3.07884 10.4553      2.01942  10.1186      2.00386  29.6987     105.069     3.8173      285.069     
1 1 1 11 18 11 o 20.7435 5.16379 3.01257      2.49134  1.44503      1.61062  0.485303    310.244     2.99336     310.244     
1 1 1 11 18 12 o 60.9697 2.70347 20.6412      2.5427   20.359       2.50816  32.413      247.908     40.922      67.9078     
1 1 1 11 18 13 o 72.3175 2.47506 29.7088      2.75318  27.8409      2.74105  36.4208     300.15      55.0238     120.15      
1 1 1 11 18 14 o 50.6491 2.6925  13.6207      2.12416  14.7622      2.0373   34.968      72.1373     15.194      252.137     
1 1 1 11 18 15 o 90.4255 2.11304 45.3198      2.85782  44.4135      3.01468  70.5941     175.922     20.1267     355.922     
1 1 1 11 18 16 o 134.502 2.72377 102.143      5.63797  97.403       5.63092  125.181     344.546     7.86027     344.546     
1 1 1 11 18 17 o 64.984  2.29061 22.7736      2.28521  23.7519      2.28385  53.5642     236.964     6.81005     56.9638     
1 1 1 11 18 18 o 66.9479 2.60362 20.6081      2.37984  29.3621      2.97717  66.2192     353.912     15.1894     353.912     
1 1 1 11 18 19 o 143.695 2.34464 122.194      5.48843  105.511      4.89338  134.715     26.6241     10.0144     26.6241     
1 1 1 11 18 20 o 86.9742 2.20754 53.6434      3.28644  31.2333      2.60055  80.3126     297.204     5.12167     297.204     
1 1 1 11 18 21 o 49.6027 3.21957 12.8335      2.35766  14.8752      2.504    41.2923     109.936     3.44491     289.936     
1 1 1 11 18 22 o 44.1626 3.3925  8.60537      1.95797  13.7966      2.59021  41.2821     55.0135     7.72043     55.0135     
1 1 1 11 18 23 o 42.9475 4.85465 9.09572      1.95303  12.8776      4.12064  34.8971     39.3235     3.21806     219.324     
1 1 1 11 18 24 o 89.5675 2.29717 38.1647      3.05847  51.1284      3.23969  73.7211     36.0343     12.4214     216.034     
1 1 1 11 18 25 o 19.3985 4.7331  2.25879      1.75272  1.86106      1.68346  6.93248     16.2553     2.81384     196.255     
1 1 1 11 18 26 o 63.5445 2.75458 26.163       2.50555  19.3028      2.75813  50.1398     150.336     11.776      330.336     
1 1 1 11 18 27 o 25.6613 4.47869 2.20339      1.80954  5.83304      1.89291  1.80461     63.6476     39.0438     243.648     
1 1 1 11 18 28 o 14.7832 4.1611  1.78605      1.56513  -1.49671     1.66612  1.50405     123.441     1.34158     303.441     
1 1 1 11 18 29 o 22.1492 4.62551 4.10796      1.77867  1.74194      1.75924  18.0511     224.894     5.58173     224.894     
1 1 1 11 18 30 o 31.6761 4.27011 5.37232      2.00107  6.78747      2.00646  25.5301     191.296     1.95036     11.2963     
1 1 1 11 18 31 o 39.3694 3.69115 9.39375      2.16703  8.85668      2.1949   30.7025     85.8145     6.00133     265.814     
1 1 1 11 18 32 o 14.407  4.41441 0.330423     1.75487  -0.149472    1.87165  1.55318     16.5815     12.822      196.581     
1 1 1 11 18 33 o 19.2517 4.68191 3.71785      1.89244  -0.25552     1.98673  10.0378     135.821     4.02036     315.821     
1 1 1 11 18 34 o 46.5942 3.45948 11.4892      2.45775  14.0534      2.39733  47.5554     355.193     16.0905     355.193     
1 1 1 11 18 35 o 30.1766 4.73797 7.55893      2.21272  4.26607      2.12911  17.2084     311.677     15.3598     131.678     
1 1 1 11 18 36 o 18.9411 5.24274 0.480574     2.28556  3.06719      2.34503  9.66675     101.085     5.68769     281.085     
1 1 1 11 18 37 o 14.9428 4.60218 -0.569466    1.94304  1.05148      2.08132  4.19345     55.4091     1.72276     235.409     
1 1 1 11 18 38 o 24.6001 5.22138 5.86906      2.31776  2.67042      2.15461  22.9178     191.46      9.84496     191.46      
1 1 1 11 18 39 o 19.1959 5.46046 0.683267     2.49573  3.46028      2.6218   11.7694     341.832     4.83774     161.832     
1 1 1 11 18 40 o 16.6698 4.78112 -1.87708     2.07406  3.30086      2.27912  6.77337     315.414     1.88067     315.414     
1 1 1 11 18 41 o 15.2373 4.76586 1.83964      2.38807  -1.5851      2.20458  6.27005     290.415     1.71244     110.415     
1 1 1 11 18 42 o 14.7469 4.76459 0.339395     2.46466  -0.513522    2.36915  7.07934     126.504     4.43192     306.504     
1 1 1 11 18 43 o 27.6505 5.46148 5.6403       2.4545   6.35956      2.38961  15.3553     254.351     15.1228     74.3513     
1 1 1 11 18 44 o 16.0896 4.88173 1.67318      2.15968  0.88468      2.19901  9.68532     104.495     1.31438     284.495     
1 1 1 11 18 45 o 18.2084 4.97895 4.06537      2.17644  0.00556014   2.28946  10.4465     251.527     5.85766     71.5266     
1 1 1 11 18 46 o 15.1352 4.73965 1.19497      2.15504  0.626288     2.23292  7.20844     231.798     5.29181     51.7981     
1 1 1 11 18 47 o 13.6806 4.50693 -1.83828     2.26423  0.994915     2.4303   2.78868     319.979     2.26501     139.979     
1 1 1 11 18 48 o 13.7776 4.53799 -0.432089    2.18219  0.171709     2.49458  1.58654     310.012     5.6688      130.012     
1 1 1 11 18 49 o 22.9781 5.60263 6.40621      2.43073  3.6421       2.7538   15.4038     271.074     2.83232     91.0743     
1 1 1 11 18 50 o 15.2563 4.79967 0.577335     2.27503  2.26162      2.31659  7.73719     48.8074     0.139727    48.8074     
1 1 1 11 18 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 19 0  o 13.475  5.34552 1.35786      1.67264  1.35786      1.67264  34.1347     90          83.0166     90          
1 1 1 11 19 1  o 88.8189 2.56653 43.4674      3.68427  43.2486      3.31199  99.0686     11.9042     44.4609     11.9042     
1 1 1 11 19 2  o 104.049 2.68241 56.6473      4.63265  62.4772      3.8655   95.9276     357.185     7.32647     357.185     
1 1 1 11 19 3  o 41.2355 3.66541 12.5745      2.51472  6.94145      1.99872  27.8548     96.6562     4.26914     276.656     
1 1 1 11 19 4  o 107.434 2.36983 65.1067      3.93349  61.5875      3.89671  117.885     334.546     46.0905     334.546     
1 1 1 11 19 5  o 119.893 2.24509 79.153       3.97906  78.4642      4.29575  92.2453     298.807     30.2843     118.807     
1 1 1 11 19 6  o 72.7701 2.39707 27.497       2.67102  30.7574      2.68033  76.7973     148.301     29.7967     148.301     
1 1 1 11 19 7  o 57.1578 2.72799 17.764       2.4938   18.3213      2.27017  38.6741     21.6089     19.9308     201.609     
1 1 1 11 19 8  o 46.7855 3.17485 10.79        2.36599  13.67        2.07012  29.8872     181.072     17.1248     1.07218     
1 1 1 11 19 9  o 92.0054 2.452   47.2479      3.58193  45.8569      3.35249  90.1448     60.6497     18.0066     60.6497     
1 1 1 11 19 10 o 19.9607 4.45662 2.19787      1.5384   2.23046      1.52585  11.2951     13.595      47.9085     13.595      
1 1 1 11 19 11 o 45.5958 2.9415  12.0622      2.05782  11.079       2.02548  33.9932     233.128     6.95267     53.1279     
1 1 1 11 19 12 o 61.3674 2.3455  20.8938      2.21273  20.6088      2.20371  47.8524     351.73      10.6968     171.73      
1 1 1 11 19 13 o 112.042 2.01836 68.7301      3.32667  69.0013      3.62836  105.936     347.78      11.645      347.78      
1 1 1 11 19 14 o 46.1367 3.21759 7.82419      1.85431  16.891       2.62762  37.3034     127.796     2.97091     307.796     
1 1 1 11 19 15 o 89.1669 2.88436 34.8055      3.4987   54.5012      4.40268  80.8009     330.445     2.97914     330.445     
1 1 1 11 19 16 o 45.1767 4.13136 14.9557      2.85229  8.80932      2.63797  33.8375     351.394     9.70127     171.394     
1 1 1 11 19 17 o 36.3713 4.55972 6.41292      2.44647  9.16698      2.43886  20.8577     135.357     19.2941     315.357     
1 1 1 11 19 18 o 57.1074 3.36371 16.411       2.88307  20.4117      2.95701  43.5591     120.528     12.8115     300.528     
1 1 1 11 19 19 o 16.6549 4.75659 -1.2405      1.99859  2.00814      2.07066  1.37894     186.865     13.3203     6.86509     
1 1 1 11 19 20 o 116.997 2.57902 74.5458      4.61802  77.3608      4.66296  130.197     92.6805     51.9754     92.6805     
1 1 1 11 19 21 o 16.4365 4.96122 -0.365413    2.14525  0.775919     2.31569  1.62142     134.96      23.7051     134.96      
1 1 1 11 19 22 o 23.3499 5.72475 2.23616      2.70089  3.79376      2.43038  4.56968     308.358     26.9834     128.358     
1 1 1 11 19 23 o 115.169 2.72003 79.7625      5.04001  68.5037      4.5969   116.228     56.5992     27.7069     56.5992     
1 1 1 11 19 24 o 55.1476 3.92857 14.3339      3.38053  21.0652      2.95456  43.9965     59.0604     7.92573     239.06      
1 1 1 11 19 25 o 30.721  5.91149 6.46715      2.89055  5.49488      2.86257  19.7005     316.186     10.6625     136.186     
1 1 1 11 19 26 o 64.0325 3.21585 21.9504      3.14693  24.7092      3.14364  66.6127     336.244     21.2733     336.244     
1 1 1 11 19 27 o 36.969  4.39707 9.12068      2.22841  7.30439      2.5374   27.3246     156.331     8.60713     336.331     
1 1 1 11 19 28 o 16.0229 4.78008 0.766272     1.92934  0.230707     2.12565  5.43904     148.439     1.07836     328.439     
1 1 1 11 19 29 o 18.5576 4.9879  1.3287       1.78443  2.18082      2.1541   9.68183     221.688     2.78051     41.6881     
1 1 1 11 19 30 o 16.8298 4.77993 1.05187      1.69861  1.2335       2.0826   5.96664     216.962     4.47225     36.962      
1 1 1 11 19 31 o 29.3452 4.54803 3.8904       2.02394  7.00635      2.0188   18.7648     188.692     10.1532     8.69187     
1 1 1 11 19 32 o 53.6687 3.17586 13.5816      2.53562  20.0691      2.58384  46.3145     128.617     0.281775    128.617     
1 1 1 11 19 33 o 48.0955 3.24418 13.4486      2.36625  13.6054      2.38099  40.4418     83.3659     1.2907      263.366     
1 1 1 11 19 34 o 44.111  4.0463  13.6011      2.73702  10.3703      2.59925  30.795      291.394     13.6493     111.394     
1 1 1 11 19 35 o 57.9958 3.51852 17.9238      3.08072  22.5965      3.10396  65.2111     237.086     31.3343     237.086     
1 1 1 11 19 36 o 33.3334 5.11889 7.4158       2.39137  7.74989      2.71211  22.0029     223.882     11.6992     43.8819     
1 1 1 11 19 37 o 39.5839 4.67052 12.8569      2.64162  8.07176      2.7221   33.384      152.661     0.245874    332.661     
1 1 1 11 19 38 o 17.0079 5.00054 1.0877       2.13073  1.65329      2.19739  7.78283     14.0827     8.48237     194.083     
1 1 1 11 19 39 o 29.4398 5.26107 6.48506      2.36162  6.07483      2.41337  26.8448     194.73      7.32745     194.73      
1 1 1 11 19 40 o 25.3105 5.66833 5.84673      2.65408  4.25351      2.31343  14.7328     56.0206     11.152      236.021     
1 1 1 11 19 41 o 22.947  6.06394 4.94129      2.85401  4.01432      2.94586  18.8644     170.604     2.73937     170.604     
1 1 1 11 19 42 o 17.2833 5.24626 1.11689      2.13613  2.45163      2.84559  11.2876     34.4479     1.1318      214.448     
1 1 1 11 19 43 o 15.4671 4.82251 0.262693     2.13314  1.57109      2.35792  8.16617     116.065     0.576804    116.065     
1 1 1 11 19 44 o 17.2347 5.11224 2.90053      2.31835  0.806539     2.39895  10.5936     90.1666     1.81822     270.167     
1 1 1 11 19 45 o 11.8842 4.03303 -2.22369     2.09277  -0.863567    2.17841  0.659447    247.975     0.483453    67.9755     
1 1 1 11 19 46 o 12.4079 4.17938 -1.77493     2.15053  -0.542286    2.25442  0.881068    347.858     8.41331     167.858     
1 1 1 11 19 47 o 22.8233 5.61776 5.02891      2.39104  4.47191      2.46762  16.1222     41.2813     3.39306     41.2813     
1 1 1 11 19 48 f 12.6614 4.2606  -1.54279     2.2961   0.0125435    2.28543  6.11685     190.405     0           0           
1 1 1 11 19 49 o 15.9157 4.91615 2.98425      2.33753  0.412475     2.38771  9.52543     173.463     1.27831     173.463     
1 1 1 11 20 0  o 18.8493 5.6724  2.79796      1.67286  2.79796      1.67286  1.7937      270         19.5964     270         
1 1 1 11 20 1  o 34.7352 3.83613 7.91198      1.98242  5.90548      1.95874  16.8609     273.334     20.2838     93.3338     
1 1 1 11 20 2  o 120.987 2.28051 78.4152      4.23766  82.4682      4.25048  119.563     155.049     23.879      155.049     
1 1 1 11 20 3  o 27.5082 4.66643 5.77542      1.96738  3.12017      2.01646  10.1784     328.572     15.8328     148.572     
1 1 1 11 20 4  o 82.2138 2.50296 41.5729      3.17577  33.1723      3.12139  82.6364     334.649     21.5657     334.649     
1 1 1 11 20 5  f 66.7133 2.59066 24.0501      2.51741  25.124       2.78292  69.2712     77.985      0           0           
1 1 1 11 20 6  o 57.2459 2.57244 19.3108      2.24992  16.9699      2.25391  50.8624     26.1485     4.14675     26.1485     
1 1 1 11 20 7  o 36.9888 3.71698 6.92311      2.10507  8.67621      1.96348  31.3526     18.2434     8.01239     18.2434     
1 1 1 11 20 8  o 54.6417 2.83739 18.4019      2.37472  14.8678      2.3472   30.3743     12.908      34.0398     192.908     
1 1 1 11 20 9  o 23.7869 4.26785 4.25109      1.60916  2.3845       1.58546  10.1579     87.5223     4.99487     267.522     
1 1 1 11 20 10 o 92.6563 2.15657 49.8736      3.22287  44.6715      2.92495  99.2233     251.25      34.7662     251.25      
1 1 1 11 20 11 o 61.1333 2.28456 22.5025      2.1429   18.8377      2.13068  58.9986     59.313      11.7801     59.313      
1 1 1 11 20 12 o 118.838 2.47232 79.9237      5.03105  76.1201      3.96551  112.413     183.329     13.0569     183.329     
1 1 1 11 20 13 o 23.6624 5.83765 2.77548      2.96078  3.25699      2.31813  5.41362     13.2587     24.6752     193.259     
1 1 1 11 20 14 o 46.6335 5.03092 12.1086      3.96665  13.4674      2.82901  48.1532     150.451     19.0501     150.451     
1 1 1 11 20 15 o 60.6847 3.64812 25.5542      3.76386  16.6464      2.99237  51.0911     119.51      3.48857     299.51      
1 1 1 11 20 16 o 75.3346 2.97924 33.43        3.45192  30.0599      3.42619  61.7895     244.141     9.03441     64.1415     
1 1 1 11 20 17 o 117.965 2.72532 71.909       5.11392  83.1284      4.71363  109.588     33.0354     9.73434     33.0354     
1 1 1 11 20 18 o 33.2538 4.99231 7.3839       2.54629  5.98742      2.41299  21.7545     284.548     10.5767     104.548     
1 1 1 11 20 19 o 23.953  5.41856 4.06404      2.29243  2.72268      2.27398  10.5157     352.234     14.3858     172.234     
1 1 1 11 20 20 o 70.0039 3.06871 25.351       3.25596  29.9243      3.31341  65.4838     356.335     8.69484     356.335     
1 1 1 11 20 21 o 21.3373 5.259   4.00347      2.29215  0.501793     2.31136  10.5732     4.20884     0.748308    184.209     
1 1 1 11 20 22 o 56.4829 3.58542 18.046       3.195    18.5189      2.96576  60.8837     122.696     24.8534     122.696     
1 1 1 11 20 23 o 24.8743 6.15899 3.59353      3.05097  3.7836       2.78104  19.3135     359.354     6.37927     359.354     
1 1 1 11 20 24 o 69.1787 3.77724 31.1915      4.21356  24.3784      3.76735  72.4974     44.7507     24.2836     44.7507     
1 1 1 11 20 25 o 20.3891 5.75756 1.43182      2.30178  2.36312      3.13717  12.6593     64.5818     3.24786     244.582     
1 1 1 11 20 26 o 66.0128 3.36463 21.316       3.2413   29.1816      3.52382  63.147      71.7497     11.4179     71.7497     
1 1 1 11 20 27 f 29.1262 5.40613 6.30012      2.43828  4.67295      2.51632  8.81335     312.159     0           0           
1 1 1 11 20 28 o 45.3583 4.13644 11.7527      2.80585  13.0167      2.83155  34.9518     132.63      7.32013     312.63      
1 1 1 11 20 29 o 21.995  5.54721 3.63341      2.3234   2.1265       2.52001  8.41384     117.47      3.8197      117.47      
1 1 1 11 20 30 f 40.2484 4.84086 9.48229      2.86307  10.8981      2.91693  42.3901     296.076     0           0           
1 1 1 11 20 31 o 14.7709 4.68913 0.426752     2.238    -1.55003     2.28657  2.74839     262.475     7.01192     82.4751     
1 1 1 11 20 32 o 16.6206 4.55984 3.36002      2.16515  -2.27969     1.78943  5.2713      316.616     10.5495     136.616     
1 1 1 11 20 33 o 14.397  4.58274 -1.08634     2.07349  0.380454     2.22388  2.87885     24.4306     2.5568      204.431     
1 1 1 11 20 34 o 17.6126 5.12401 1.79281      2.433    1.19958      2.0326   9.82874     132.599     0.251878    312.599     
1 1 1 11 20 35 o 37.2223 4.36512 7.79917      2.38207  10.2402      2.41695  27.631      356.875     7.41551     176.875     
1 1 1 11 20 36 o 36.6124 5.23688 8.31971      3.03137  10.4309      2.64633  29.5607     104.576     1.8306      284.576     
1 1 1 11 20 37 o 22.1943 5.43674 3.17314      2.20338  4.07042      2.33878  13.658      312.601     6.31865     132.601     
1 1 1 11 20 38 o 32.7871 4.99716 6.25214      2.42372  9.09109      2.49487  16.8196     194.062     20.8304     14.0625     
1 1 1 11 20 39 o 45.8743 3.85951 15.8588      2.59469  11.4246      2.64404  41.7234     359.842     6.02943     359.842     
1 1 1 11 20 40 o 15.3222 4.81963 0.98251      2.41934  0.33258      2.14573  3.19824     267.423     16.6522     87.4229     
1 1 1 11 20 41 o 13.6875 4.50505 -0.565186    2.11078  -0.333527    2.48646  2.08597     230.496     0.249998    230.496     
1 1 1 11 20 42 f 24.451  5.56017 5.49304      2.35927  4.56758      2.42707  15.597      200.446     0           0           
1 1 1 11 20 43 o 20.5479 5.58518 3.3873       2.62683  3.97501      2.39024  9.77121     224.684     11.9449     44.6838     
1 1 1 11 20 44 o 13.919  4.58832 -1.25649     2.35708  0.709953     2.48499  1.76909     300.216     0.644509    120.216     
1 1 1 11 20 45 o 15.6477 4.85027 -0.781081    2.27148  2.70446      2.40483  1.3019      223.83      0.612558    43.8303     
1 1 1 11 20 46 f 13.3405 4.42961 -0.406571    2.26685  -0.313312    2.35712  7.29817     77.271      0           0           
1 1 1 11 20 47 o 20.7597 5.5285  1.90845      2.52443  6.71986      2.71897  14.681      206.151     0.731713    206.151     
1 1 1 11 20 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 21 0  o 39.7174 3.30974 9.03715      1.95054  9.03715      1.95054  50.1531     90          32.9825     90          
1 1 1 11 21 1  o 65.8731 2.64048 27.1059      2.66216  21.1998      2.64256  68.5685     244.122     23.1919     244.122     
1 1 1 11 21 2  o 45.251  3.16124 12.0759      2.15931  10.9375      2.18225  35.4487     342.174     5.69236     162.174     
1 1 1 11 21 3  o 40.9166 3.38321 10.8959      2.21959  8.13792      1.9572   31.8869     340.471     4.43125     160.471     
1 1 1 11 21 4  o 74.0071 2.78807 29.5784      3.29871  31.2938      3.01527  75.3198     9.40645     21.5966     9.40645     
1 1 1 11 21 5  o 56.9999 2.7858  17.3958      2.42969  18.7954      2.42744  50.2984     28.2807     2.34587     28.2807     
1 1 1 11 21 6  o 44.7124 3.13266 13.0007      2.11885  9.59983      2.09624  38.3995     49.0292     1.68439     49.0291     
1 1 1 11 21 7  o 51.4105 2.9728  18.873       2.3001   11.189       2.24396  35.5932     269         17.3844     89.0004     
1 1 1 11 21 8  o 15.0672 4.07524 1.424        1.31197  0.188085     1.42357  5.41542     6.66065     28.9073     6.66065     
1 1 1 11 21 9  o 55.7893 2.6375  16.7599      2.08478  17.8792      2.41687  50.3282     116.486     4.78132     116.486     
1 1 1 11 21 10 o 72.4696 2.61135 33.6329      2.58557  25.0036      3.0723   59.6969     235.706     7.35688     55.7059     
1 1 1 11 21 11 o 82.6873 2.82858 37.9848      3.66869  38.2316      3.51063  75.2398     189.829     5.50016     189.829     
1 1 1 11 21 12 o 41.8173 4.31796 9.45516      2.70437  10.945       2.67632  45.5147     10.5106     25.3238     10.5106     
1 1 1 11 21 13 o 27.151  5.48019 5.40266      2.59828  3.63276      2.2383   19.6027     221.057     3.15484     221.057     
1 1 1 11 21 14 o 66.4245 3.25541 26.7671      3.45953  23.1007      3.16068  63.7238     132.967     12.3922     132.967     
1 1 1 11 21 15 o 51.895  3.59944 15.3199      2.91054  15.4554      2.76492  38.1257     7.91546     12.9135     187.915     
1 1 1 11 21 16 o 19.1157 5.06287 2.75181      2.09435  0.371074     2.12664  6.04959     278.485     3.32845     98.4847     
1 1 1 11 21 17 o 33.4209 4.82622 5.25616      2.38074  8.35988      2.42372  16.8873     283.325     21.3996     103.325     
1 1 1 11 21 18 o 20.2021 5.28436 4.03651      2.64226  -0.509202    2.11768  8.67162     128.525     8.01251     308.525     
1 1 1 11 21 19 o 77.4063 3.18896 33.468       4.00893  34.3585      3.53484  74.2073     147.654     13.486      147.654     
1 1 1 11 21 20 o 49.5981 5.08528 14.2322      4.24645  15.5494      3.07386  46.6072     259.159     8.73829     259.159     
1 1 1 11 21 21 o 25.4051 6.05752 1.78671      2.40353  6.36613      3.41255  13.1717     103.171     14.2031     283.171     
1 1 1 11 21 22 o 48.5933 4.26999 15.0777      3.00245  12.9992      3.20377  45.585      44.718      8.02932     44.718      
1 1 1 11 21 23 o 23.794  5.85751 5.05802      2.76833  1.45197      2.8321   10.4142     115.771     16.6759     295.771     
1 1 1 11 21 24 o 69.7033 3.44804 27.6781      3.40558  28.5699      3.93382  61.1287     190.056     1.49214     190.056     
1 1 1 11 21 25 o 37.2708 4.79764 6.87393      2.60373  10.5962      2.66143  40.8684     78.5207     23.5953     78.5207     
1 1 1 11 21 26 o 47.9279 3.94654 14.6643      2.87742  12.7935      2.82867  45.1617     304.682     9.5779      304.682     
1 1 1 11 21 27 o 14.8459 4.69869 -0.17067     2.18319  -0.614814    2.24071  2.09831     241.894     23.6953     241.894     
1 1 1 11 21 28 o 24.5296 5.58617 4.66444      2.40849  3.22315      2.44939  13.1275     114.36      10.8732     294.36      
1 1 1 11 21 29 o 27.3925 6.17227 4.60326      2.61696  6.03725      3.25063  20.7811     351.466     0.510374    351.466     
1 1 1 11 21 30 o 26.5246 5.83023 5.41747      2.63938  4.48007      2.64668  22.4226     182.645     12.4445     182.645     
1 1 1 11 21 31 o 28.698  5.76721 4.88179      2.68152  6.94481      2.72353  17.8751     153.819     10.2033     333.819     
1 1 1 11 21 32 o 41.3616 5.6023  12.8396      3.52886  11.1355      3.34903  41.8207     159.2       15.5148     159.2       
1 1 1 11 21 33 o 27.8862 5.78659 6.03816      2.63662  5.56205      2.66255  21.028      195.08      2.58914     15.0799     
1 1 1 11 21 34 f 17.7533 5.29042 1.4566       2.46638  1.5193       2.47071  8.98834     78.8053     0           0           
1 1 1 11 21 35 o 18.0071 5.64126 -0.076584    2.70911  2.53423      3.46111  10.1381     319.095     0.886053    139.095     
1 1 1 11 21 36 o 19.9287 5.54902 3.55854      2.43887  1.75548      2.7244   13.7517     165.713     3.67856     165.713     
1 1 1 11 21 37 o 15.1078 4.8559  0.451748     2.48041  -0.263805    2.46104  1.09107     72.8193     20.2491     252.819     
1 1 1 11 21 38 o 29.271  5.20857 9.02628      2.55035  4.24761      2.36839  20.7808     37.5265     6.19397     217.526     
1 1 1 11 21 39 o 15.5196 4.82396 0.420741     2.41065  1.24653      2.09151  8.00752     33.2523     1.82686     33.2523     
1 1 1 11 21 40 o 25.0174 5.8196  6.32284      2.62466  4.60578      2.64767  18.3358     58.1404     2.04058     238.14      
1 1 1 11 21 41 o 16.5484 4.9131  0.246815     2.17939  2.84804      2.22579  9.91391     209.263     0.553524    209.263     
1 1 1 11 21 42 o 12.6142 4.2127  -0.590777    2.11942  -1.13433     2.18073  2.15019     151.904     1.37532     331.904     
1 1 1 11 21 43 o 17.6365 5.20715 2.10453      2.31957  2.53273      2.39681  7.56529     262.808     0.427626    82.8078     
1 1 1 11 21 44 o 24.322  5.61502 6.12164      2.4221   4.53472      2.50613  18.3225     309.144     6.76384     309.144     
1 1 1 11 21 45 o 21.8948 5.59601 6.12336      2.45086  3.15728      2.8478   16.1043     8.98153     6.18218     8.98153     
1 1 1 11 21 46 o 18.8341 5.47194 1.72417      2.51394  5.34758      2.76779  12.9808     270.338     1.12325     270.338     
1 1 1 11 21 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 22 0  o 9.08846 4.28419 -0.452626    1.62733  -0.452626    1.62733  5.671       270         15.2246     270         
1 1 1 11 22 1  o 55.6762 2.82054 15.7439      2.38599  18.9976      2.40188  47.5786     8.3672      0.076012    188.367     
1 1 1 11 22 2  o 48.4408 3.22138 13.5371      2.45811  12.9706      2.29095  51.6148     4.60665     23.2174     4.60665     
1 1 1 11 22 3  o 18.7396 4.63118 3.04068      1.89303  0.477239     1.58618  0.983076    58.9197     23.1494     238.92      
1 1 1 11 22 4  o 72.0707 2.94877 36.1731      3.23024  22.719       3.15994  77.772      129.614     31.3999     129.614     
1 1 1 11 22 5  o 77.4366 2.5205  32.9798      2.99711  33.6534      2.99761  67.0882     38.1858     0.536189    218.186     
1 1 1 11 22 6  o 102.543 2.22617 57.6411      3.50682  58.6384      3.5152   100.149     294.725     20.8705     294.725     
1 1 1 11 22 7  o 13.5558 3.83975 -0.215296    1.27522  1.08309      1.25422  7.5699      91.2439     31.1434     91.2439     
1 1 1 11 22 8  o 81.3524 2.34416 37.5732      2.87122  35.8401      2.98437  70.981      30.3687     0.311882    30.3688     
1 1 1 11 22 9  o 25.5913 4.40993 4.10431      1.71464  3.74417      1.73078  10.8706     92.9391     17.5685     272.939     
1 1 1 11 22 10 o 19.2684 5.36308 -0.454693    2.89235  2.46515      2.14708  1.6714      72.8333     31.2899     72.8333     
1 1 1 11 22 11 o 42.6705 4.25173 9.8531       2.81635  11.4914      2.56645  45.143      28.582      21.6532     28.582      
1 1 1 11 22 12 o 48.5518 3.69895 13.6312      2.72379  13.4676      2.71994  42.6003     13.2722     3.32021     13.2722     
1 1 1 11 22 13 o 32.4235 4.95173 6.71078      2.41364  6.09165      2.38725  29.7437     104.359     10.8099     104.359     
1 1 1 11 22 14 o 20.4789 5.66536 1.74837      2.12736  2.04371      3.06258  9.76653     334.312     4.19115     154.312     
1 1 1 11 22 15 o 117.918 2.96769 77.3915      4.74367  79.0577      5.95208  109.453     42.6508     12.7527     42.6508     
1 1 1 11 22 16 o 28.882  5.61754 3.47953      2.47604  7.14718      2.82672  17.819      144.781     10.6647     324.781     
1 1 1 11 22 17 o 20.3026 5.40984 1.43986      2.19814  2.73898      2.43977  12.8386     340.107     1.47379     340.107     
1 1 1 11 22 18 o 47.695  4.25976 11.901       2.9365   15.1656      3.16539  34.3309     313.259     13.0533     133.259     
1 1 1 11 22 19 o 17.522  5.06113 0.661282     2.18171  1.40198      2.16211  2.12758     169.877     21.7862     349.877     
1 1 1 11 22 20 o 50.4142 4.11244 14.1185      3.11898  16.1044      3.13567  45.1128     125.177     4.54399     125.177     
1 1 1 11 22 21 o 14.7096 4.59057 -1.65594     2.08842  0.744215     2.11406  2.84448     226.338     8.42048     46.3381     
1 1 1 11 22 22 o 43.7933 4.77662 11.5761      3.23045  12.1687      2.98761  32.9269     235.861     7.61571     55.8607     
1 1 1 11 22 23 o 18.2095 5.53702 -0.958333    2.73222  2.00683      2.99822  6.71377     200.421     8.4145      20.4206     
1 1 1 11 22 24 o 28.5504 5.67098 5.30569      2.67782  5.55147      2.5193   24.6798     331.44      8.27353     331.44      
1 1 1 11 22 25 o 20.6385 5.66094 1.77655      2.8177   2.71733      2.39575  4.07729     90.3582     22.4908     270.358     
1 1 1 11 22 26 o 17.9175 5.37722 1.33149      2.83475  0.704785     2.31059  4.42101     146.249     15.0689     326.249     
1 1 1 11 22 27 o 41.1637 5.14085 10.3782      3.37595  11.7279      2.83534  23.9593     101.344     20.8616     281.344     
1 1 1 11 22 28 o 27.2019 5.80716 7.14748      2.77131  3.31657      2.80909  11.3756     201.744     20.7233     21.7445     
1 1 1 11 22 29 o 44.4535 4.86321 11.8575      3.24892  14.1059      3.15549  42.9328     182.943     12.2051     182.943     
1 1 1 11 22 30 o 20.8253 5.97273 0.832818     3.23321  4.06652      3.02246  11.9557     288.298     6.53076     108.298     
1 1 1 11 22 31 f 22.7616 5.66382 7.34749      3.14406  -1.47287     2.94774  15.7642     262.02      0           0           
1 1 1 11 22 32 o 14.6444 4.71347 -0.531678    2.34663  -0.0595761   2.32679  5.79577     58.0083     2.89699     238.008     
1 1 1 11 22 33 o 21.4964 5.80513 3.88064      2.64022  2.87074      2.75315  14.5685     105.78      7.00892     105.78      
1 1 1 11 22 34 o 44.7967 5.27766 13.103       3.57374  15.6163      3.39828  48.5169     218.443     23.9009     218.443     
1 1 1 11 22 35 o 25.5046 6.10116 6.47429      2.8727   4.5077       2.93629  23.8602     112.879     10.788      112.879     
1 1 1 11 22 36 o 45.7192 5.306   14.8787      3.35573  16.0581      3.844    43.698      172.453     11.4934     172.453     
1 1 1 11 22 37 o 14.71   4.83825 -0.162671    2.57045  -0.435093    2.74078  3.00648     244.122     0.854208    244.122     
1 1 1 11 22 38 o 19.1815 5.59588 2.50512      2.64802  3.23472      2.71445  13.3314     155.132     5.22881     155.132     
1 1 1 11 22 39 o 25.0546 6.605   6.31782      3.35866  6.78863      3.4714   21.3525     104.536     6.30909     104.536     
1 1 1 11 22 40 o 21.4361 5.8554  3.99965      2.66994  4.55839      2.8148   14.6396     247.436     1.95582     67.4361     
1 1 1 11 22 41 o 20.0884 5.62903 3.21174      2.46978  4.02097      2.70666  12.2143     249.537     0.824112    69.5365     
1 1 1 11 22 42 o 15.0912 4.77907 1.79141      2.17197  -0.826314    2.67572  2.85386     342.589     5.52037     162.589     
1 1 1 11 22 43 o 20.0007 5.34015 6.13909      2.5852   0.180238     2.74368  12.228      174.565     0.735877    174.565     
1 1 1 11 22 44 o 13.7385 4.5656  -0.433662    2.24523  0.805736     2.6488   4.52978     92.2499     4.84123     272.25      
1 1 1 11 22 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 23 0  o 201.884 2.37229 224.173      7.37035  224.173      7.37035  208.876     90          64.043      90          
1 1 1 11 23 1  o 38.6455 3.93571 9.12058      2.17527  8.28132      2.35303  26.6889     173.876     10.3784     353.876     
1 1 1 11 23 2  o 54.1159 3.09264 14.9087      2.60621  18.2762      2.46024  43.4676     234.153     4.99611     54.1531     
1 1 1 11 23 3  o 37.7456 3.95963 7.95898      2.38204  8.66896      2.04245  33.5273     270.964     6.3694      270.964     
1 1 1 11 23 4  o 48.4233 3.17524 15.1578      2.26517  11.5652      2.35908  43.5021     325.799     5.84471     325.799     
1 1 1 11 23 5  o 26.8283 4.1639  3.7025       1.72727  4.90025      1.62558  17.4434     22.7153     5.61924     202.715     
1 1 1 11 23 6  f 52.2836 2.84701 18.6876      2.24977  12.3923      2.22216  25.8236     170.827     0           0           
1 1 1 11 23 7  o 80.8164 2.49617 34.6385      3.10011  38.2159      3.09127  67.0512     8.34708     5.63108     188.347     
1 1 1 11 23 8  o 37.9217 2.98779 7.99507      1.77438  8.34391      1.64831  29.5842     93.106      3.52451     273.106     
1 1 1 11 23 9  o 20.735  5.30249 2.38495      2.2329   2.26884      2.11547  1.62056     209.938     28.5094     29.9379     
1 1 1 11 23 10 o 34.827  4.72552 7.21803      2.42324  7.47614      2.46112  23.8299     191.235     9.65724     11.2347     
1 1 1 11 23 11 o 25.7311 5.12647 5.66686      2.22229  2.45398      2.23239  21.8087     30.9623     7.52149     30.9623     
1 1 1 11 23 12 o 45.4629 4.1232  12.1551      2.93595  12.1903      2.69578  42.8572     324.917     9.29005     324.918     
1 1 1 11 23 13 o 73.8079 3.31523 27.3523      3.4469   35.1541      4.05753  68.5567     236.015     9.86225     236.015     
1 1 1 11 23 14 f 19.9288 4.67674 4.64353      2.15216  -2.34887     2.24825  8.21271     81.5749     0           0           
1 1 1 11 23 15 o 24.4035 5.40781 3.18637      2.25945  4.28907      2.29066  18.4526     268.197     1.26639     268.197     
1 1 1 11 23 16 o 37.9573 4.5959  9.95451      2.58752  7.72122      2.5688   29.8642     164.592     3.02123     344.592     
1 1 1 11 23 17 o 46.7891 4.04776 10.5369      2.76483  15.7536      2.8428   43.3791     272.21      8.5791      272.21      
1 1 1 11 23 18 o 50.9913 3.82659 13.0936      2.9      17.8068      2.9545   41.2759     182.615     3.44195     2.6147      
1 1 1 11 23 19 o 15.5098 4.82335 -0.692927    2.22505  0.526697     2.26439  3.09094     131.148     4.3752      311.148     
1 1 1 11 23 20 o 35.0261 5.30782 10.7916      2.89922  5.39031      2.73187  32.8694     75.0993     10.9787     75.0993     
1 1 1 11 23 21 o 57.0402 4.50464 18.63        3.62845  21.2402      4.15287  56.2227     104.034     16.8067     104.034     
1 1 1 11 23 22 o 32.6801 6.25646 8.80089      3.13565  6.0377       3.46534  27.6392     51.1875     5.03733     51.1875     
1 1 1 11 23 23 o 35.3793 5.53164 6.63386      2.63431  10.2598      3.26338  32.9184     128.701     10.4321     128.701     
1 1 1 11 23 24 o 27.6745 5.41587 2.94126      2.5463   7.47199      2.57361  24.6309     80.5777     12.114      80.5777     
1 1 1 11 23 25 o 16.1777 4.99377 0.693283     2.44979  0.172567     2.24516  4.84813     160.272     2.29454     340.272     
1 1 1 11 23 26 o 14.2991 4.63315 0.273585     2.21571  -2.47601     2.57632  3.21179     257.555     8.27492     77.555      
1 1 1 11 23 27 o 51.1691 4.29492 13.4646      3.20346  20.0233      3.30363  38.1087     279.903     9.79564     99.9031     
1 1 1 11 23 28 o 26.6472 6.01269 5.99407      2.68532  4.81792      2.95751  22.533      186.457     4.46522     186.457     
1 1 1 11 23 29 o 16.8853 5.35075 -0.0884418   2.83692  0.970018     2.92337  5.35112     290.253     1.85608     290.253     
1 1 1 11 23 30 o 35.3477 6.25316 7.77248      3.43691  11.8816      3.48128  32.6832     150.319     9.1003      150.319     
1 1 1 11 23 31 o 35.0305 5.38741 12.8224      2.974    5.56803      2.86558  34.3306     264.229     13.545      264.229     
1 1 1 11 23 32 o 20.312  5.82248 2.98121      2.68394  2.93629      2.99981  14.3443     92.5778     4.41089     92.5778     
1 1 1 11 23 33 o 16.1494 5.29339 -0.0138878   3.66437  0.126468     2.60587  8.79825     94.3843     2.8153      274.384     
1 1 1 11 23 34 o 16.2967 5.23703 -0.682315    3.45506  1.30199      2.50617  8.61852     16.1176     5.20269     196.118     
1 1 1 11 23 35 f 15.3457 5.09298 0.858259     3.34656  -1.31446     2.66492  16.5785     106.742     0           0           
1 1 1 11 23 36 o 21.129  5.85879 5.68051      2.89837  1.59043      3.13726  16.6199     152.871     5.95953     152.871     
1 1 1 11 23 37 o 15.5163 4.97329 -2.08016     2.67968  2.4384       2.71837  6.3443      75.3426     1.16555     75.3426     
1 1 1 11 23 38 o 19.1385 5.98868 3.56971      3.57566  2.70174      3.39311  12.8506     45.0873     3.97013     45.0873     
1 1 1 11 23 39 o 15.184  5.02309 0.760686     2.60997  -0.778016    3.38337  4.34033     197.708     2.08824     17.7084     
1 1 1 11 23 40 o 18.8729 5.60432 2.59717      2.81129  3.4343       2.72651  7.27664     254.983     0.346238    74.9831     
1 1 1 11 23 41 o 19.5207 5.78605 2.54847      3.27251  4.49951      2.81533  8.58518     313.126     8.69936     133.126     
1 1 1 11 23 42 o 16.4099 5.17832 2.82274      2.63568  1.17403      2.76916  5.66966     73.1477     0.947251    73.1477     
1 1 1 11 23 43 o ?       ?       ?            ?        ?            ?        7.94442     216.688     0           0           
1 1 1 11 24 0  o 9.33699 4.31512 -0.0931658   1.52667  -0.0931658   1.52667  2.85522     90          13.0506     90          
1 1 1 11 24 1  o 32.9691 4.37858 7.57775      2.06037  5.56552      2.19494  28.9195     42.6997     4.59121     42.6997     
1 1 1 11 24 2  o 28.7853 4.396   6.56298      1.95167  3.62675      1.86627  15.9826     62.6417     14.8981     242.642     
1 1 1 11 24 3  o 41.1962 4.02487 9.38997      2.44282  10.6415      2.52329  27.2658     66.1448     14.7744     246.145     
1 1 1 11 24 4  o 28.7838 4.50747 6.0674       1.74069  4.03465      2.17281  19.5345     80.8767     7.29878     260.877     
1 1 1 11 24 5  o 32.3882 3.81001 4.89899      1.80194  7.62285      1.81231  29.6864     224.992     7.35086     224.992     
1 1 1 11 24 6  o 17.9605 4.32944 1.28198      1.47109  2.28092      1.45021  5.22011     181.575     15.7682     1.57512     
1 1 1 11 24 7  o 43.7542 2.95518 11.0513      2.03375  10.7845      1.89883  34.2608     218.654     4.96338     38.654      
1 1 1 11 24 8  o 23.2402 5.6768  -0.0497223   3.53116  4.78309      2.32412  7.9807      134.399     4.95082     134.399     
1 1 1 11 24 9  o 18.5805 5.07179 -0.231213    2.06209  3.02252      2.31203  4.39843     301.988     18.1616     121.988     
1 1 1 11 24 10 o 38.6085 4.6544  6.49133      2.59654  12.1245      2.60694  35.2431     30.1423     7.67766     30.1423     
1 1 1 11 24 11 o 16.9598 4.88665 1.85537      2.07637  -0.168049    2.07604  6.2313      92.4794     5.17145     272.479     
1 1 1 11 24 12 o 14.1776 4.43536 0.708493     1.98748  -1.86125     1.99342  0.242623    234.645     0.431926    54.6452     
1 1 1 11 24 13 o 39.8695 4.57869 11.7013      2.70236  7.98445      2.6616   28.1544     65.8045     9.31903     245.805     
1 1 1 11 24 14 o 19.5015 5.25308 0.0458762    2.3251   3.36495      2.35735  9.18811     320.604     4.89365     140.604     
1 1 1 11 24 15 o 27.0551 5.40244 3.53266      2.41956  6.0385       2.40393  22.5494     328.176     9.30678     328.176     
1 1 1 11 24 16 o 20.302  5.28388 1.12333      2.22899  3.373        2.27212  9.57206     281.171     1.21515     281.171     
1 1 1 11 24 17 o 62.1063 3.41479 21.4564      3.23829  23.5695      3.23503  64.1475     167.153     24.3525     167.153     
1 1 1 11 24 18 o 60.2845 3.6616  21.4711      3.23198  21.4707      3.49292  60.6613     292.617     20.6522     292.617     
1 1 1 11 24 19 o 15.1343 4.72971 1.14995      2.25443  -2.35393     2.34185  2.73658     191.236     7.5647      11.2364     
1 1 1 11 24 20 o 24.2027 5.67502 3.83101      2.46088  4.07585      2.47263  9.05267     94.7187     18.8849     274.719     
1 1 1 11 24 21 o 19.4732 5.78345 2.44534      3.01133  0.740074     2.90963  7.8386      38.4448     10.4931     218.445     
1 1 1 11 24 22 o 36.7491 5.42664 6.3388       2.67424  12.547       3.33627  34.4305     262.155     10.6563     262.155     
1 1 1 11 24 23 o 16.6115 5.06876 0.846703     2.38463  0.667788     2.34176  6.3368      279.798     7.41717     99.7978     
1 1 1 11 24 24 o 28.6861 5.6881  5.58826      2.6091   6.35489      2.62719  26.514      349.763     10.0958     349.763     
1 1 1 11 24 25 o 15.7005 4.88275 1.45337      2.35177  -1.0453      2.35232  7.35295     294.169     0.742728    114.169     
1 1 1 11 24 26 o 22.6966 5.88873 3.73916      2.67585  3.8917       2.71505  17.0509     32.8987     1.22658     32.8988     
1 1 1 11 24 27 o 20.5886 5.95928 1.0415       3.00835  4.2881       3.18003  10.7495     111.171     8.41085     291.171     
1 1 1 11 24 28 o 21.1882 6.02603 1.43264      3.13088  4.69817      3.1258   8.65132     163.103     14.1558     343.103     
1 1 1 11 24 29 o 24.8704 6.20819 4.74888      2.77779  5.57658      3.14622  12.1426     156.264     14.0831     336.264     
1 1 1 11 24 30 o 23.2391 6.57488 2.00963      2.74937  8.2366       4.38468  14.8199     212.504     5.00989     32.5038     
1 1 1 11 24 31 o 16.1977 5.28369 0.898299     2.63749  -1.13355     3.71529  8.30092     198.971     5.54523     18.9709     
1 1 1 11 24 32 f 23.5368 6.47953 4.54004      3.26615  5.96207      3.50132  13.7986     331.267     0           0           
1 1 1 11 24 33 f 15.7747 5.13833 -1.0719      3.41109  1.0922       2.5768   13.8725     106.49      0           0           
1 1 1 11 24 34 o 24.3857 6.32877 6.66864      3.29019  4.8613       2.95098  20.9209     185.158     7.69651     185.158     
1 1 1 11 24 35 o 13.0536 4.45669 -2.68969     2.71519  -1.06079     2.70346  4.0349      338.721     5.34655     158.721     
1 1 1 11 24 36 o 14.1961 4.66892 1.30546      2.48992  -2.71118     2.70632  3.26745     212.198     0.0128618   32.1979     
1 1 1 11 24 37 o 16.8201 5.41041 -0.291267    3.5232   2.53114      2.89877  6.66433     204.344     5.64823     24.3435     
1 1 1 11 24 38 o 15.1186 5.01421 -0.186922    2.47656  0.74552      3.35526  2.48548     330.63      4.60136     150.63      
1 1 1 11 24 39 o 23.1734 6.09373 5.39955      2.87391  5.67042      2.93269  15.3297     12.004      0.125696    192.004     
1 1 1 11 24 40 o 15.3676 4.9694  -1.2373      2.62394  3.15363      2.81531  4.54059     37.1059     0.351789    217.106     
1 1 1 11 24 41 o 16.7048 5.25842 2.62866      2.70053  2.0084       2.76777  7.98948     129.909     6.7648      309.909     
1 1 1 11 24 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 25 0  o 36.312  3.75309 7.85833      1.96769  7.85833      1.96769  9.1823      90          43.8878     270         
1 1 1 11 25 1  o 33.2764 4.12384 9.03677      1.97894  4.66154      1.99634  26.4775     178.241     0.362338    178.241     
1 1 1 11 25 2  o 20.9414 4.73507 2.14186      1.75523  3.19942      1.73845  0.367       87.0986     31.2538     267.099     
1 1 1 11 25 3  o 17.0788 4.82651 0.742645     1.91104  1.61767      1.95268  4.22278     349.406     1.59843     169.406     
1 1 1 11 25 4  o 15.7202 4.49433 1.28099      1.51826  0.280551     1.93674  2.10959     57.1575     14.2329     237.157     
1 1 1 11 25 5  o 49.3798 3.12001 12.8738      2.34056  15.3056      2.33709  48.6869     292.624     16.1318     292.624     
1 1 1 11 25 6  o 22.3823 4.40068 4.21112      1.61897  1.96242      1.67365  14.8417     118.05      2.12064     118.05      
1 1 1 11 25 7  o 62.2921 3.42341 15.2696      2.9319   31.2322      3.38219  58.086      149.424     11.9159     149.424     
1 1 1 11 25 8  o 44.9285 4.1052  12.5668      2.79125  11.7482      2.75452  30.9518     304.713     12.3237     124.713     
1 1 1 11 25 9  o 56.5005 3.7089  24.1067      3.17163  14.1322      3.03031  58.2268     92.4814     23.0214     92.4814     
1 1 1 11 25 10 o 26.1956 5.31209 3.11712      2.30746  5.82612      2.34717  19.6753     236.615     2.65915     236.615     
1 1 1 11 25 11 o 25.0102 5.40879 3.05183      2.32702  5.073        2.32908  18.4718     19.7573     5.27621     19.7573     
1 1 1 11 25 12 o 54.044  3.78055 14.4719      3.06564  20.4165      3.04274  55.6854     97.7647     22.5645     97.7647     
1 1 1 11 25 13 o 16.1009 4.78792 1.83288      2.13681  -1.26042     2.15028  2.25641     266.286     1.82175     86.2855     
1 1 1 11 25 14 o 45.7163 4.22945 11.5789      2.88864  14.0467      2.89258  41.7947     85.8278     9.15546     85.8278     
1 1 1 11 25 15 o 38.2135 4.80679 7.28073      2.67161  11.5383      2.71838  37.9855     319.057     16.2691     319.057     
1 1 1 11 25 16 o 18.6349 5.23294 3.13543      2.43512  -0.199674    2.32312  6.59878     134.704     11.2446     314.704     
1 1 1 11 25 17 o 58.9556 3.61126 18.6166      3.20648  23.1654      3.25286  55.7287     304.977     13.5588     304.977     
1 1 1 11 25 18 o 27.2854 5.6874  3.33481      2.62099  7.25163      2.74526  23.6167     234.891     9.26398     234.891     
1 1 1 11 25 19 o 19.087  5.40919 1.7425       2.46171  2.25945      2.38549  9.51782     137.816     6.05451     317.816     
1 1 1 11 25 20 o 25.7552 6.06533 4.39157      3.16775  5.43441      2.59761  22.1892     340.614     8.96459     340.614     
1 1 1 11 25 21 o 16.6761 5.30983 -2.52757     2.93921  1.9019       3.0384   7.73067     32.6573     0.260858    32.6573     
1 1 1 11 25 22 f 36.6017 5.23634 10.5746      2.8468   8.11038      2.85088  25.7852     332.68      0           0           
1 1 1 11 25 23 o 58.5616 3.7175  22.9275      3.30768  19.6215      3.30392  56.6332     284.836     16.1335     284.836     
1 1 1 11 25 24 f 14.9206 4.72079 -2.23142     2.30447  1.49924      2.37807  17.4535     139.905     0           0           
1 1 1 11 25 25 o 17.1897 5.22681 1.11628      2.36366  1.41511      2.62465  6.64712     98.8696     0.916487    98.8696     
1 1 1 11 25 26 o 21.4623 6.18622 3.75829      3.23615  3.30757      3.21137  11.8586     91.8655     7.01535     271.866     
1 1 1 11 25 27 o 14.6565 4.8814  -4.35681     3.10464  0.682333     2.86952  2.43315     13.5736     0.171065    13.5735     
1 1 1 11 25 28 o 31.6322 6.03529 8.68954      2.96739  7.70502      3.06915  26.5401     150.751     3.21234     150.751     
1 1 1 11 25 29 o 30.9801 6.38745 9.0642       3.2541   7.78991      3.23736  22.8788     285.112     3.2026      105.112     
1 1 1 11 25 30 o 26.0685 6.314   5.15699      3.28695  7.34467      3.01975  21.2165     181.228     3.39382     181.228     
1 1 1 11 25 31 o 13.2679 4.42891 -0.0477114   2.36036  -2.15897     2.43996  3.20992     350.005     0.908248    170.005     
1 1 1 11 25 32 o 13.7646 4.58251 -0.356242    2.53025  -1.03704     2.47938  1.94646     256.014     0.0699733   76.014      
1 1 1 11 25 33 o 14.0478 4.66715 -0.12976     2.58191  -0.746665    2.56928  5.0661      144.046     5.92039     324.047     
1 1 1 11 25 34 o 18.3641 5.8819  1.18427      2.94141  4.29485      4.11365  8.43883     40.4375     2.7111      40.4375     
1 1 1 11 25 35 o 20.5785 6.03767 2.96638      3.48737  5.03157      3.0325   9.9258      309.242     7.49434     129.242     
1 1 1 11 25 36 o 14.9722 4.98065 -1.89127     3.31268  1.1057       2.79656  1.08557     108.039     1.52406     288.039     
1 1 1 11 25 37 o 16.0457 5.27852 1.30714      2.64228  0.731464     3.82422  5.17932     151.609     4.58156     331.609     
1 1 1 11 25 38 o 17.3166 5.40729 1.82586      2.68362  3.63847      2.97564  7.82896     264.96      6.23581     84.9604     
1 1 1 11 25 39 o 16.9867 5.35039 2.87134      2.68286  2.08053      3.03993  10.4592     99.6345     1.09725     99.6345     
1 1 1 11 25 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 26 0  o 30.5231 4.71173 6.00064      1.93982  6.00064      1.93982  34.189      270         21.2889     270         
1 1 1 11 26 1  o 16.3477 4.3492  2.59387      1.72556  -0.569571    1.58179  4.28903     306.106     5.98497     126.106     
1 1 1 11 26 2  o 22.0705 5.1591  3.05648      2.4206   3.07249      1.71134  12.5135     27.2821     3.73399     207.282     
1 1 1 11 26 3  o 56.9206 3.42114 18.016       2.93199  20.0271      3.00487  59.5377     201.066     25.9202     201.066     
1 1 1 11 26 4  o 22.9401 4.78605 3.94052      1.76597  2.75467      1.90845  14.7174     108.189     0.596204    288.189     
1 1 1 11 26 5  o 61.4569 2.82044 22.9262      2.6606   20.4423      2.64235  67.7477     308.403     34.6021     308.403     
1 1 1 11 26 6  o 65.7035 3.40391 25.7427      3.00102  24.9404      3.7627   49.2622     357.442     10.9462     177.442     
1 1 1 11 26 7  o 21.6766 5.55227 1.77723      2.43769  3.95749      2.46892  9.6193      259.455     11.0631     79.4548     
1 1 1 11 26 8  o 50.8221 4.9892  14.704       3.32499  18.5543      4.27836  42.9525     59.4983     2.75176     59.4983     
1 1 1 11 26 9  o 21.5801 5.49256 0.462202     2.47604  4.87881      2.62755  6.60128     90.2618     18.3504     270.262     
1 1 1 11 26 10 o 52.6774 5.70449 15.3227      4.71116  22.0194      3.756    45.552      133.197     4.90177     133.197     
1 1 1 11 26 11 o 15.245  4.77942 -0.961606    2.09362  0.895414     2.39808  0.122471    73.9073     19.8629     73.9072     
1 1 1 11 26 12 o 33.7733 5.9021  8.28864      2.71829  7.90221      3.42208  23.6446     304.136     5.89118     124.136     
1 1 1 11 26 13 o 26.2417 5.79962 5.61465      2.45887  4.19411      2.87073  19.9388     351.158     1.95149     351.158     
1 1 1 11 26 14 o 26.3521 5.68323 5.17909      2.50778  4.78899      2.52839  21.0897     243.134     4.08624     243.134     
1 1 1 11 26 15 o 14.4198 4.55207 1.03905      2.11552  -2.12356     2.2289   3.96294     161.179     3.32453     341.179     
1 1 1 11 26 16 o 11.3661 3.89313 -3.04985     2.07759  -2.24094     2.12738  0.42097     60.6857     8.92165     240.686     
1 1 1 11 26 17 f 13.7292 4.50089 -0.587379    2.15859  -1.28602     2.39371  18.9833     354.771     0           0           
1 1 1 11 26 18 o 32.6102 6.49739 8.3161       3.24872  8.60366      3.56038  21.8127     315.89      8.20059     135.89      
1 1 1 11 26 19 o 51.3148 4.60791 16.9839      3.81095  17.6925      3.22688  53.9573     65.8734     24.4129     65.8734     
1 1 1 11 26 20 o 20.8306 6.00448 4.83448      3.23967  0.364415     3.20624  9.51832     297.15      11.2321     117.15      
1 1 1 11 26 21 o 24.773  5.92046 6.32514      2.61953  2.80245      3.35164  15.6974     35.7924     5.41036     215.792     
1 1 1 11 26 22 o 28.4617 6.00806 6.33708      2.74391  6.57095      2.92434  14.1355     263.275     16.0759     83.2754     
1 1 1 11 26 23 o 13.3955 4.43141 -4.19773     2.30439  0.803876     2.44986  3.27987     235.295     2.77868     55.2949     
1 1 1 11 26 24 f 32.8778 6.75659 8.94654      3.58332  10.2234      3.67727  25.0873     171.045     0           0           
1 1 1 11 26 25 o 16.5455 5.32357 1.55933      3.00965  -0.574121    3.00423  8.82037     151.765     3.25035     151.765     
1 1 1 11 26 26 o 13.9752 4.61742 0.43761      2.4928   -2.23533     2.52421  5.09349     42.2345     7.60842     222.234     
1 1 1 11 26 27 o 16.4179 5.17808 -0.693232    2.58467  2.46164      2.83428  9.32904     87.1541     0.470146    267.154     
1 1 1 11 26 28 o 24.8527 6.21214 7.32269      3.06171  4.19725      3.12754  19.0644     91.3684     1.78067     91.3684     
1 1 1 11 26 29 o 15.117  4.86685 -3.0103      2.6334   2.36553      2.68392  6.87305     66.5425     2.2883      246.543     
1 1 1 11 26 30 o 23.0748 5.99059 3.75915      2.88317  6.26101      2.86542  15.3202     31.5377     3.02284     211.538     
1 1 1 11 26 31 o 18.7421 5.58375 2.05453      2.77851  3.58606      2.77558  11.7493     160.789     3.36409     160.789     
1 1 1 11 26 32 o 13.0924 4.42101 -0.12549     2.51464  -2.47342     2.52756  1.74477     218.098     3.56247     38.0983     
1 1 1 11 26 33 o 23.9099 6.37531 6.61899      3.26465  5.38067      3.15522  15.871      81.5129     3.13948     81.5129     
1 1 1 11 26 34 o 51.938  5.42998 21.4044      4.17875  22.1974      4.24523  53.968      129.384     26.7487     129.384     
1 1 1 11 26 35 o 17.101  5.51757 3.89032      3.43333  0.55323      3.03399  2.43272     224.15      0.346152    224.15      
1 1 1 11 26 36 o 17.0024 5.6162  0.530099     3.42421  4.3974       3.84506  8.09034     217.761     4.42777     37.7608     
1 1 1 11 26 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 27 0  o 11.7704 4.98547 1.00788      1.61327  1.00788      1.61327  0.449132    270         4.41494     90.0001     
1 1 1 11 27 1  f 17.3344 4.42497 -0.200169    1.71246  3.05324      1.70355  16.9102     330.434     0           0           
1 1 1 11 27 2  o 15.0337 4.19975 -0.839341    1.62967  2.06032      1.57101  3.40551     104.965     1.74971     284.965     
1 1 1 11 27 3  f 11.0761 3.68274 -1.4647      1.64132  -1.10149     1.57886  7.92427     276.439     0           0           
1 1 1 11 27 4  o 14.784  4.2574  -0.920476    1.48871  2.0757       1.78954  2.98467     71.7583     11.4087     251.758     
1 1 1 11 27 5  o 21.37   4.57532 4.1543       1.73225  1.78578      1.71652  14.0946     353.512     6.47011     353.512     
1 1 1 11 27 6  o 28.9947 6.26317 5.51897      4.05161  7.02991      2.54562  26.9912     347.624     14.4096     347.624     
1 1 1 11 27 7  o 41.3191 5.75179 9.74752      4.00309  14.4282      2.88117  30.5264     170.727     5.41488     350.727     
1 1 1 11 27 8  o 45.1338 5.001   13.3925      3.42964  13.8571      3.28578  46.1832     271.277     20.248      271.277     
1 1 1 11 27 9  o 21.0619 5.69328 1.52553      2.54625  4.27318      2.75238  12.2668     279.888     5.17415     99.8883     
1 1 1 11 27 10 o 19.4837 5.48977 1.15598      2.54256  3.23346      2.532    9.92478     274.83      7.50126     94.8301     
1 1 1 11 27 11 o 34.126  5.66578 9.71513      2.93471  7.22629      2.95661  31.0171     350.573     8.75918     350.573     
1 1 1 11 27 12 o 15.6871 4.85275 2.05334      2.41093  -2.28319     2.38928  7.25317     79.5711     0.291996    259.571     
1 1 1 11 27 13 o 16.2081 5.0361  -0.626989    2.4397   1.54839      2.50014  6.52804     122.223     7.83526     302.223     
1 1 1 11 27 14 o 28.5457 6.08642 5.64624      2.91767  7.04427      2.9147   24.9636     194.728     7.74676     194.728     
1 1 1 11 27 15 o 24.5054 5.64198 7.21491      2.798    1.41315      2.78768  19.2734     40.5659     3.89924     40.5659     
1 1 1 11 27 16 o 53.3198 4.55327 18.8947      3.57185  18.8362      3.74827  54.6449     188.681     23.2882     188.681     
1 1 1 11 27 17 o 17.0763 5.31269 0.732219     2.53557  1.28789      2.86694  6.08584     161.991     0.279827    161.991     
1 1 1 11 27 18 o 16.7172 5.25494 -0.0189896   2.38144  1.78465      3.01158  3.22384     313.859     16.5191     133.859     
1 1 1 11 27 19 o 37.7889 6.4783  9.43583      3.69312  14.3258      3.88058  29.2895     227.131     1.09958     47.1309     
1 1 1 11 27 20 o 19.5497 6.23416 1.49817      2.71444  3.7277       5.19411  11.9526     230.409     2.17086     50.4093     
1 1 1 11 27 21 o 17.3342 5.33165 1.2835       2.60599  1.70907      2.70832  8.56689     280.426     7.03639     100.426     
1 1 1 11 27 22 o 14.9842 4.85881 0.925798     2.53167  -1.2469      2.64502  6.96739     347.31      1.19089     347.31      
1 1 1 11 27 23 o 16.1224 5.26483 1.69095      3.00665  -2.02212     3.3591   8.49473     145.236     2.70942     325.236     
1 1 1 11 27 24 o 21.0836 6.08675 5.76902      3.27589  1.59974      3.33471  15.7868     202.011     6.90683     202.011     
1 1 1 11 27 25 o 31.6094 6.01342 11.7995      3.20973  5.91187      3.20835  24.475      144.293     0.223704    144.294     
1 1 1 11 27 26 o 16.8344 5.26454 -0.606672    2.65266  3.14575      2.88889  5.78247     55.6933     2.09279     55.6933     
1 1 1 11 27 27 o 13.167  4.46602 -2.81556     2.54998  -0.228721    2.68244  0.774468    334.159     0.188712    154.159     
1 1 1 11 27 28 f 14.9648 4.91022 -0.201923    2.56717  0.66177      2.83521  7.74913     59.4084     0           0           
1 1 1 11 27 29 o 29.5308 5.83969 5.00307      3.02539  11.0177      3.03388  25.4903     53.4156     8.49264     53.4156     
1 1 1 11 27 30 o 19.2339 5.69864 2.34637      2.94988  3.9712       2.81876  7.92957     313.684     7.33262     133.684     
1 1 1 11 27 31 o 12.7646 4.34373 0.102268     2.5633   -3.80672     2.55568  0.165992    306.341     6.79239     126.341     
1 1 1 11 27 32 o 18.415  5.55933 4.83225      2.92705  0.679029     2.9939   7.95945     212.534     0.142205    212.534     
1 1 1 11 27 33 o 15.8071 5.14564 0.333726     2.95926  2.48847      2.89488  6.12192     278.78      4.68428     98.7797     
1 1 1 11 27 34 o 19.7561 5.81004 0.24559      3.8786   6.97802      3.1136   13.3552     137.447     1.19522     137.447     
1 1 1 11 27 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 28 0  o 9.06752 4.36897 -0.730091    1.87871  -0.730091    1.87871  0.816099    90          5.73885     90          
1 1 1 11 28 1  o 14.988  4.40745 1.00157      1.65902  0.734051     1.7039   6.0055      304.874     3.08938     124.874     
1 1 1 11 28 2  o 21.6172 4.69263 4.69422      1.88559  1.59742      1.80636  14.4484     289.948     8.68064     289.948     
1 1 1 11 28 3  o 15.1682 4.58128 0.526024     1.91094  0.889575     1.88236  5.33056     357.968     0.742362    177.968     
1 1 1 11 28 4  o 41.1868 4.55473 10.1745      2.9425   12.2165      2.54261  35.1492     347.519     4.72801     347.519     
1 1 1 11 28 5  o 35.2788 5.23303 5.98377      2.82856  11.9049      2.74696  28.0148     281.269     0.761126    281.269     
1 1 1 11 28 6  o 16.7748 5.03289 1.28274      2.2478   1.07667      2.27237  7.87007     33.6306     3.22993     213.631     
1 1 1 11 28 7  o 27.4671 5.49217 3.23384      2.65136  8.00888      2.6222   16.6783     354.985     8.49112     174.985     
1 1 1 11 28 8  o 16.1559 4.89838 -3.96945     3.00666  2.51026      2.24743  4.08311     250.548     0.280757    250.548     
1 1 1 11 28 9  o 17.3307 5.34354 3.54687      3.19055  -1.56505     2.29909  7.50339     126.084     0.0279852   306.084     
1 1 1 11 28 10 o 35.1342 5.45043 5.9315       3.10958  12.4976      2.8296   26.6749     289.574     1.2899      109.574     
1 1 1 11 28 11 o 18.8085 5.54678 1.64742      2.67088  2.5574       2.68976  10.2193     144.729     0.650622    324.729     
1 1 1 11 28 12 o 82.7998 3.6487  44.7777      4.67923  41.1116      4.57556  89.1698     232.605     43.5948     232.605     
1 1 1 11 28 13 o 14.8792 4.91045 0.554344     2.98068  -1.99604     2.53217  4.97725     221.232     1.76129     41.2321     
1 1 1 11 28 14 o 48.4461 5.83869 16.178       4.52392  19.2498      3.62994  38.0478     297.665     1.58348     117.665     
1 1 1 11 28 15 o 32.9743 5.64557 4.7568       3.10068  12.8358      3.12992  29.0747     302.583     7.33756     302.583     
1 1 1 11 28 16 o 19.3406 5.57077 -0.0786977   2.74815  4.67229      2.88469  12.2543     39.4514     6.72651     39.4514     
1 1 1 11 28 17 o 12.8058 4.37354 -2.45625     2.60279  -1.99003     2.61059  4.54089     332.567     4.30425     152.567     
1 1 1 11 28 18 o 22.9169 6.45883 6.16358      3.87516  3.87746      2.96353  15.6975     289.999     1.62083     109.999     
1 1 1 11 28 19 o 19.5392 6.1805  5.26833      4.00251  -0.990906    4.06286  11.679      341.873     5.5364      341.873     
1 1 1 11 28 20 o 26.741  5.95067 10.3808      3.19516  1.19873      4.14     14.2026     277.879     12.4523     97.8789     
1 1 1 11 28 21 o 23.7671 6.3136  2.10675      3.42973  8.49628      3.51623  15.1647     46.9462     4.1525      226.946     
1 1 1 11 28 22 o 18.2786 5.78672 0.969475     3.23967  3.35533      3.49597  10.5757     13.7552     1.44473     193.755     
1 1 1 11 28 23 o 16.0246 5.09837 2.58971      2.73317  -1.33251     2.79754  7.85564     321.664     1.00949     141.664     
1 1 1 11 28 24 o 14.5297 4.83005 -0.846435    2.69903  0.256094     2.82729  5.61618     248.707     4.04585     68.7072     
1 1 1 11 28 25 o 14.9287 4.92518 0.599399     2.76756  -0.477065    2.8183   1.79907     300.5       0.180505    120.5       
1 1 1 11 28 26 o 18.1285 5.70982 2.45843      3.01597  2.50782      3.44087  7.88123     81.3817     1.93972     261.382     
1 1 1 11 28 27 o 19.4918 5.55806 5.84107      2.84961  -1.53528     3.45506  4.67183     306.401     0.904738    306.401     
1 1 1 11 28 28 o 21.6182 5.55397 0.258358     2.87732  7.46388      2.87078  11.4978     324.353     3.13789     324.353     
1 1 1 11 28 29 f 14.1331 4.70244 0.45786      2.58425  -0.703559    2.7052   2.19289     87.6378     0           0           
1 1 1 11 28 30 o 16.5807 5.28337 1.64871      2.88614  2.62017      2.8287   6.95472     332.724     4.31554     152.724     
1 1 1 11 28 31 o 25.9668 6.3377  10.8996      3.43932  5.11957      3.14259  18.2435     61.9597     1.22478     241.96      
1 1 1 11 28 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 29 0  f 54.9867 3.14197 17.6922      2.61918  17.6922      2.61918  26.314      90          0           0           
1 1 1 11 29 1  o 32.3504 4.68191 6.59974      2.14495  7.94948      2.36604  32.7219     99.3051     17.4055     99.3051     
1 1 1 11 29 2  o 21.3949 4.88369 1.80924      1.94801  4.70071      1.97395  15.6554     72.9643     2.24826     72.9643     
1 1 1 11 29 3  o 16.8896 4.97812 1.54936      2.07895  1.49912      2.22202  8.31471     28.1001     4.59935     208.1       
1 1 1 11 29 4  o 25.8825 5.68957 3.61809      2.54937  7.11425      2.68918  13.1162     51.0112     13.0816     231.011     
1 1 1 11 29 5  o 13.5026 4.43365 -1.05554     2.19454  -0.288946    2.23897  4.44397     35.4996     4.59474     215.5       
1 1 1 11 29 6  o 30.9341 5.81886 6.20297      2.80747  9.15131      2.92155  28.4868     301.924     10.7155     301.924     
1 1 1 11 29 7  o 15.4    4.83108 -1.22216     2.35781  1.83069      2.38463  5.74985     75.4301     1.45019     75.4301     
1 1 1 11 29 8  o 19.9147 5.53341 3.79278      2.53293  2.02966      2.52002  14.0886     36.4379     1.38772     36.4379     
1 1 1 11 29 9  o 29.2688 5.929   7.31105      2.826    6.77888      2.79574  27.3738     358.058     11.3227     358.058     
1 1 1 11 29 10 o 15.0991 4.73884 -2.26545     2.41952  2.07393      2.3316   2.9709      342.978     1.08395     342.978     
1 1 1 11 29 11 o 23.9597 5.95975 4.9577       2.74112  4.92436      2.71485  9.28008     303.635     17.8351     123.635     
1 1 1 11 29 12 o 28.5751 5.99245 6.22411      2.81306  7.65596      2.86923  26.9561     102.24      12.6229     102.24      
1 1 1 11 29 13 o 22.6529 6.18554 3.07412      2.99868  6.21798      3.25738  17.1912     332.314     3.42262     332.314     
1 1 1 11 29 14 o 14.003  4.61381 -1.764       2.56637  0.413726     2.39022  3.20256     179.319     11.2609     359.319     
1 1 1 11 29 15 o 26.3356 6.85727 7.36248      3.74957  7.21461      3.57476  21.7599     37.8895     6.75523     37.8895     
1 1 1 11 29 16 o 24.0676 6.30471 7.75922      3.30468  3.27667      3.33527  17.051      302.995     0.0285725   302.996     
1 1 1 11 29 17 o 19.0885 5.66292 1.31589      2.86299  4.17074      2.91545  12.1219     348.484     1.14021     348.484     
1 1 1 11 29 18 o 17.4492 5.58038 -0.309455    3.81953  2.76196      2.97405  9.12987     57.4695     1.7879      57.4695     
1 1 1 11 29 19 o 17.174  5.80484 0.605342     3.29785  1.13038      5.4377   4.66098     184.851     1.62656     184.851     
1 1 1 11 29 20 o 23.543  6.53874 2.88791      3.91508  8.75861      3.71398  17.5775     96.0158     10.1384     96.0158     
1 1 1 11 29 21 o 16.6881 5.42144 1.62396      3.50982  1.02267      2.84747  7.00247     239.892     2.3742      59.8916     
1 1 1 11 29 22 o 13.106  4.47242 -0.487474    2.6926   -3.23139     2.7995   1.018       197.179     8.77298     17.1786     
1 1 1 11 29 23 o 19.4035 5.86319 2.8156       3.1525   3.90404      3.09006  5.15278     293.079     14.7051     113.079     
1 1 1 11 29 24 o 14.4266 4.81474 0.101621     2.77479  -0.711242    2.82607  1.08766     15.8086     2.95455     195.809     
1 1 1 11 29 25 o 16.0495 5.18487 1.20626      2.79618  1.26634      2.92005  4.30494     234.39      6.25388     54.3896     
1 1 1 11 29 26 o 15.7528 5.09836 -0.153448    2.82484  2.53578      2.83479  4.69415     157.55      2.26028     337.55      
1 1 1 11 29 27 o 18.5337 5.6319  4.81633      2.98274  2.21125      2.92095  8.21343     164.609     2.87788     164.609     
1 1 1 11 29 28 f 16.2336 5.20375 1.48214      2.7654   2.45151      2.85882  7.99329     214.793     0           0           
1 1 1 11 29 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 30 0  o 14.3572 5.71337 2.06845      1.91837  2.06845      1.91837  6.99183     90          5.15096     270         
1 1 1 11 30 1  o 10.9806 3.68994 -0.98829     1.70194  -1.55512     1.69516  1.02765     156.669     2.27389     336.669     
1 1 1 11 30 2  o 29.8329 4.91002 5.20805      2.23639  8.1295       2.25399  24.7199     86.4141     4.76512     86.4141     
1 1 1 11 30 3  f 21.9558 5.69051 4.89204      2.91584  3.41765      2.12053  23.8882     202.507     0           0           
1 1 1 11 30 4  o 20.1634 5.75502 4.19946      2.57119  2.05038      3.30415  10.4841     124.994     7.04891     304.994     
1 1 1 11 30 5  o 18.6246 5.40429 2.60412      2.50012  2.54084      2.45878  11.4115     325.886     0.0312136   325.887     
1 1 1 11 30 6  o 24.5383 6.16076 4.26636      2.73131  6.99613      3.16256  12.8499     301.299     10.3541     121.299     
1 1 1 11 30 7  o 27.8105 5.98689 8.01409      2.83565  5.62796      2.8818   22.993      330.438     5.88336     330.438     
1 1 1 11 30 8  o 35.3147 5.78978 8.50107      3.12733  12.0933      3.11636  30.6573     180.432     7.83109     180.432     
1 1 1 11 30 9  o 25.087  5.10787 -0.307788    2.78338  9.71376      2.81317  21.0629     175.295     7.11468     175.295     
1 1 1 11 30 10 o 17.5519 5.33964 2.72943      2.63199  1.18441      2.63964  9.77697     55.2869     0.983491    55.287      
1 1 1 11 30 11 o 14.2878 4.68368 -1.66676     2.51134  1.00112      2.49861  4.90768     193.235     5.52109     13.2354     
1 1 1 11 30 12 o 18.0837 5.36777 0.181473     2.71522  4.05009      2.67141  7.22439     335.882     10.1265     155.882     
1 1 1 11 30 13 o 25.0351 6.13042 5.28154      2.97594  6.7584       2.86721  16.9598     192.499     1.99533     12.4986     
1 1 1 11 30 14 o 17.6794 5.38585 3.29238      2.74743  0.972993     2.66842  9.9678      37.9867     0.377206    37.9868     
1 1 1 11 30 15 o 16.7175 5.26276 1.32917      2.63264  1.85567      2.82816  6.13791     284.549     0.74964     284.549     
1 1 1 11 30 16 o 13.5112 4.5397  0.635054     2.60705  -3.25996     2.66844  1.46379     138.552     1.8333      318.552     
1 1 1 11 30 17 o 16.7029 5.29543 -1.99508     3.72833  2.96732      2.65917  5.48527     255.838     3.28683     75.8383     
1 1 1 11 30 18 o 17.8635 6.08899 -2.10837     6.07382  2.94084      4.52476  5.6849      130.902     3.6412      310.902     
1 1 1 11 30 19 o 14.1346 4.80706 0.848119     3.16169  -3.92829     3.04768  0.116555    355.201     0.481699    175.201     
1 1 1 11 30 20 f 18.4316 5.60145 4.1794       2.99849  1.39504      2.83382  6.76135     271.872     0           0           
1 1 1 11 30 21 o 18.8105 5.65626 4.8726       3.0158   1.36033      2.91606  7.85639     121.235     5.95555     301.235     
1 1 1 11 30 22 f 18.6803 5.63491 5.72892      3.11089  0.664219     2.97018  8.29969     112.894     0           0           
1 1 1 11 30 23 o 16.1742 5.23541 1.91183      3.05585  1.80962      2.81344  6.61074     38.02       1.65623     218.02      
1 1 1 11 30 24 o 17.4482 5.48586 2.95901      3.03763  2.85572      2.88281  8.18927     147.022     5.92652     327.022     
1 1 1 11 30 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 30 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 31 0  f 9.35933 4.46805 -0.264664    1.87507  -0.264664    1.87507  9.72635     270         0           0           
1 1 1 11 31 1  o 16.4692 4.82164 1.73976      1.99416  1.82712      2.00033  6.58544     20.8454     1.35147     20.8454     
1 1 1 11 31 2  o 27.8723 5.20926 8.39132      2.35513  4.36506      2.49017  24.696      347.666     10.4707     347.666     
1 1 1 11 31 3  o 14.6226 4.88213 0.390331     3.24362  -0.751285    2.42354  3.8304      236.062     1.03489     56.0615     
1 1 1 11 31 4  o 16.1422 5.28456 -0.537825    2.44197  2.76339      3.59295  5.74817     6.20892     7.40959     186.209     
1 1 1 11 31 5  o 13.8892 4.55963 -2.00517     2.41666  1.09277      2.39635  2.31569     345.018     1.41581     165.018     
1 1 1 11 31 6  o 18.3872 5.48807 3.13465      2.67413  2.23153      2.67268  9.13865     357.128     2.72829     177.128     
1 1 1 11 31 7  o 13.6565 4.53899 -1.17078     2.45988  0.11318      2.44032  2.39986     294.059     4.22449     114.059     
1 1 1 11 31 8  o 30.9637 6.03874 10.7091      3.06174  6.88554      3.10773  26.112      255.952     8.8489      255.952     
1 1 1 11 31 9  o 14.8208 4.83163 1.04792      2.54115  -0.56298     2.63283  1.32273     309.011     1.10342     129.011     
1 1 1 11 31 10 o 15.6211 5.0273  0.577623     2.61167  1.15465      2.69781  3.36504     282.948     3.85695     102.948     
1 1 1 11 31 11 o 12.6757 4.31608 -0.344256    2.51218  -3.31949     2.53532  0.0664007   148.842     1.18869     328.842     
1 1 1 11 31 12 o 16.4024 5.20321 2.02314      2.71958  0.741424     2.76854  3.13352     272.008     3.73751     92.0077     
1 1 1 11 31 13 o 16.9569 5.33002 2.5751       2.76914  0.936123     2.88676  3.76111     30.7055     3.0943      210.705     
1 1 1 11 31 14 o 23.2612 5.99642 3.45733      3.01471  7.22353      2.938    13.8869     255.593     0.0219376   75.594      
1 1 1 11 31 15 o 16.8318 5.34975 0.454689     2.98097  2.93865      2.92551  3.8639      69.1397     11.3622     249.14      
1 1 1 11 31 16 o 15.5914 5.20838 0.860914     3.46821  0.541957     3.09713  4.09943     253.732     5.29794     73.7318     
1 1 1 11 31 17 o 21.8852 6.45947 3.31136      5.35248  8.45807      3.55895  13.0532     324.193     0.933877    144.193     
1 1 1 11 31 18 o 19.521  5.89027 6.45084      3.21729  1.48271      3.68776  11.1794     119.122     2.16054     119.122     
1 1 1 11 31 19 o 16.0775 5.14833 3.58119      2.84998  -0.529598    2.87812  7.44265     141.619     1.52532     321.619     
1 1 1 11 31 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 31 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 32 0  o 8.19336 4.15086 -2.78512     2.44536  -2.78512     2.44536  0.340791    90.0009     1.00243     90.0009     
1 1 1 11 32 1  o 12.8276 4.27702 -0.040843    1.95638  -1.59456     2.54291  0.049995    176.986     8.45236     356.986     
1 1 1 11 32 2  o 16.3117 4.83544 2.69579      1.86025  -0.501018    2.8964   3.53045     357.893     2.01512     177.893     
1 1 1 11 32 3  f 16.0445 5.10065 1.63464      2.62871  1.13162      2.64685  7.69815     143.822     0           0           
1 1 1 11 32 4  f 21.2186 5.98813 1.1735       2.66764  8.25416      3.56257  12.782      110.765     0           0           
1 1 1 11 32 5  o 24.8063 5.62121 2.0683       2.82473  9.55618      2.96223  17.5127     16.7165     4.77112     16.7165     
1 1 1 11 32 6  o 22.4555 5.43272 0.235911     2.78978  8.53716      2.86981  14.2695     121.555     3.80755     121.555     
1 1 1 11 32 7  o 14.6608 4.81675 0.738975     2.57579  0.284132     2.66935  2.42027     69.5841     2.54499     249.584     
1 1 1 11 32 8  o 15.5917 5.04864 1.85125      2.67731  0.579165     2.83294  2.58302     98.7602     0.826053    278.76      
1 1 1 11 32 9  o 13.4723 4.53373 1.00522      2.6233   -2.40168     2.63361  1.90142     342.208     2.95521     162.208     
1 1 1 11 32 10 o 16.2648 5.12873 3.80288      2.73576  -0.80346     2.84081  5.86364     127.833     0.988941    307.833     
1 1 1 11 32 11 o 14.3926 4.7856  0.295975     2.68554  0.579606     2.74481  3.5006      134.886     1.48305     314.886     
1 1 1 11 32 12 o 15.2257 4.9577  -0.81156     2.69909  2.77441      2.79813  2.47942     300.478     0.289528    300.478     
1 1 1 11 32 13 o 16.6536 5.30809 2.4395       2.87326  2.13002      2.87782  8.60769     298.197     0.162727    118.197     
1 1 1 11 32 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 32 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 32 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 33 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 33 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 33 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 33 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 33 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 33 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 11 33 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 0  0  o 78.7047 3.54655 34.1467      4.25777  34.1467      4.25777  18.348      180         102.029     180         
1 1 1 12 0  1  o 214.243 1.99868 250.087      6.59126  250.087      6.59126  229.144     90          31.0407     90          
1 1 1 12 0  2  o 89.3074 2.37541 43.6224      3.25624  43.6224      3.25624  34.3886     180         2.39087     180         
1 1 1 12 0  3  f 332.332 1.94509 601.566      9.95257  601.566      9.95257  323.489     270         0           0           
1 1 1 12 0  4  o 451.856 1.94476 1111.99      13.5306  1111.99      13.5306  470.92      180         41.1236     180         
1 1 1 12 0  5  o 496.746 1.95344 1343.9       14.9415  1343.9       14.9415  523.233     90          56.5288     90          
1 1 1 12 0  6  o 248.574 1.96496 336.619      7.5193   336.619      7.5193   343.614     180         192.025     180         
1 1 1 12 0  7  f 286.663 1.95007 447.642      8.60639  447.642      8.60639  204.684     270         0           0           
1 1 1 12 0  8  o 124.961 2.11798 85.1909      4.07026  85.1909      4.07026  160         180         102.062     180         
1 1 1 12 0  9  o 369.397 1.9432  743.257      11.0522  743.257      11.0522  423.156     90          111.382     90          
1 1 1 12 0  10 o 29.3915 4.88797 5.42063      1.92187  5.42063      1.92187  11.1505     180         29.2076     180         
1 1 1 12 0  11 o 10.9249 4.82022 0.384127     1.65278  0.384127     1.65278  143.482     270         295.054     270         
1 1 1 12 0  12 o 28.2565 5.22553 5.15358      1.96449  5.15358      1.96449  33.2298     180         86.8798     180         
1 1 1 12 0  13 o 28.4816 5.54183 5.31694      2.10154  5.31694      2.10154  25.122      90          68.4036     90          
1 1 1 12 0  14 o 199.537 2.28195 217.068      7.0075   217.068      7.0075   183.831     180         27.9725     8.589e-06   
1 1 1 12 0  15 o 155.69  2.01362 132.167      4.82392  132.167      4.82392  220.417     90          132.485     90          
1 1 1 12 0  16 o 256.417 1.95856 358.269      7.73143  358.269      7.73143  223.144     1.4535e-06  61.2233     180         
1 1 1 12 0  17 o 61.4653 2.57812 20.8037      2.42034  20.8037      2.42034  8.48195     270         102.599     90          
1 1 1 12 0  18 o 88.05   2.2496  42.4057      3.04113  42.4057      3.04113  4.27946     0           165.353     180         
1 1 1 12 0  19 o 85.3787 2.25454 39.8844      2.95473  39.8844      2.95473  93.7694     270         24.2391     270         
1 1 1 12 0  20 o 14.8524 5.47923 1.75434      1.63733  1.75434      1.63733  7.88128     8.74111e-06 17.161      8.74111e-06 
1 1 1 12 0  21 o 57.2883 2.69735 18.1272      2.35497  18.1272      2.35497  20.9697     270         154.04      270         
1 1 1 12 0  22 o 201.152 2.12047 220.621      6.56492  220.621      6.56492  194.676     180         6.09784     8.65056e-06 
1 1 1 12 0  23 o 74.1217 2.75769 30.2027      3.12759  30.2027      3.12759  90.3408     90          55.222      90          
1 1 1 12 0  24 o 14.621  5.60983 1.65271      1.77475  1.65271      1.77475  13.5531     180         31.3138     180         
1 1 1 12 0  25 o 103.137 2.399   58.1689      3.80072  58.1689      3.80072  127.027     90          52.1935     90          
1 1 1 12 0  26 o 57.2696 2.82052 18.146       2.45918  18.146       2.45918  47.8131     1.1998e-10  12.3286     180         
1 1 1 12 0  27 o 165.485 2.04469 149.383      5.20685  149.383      5.20685  209.914     270         96.8533     270         
1 1 1 12 0  28 o 252.949 1.98963 348.842      7.74771  348.842      7.74771  278.205     360         63.5352     360         
1 1 1 12 0  29 f 23.165  6.30957 4.01261      2.13166  4.01261      2.13166  17.832      89.9999     0           0           
1 1 1 12 0  30 o 187.358 2.30153 191.641      6.63564  191.641      6.63564  237.719     2.13954e-11 111.621     2.13954e-11 
1 1 1 12 0  31 o 86.7827 2.37345 41.2801      3.16098  41.2801      3.16098  84.0532     270         0.105927    90          
1 1 1 12 0  32 o 131.903 2.4612  95.1947      4.9912   95.1947      4.9912   104.592     360         46.0076     180         
1 1 1 12 0  33 o 53.0279 3.36072 15.7687      2.69114  15.7687      2.69114  17.4411     270         67.4999     90          
1 1 1 12 0  34 o 140.062 2.26023 107.325      4.86915  107.325      4.86915  71.9428     1.95517e-11 126.035     180         
1 1 1 12 0  35 o 101.051 2.63503 56.118       4.08763  56.118       4.08763  113         270         31.6577     270         
1 1 1 12 0  36 o 10.5999 4.82972 0.0521083    1.82132  0.0521083    1.82132  2.88599     180         7.86398     180         
1 1 1 12 0  37 o 29.4487 4.77714 5.49026      1.88649  5.49026      1.88649  24.5786     90          6.4749      270         
1 1 1 12 0  38 o 49.3328 3.5431  13.8488      2.62276  13.8488      2.62276  57.3327     180         20.4063     180         
1 1 1 12 0  39 o 18.1059 6.07045 2.73398      1.92209  2.73398      1.92209  4.9006      90          1.9193      270         
1 1 1 12 0  40 o 82.2965 2.35685 37.3714      2.97562  37.3714      2.97562  70.9931     360         14.5381     180         
1 1 1 12 0  41 o 8.99592 4.26826 -0.563901    1.66249  -0.563901    1.66249  1.22165     270         3.79715     270         
1 1 1 12 0  42 o 12.1093 5.12204 0.942573     1.69839  0.942573     1.69839  0.518391    8.332e-11   10.0354     180         
1 1 1 12 0  43 o 10.4747 4.73713 0.22614      1.71119  0.22614      1.71119  0.188501    270         11.0804     90          
1 1 1 12 0  44 o 12.0076 5.15575 0.881219     1.774    0.881219     1.774    1.60458     180         6.51711     8.65316e-06 
1 1 1 12 0  45 o 28.7484 5.20917 5.54084      1.99317  5.54084      1.99317  31.7232     270         10.0151     270         
1 1 1 12 0  46 o 13.0741 5.42864 1.29004      1.84471  1.29004      1.84471  1.03192     180         2.41027     8.6505e-06  
1 1 1 12 0  47 o 52.1713 3.04648 15.5444      2.40775  15.5444      2.40775  60.379      90          23.3055     90          
1 1 1 12 0  48 o 13.0863 5.56826 1.26741      2.03082  1.26741      2.03082  0.856577    180         18.5719     8.65145e-06 
1 1 1 12 0  49 o 60.5432 3.14719 21.1012      2.89687  21.1012      2.89687  79.615      90          46.781      90          
1 1 1 12 0  50 o 13.5449 5.62933 1.57039      1.98677  1.57039      1.98677  7.81456     360         0.706715    180         
1 1 1 12 0  51 o 56.7694 3.62956 19.1008      3.11028  19.1008      3.11028  53.3273     90          1.83797     90          
1 1 1 12 0  52 o 12.7    5.55739 1.20742      2.15212  1.20742      2.15212  1.4981      2.045e-10   0.248456    180         
1 1 1 12 0  53 o 34.8312 4.87288 8.10447      2.32328  8.10447      2.32328  28.597      90          6.72159     270         
1 1 1 12 0  54 o 40.733  5.15101 11.187       2.92347  11.187       2.92347  45.3524     6.10568e-12 16.196      6.10568e-12 
1 1 1 12 0  55 o 9.63645 4.60252 -0.29768     1.9942   -0.29768     1.9942   1.17363     90          7.69375     270         
1 1 1 12 0  56 o 12.8864 5.82473 1.3339       2.58292  1.3339       2.58292  6.47509     180         2.73014     8.6514e-06  
1 1 1 12 0  57 o 42.879  5.34632 12.7709      3.20244  12.7709      3.20244  58.9551     270         40.3131     270         
1 1 1 12 0  58 o 7.5653  3.82758 -2.39292     2.05122  -2.39292     2.05122  3.07878     8.60202e-06 9.94719     8.60202e-06 
1 1 1 12 0  59 o 8.07175 4.03911 -1.64362     2.06404  -1.64362     2.06404  0.11332     90          1.19825     90          
1 1 1 12 0  60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 1  0  o 248.238 1.96877 335.699      7.52366  335.699      7.52366  255.888     180         16.8235     180         
1 1 1 12 1  1  o 127.6   2.22763 83.7945      4.50768  93.8057      4.20929  111.711     173.497     7.59983     173.497     
1 1 1 12 1  2  o 58.9004 2.88198 19.9649      2.61715  18.0554      2.57525  55.7682     295.93      199.334     295.93      
1 1 1 12 1  3  o 210.988 2.06402 240.479      6.46245  244.516      6.94445  197.235     101.864     8.73956     281.864     
1 1 1 12 1  4  o 295.262 1.9481  480.408      8.87083  469.378      8.8435   291.615     105.746     6.79254     105.746     
1 1 1 12 1  5  o 185.115 2.0161  195.716      5.7526   177.834      5.7325   148.379     357.023     55.8611     177.023     
1 1 1 12 1  6  o 45.1667 3.33968 11.0206      2.26928  11.4723      2.30761  42.2375     145.166     134.859     145.166     
1 1 1 12 1  7  o 226.027 2.04963 260.539      7.30457  296.678      6.90944  261.268     205.507     89.3767     205.507     
1 1 1 12 1  8  o 90.5493 2.38278 45.4848      3.42725  44.0026      3.20532  63.3144     211.911     15.1704     31.9113     
1 1 1 12 1  9  o 226.431 2.11512 282.639      7.84857  276.07       6.8801   202.481     222.027     35.5351     42.0273     
1 1 1 12 1  10 o 166.093 2.09158 150.961      5.51731  149.657      5.17771  103.372     335.975     113.139     155.975     
1 1 1 12 1  11 o 102.877 2.18049 56.3162      3.44705  59.1504      3.45232  97.4535     257.277     19.9241     257.277     
1 1 1 12 1  12 o 214.053 2.03955 245.889      6.49887  253.467      6.94474  247.026     236.114     80.962      236.114     
1 1 1 12 1  13 o 149.698 2.11456 117.567      4.68546  126.77       5.0652   136.837     238.99      10.8005     58.9903     
1 1 1 12 1  14 o 122.051 2.08328 84.5477      3.92586  77.9377      3.89792  66.2103     50.7778     99.2705     230.778     
1 1 1 12 1  15 o 103.218 2.22279 54.4918      3.60946  61.8838      3.42283  112.676     174.715     44.6664     174.715     
1 1 1 12 1  16 o 153.362 2.01276 132.903      4.74787  123.56       4.75386  153.444     237.222     13.6373     237.222     
1 1 1 12 1  17 o 202.322 2.05297 233.433      6.20013  213.047      6.56048  179.396     75.711      34.5463     255.711     
1 1 1 12 1  18 o 65.8832 2.64729 24.8109      2.49966  22.7268      2.82066  27.8278     62.8949     56.0136     242.895     
1 1 1 12 1  19 o 23.2617 4.43967 4.60548      1.6895   1.23479      1.86288  6.63167     341.505     17.1327     341.505     
1 1 1 12 1  20 o 122.717 2.0876  82.318       3.95743  81.9018      3.93252  85.3527     154.524     61.2675     334.524     
1 1 1 12 1  21 o 36.5657 3.54428 8.30573      1.92538  6.63504      1.93672  28.9523     351.919     111.298     351.919     
1 1 1 12 1  22 o 211.136 1.97956 235.219      6.41627  251.016      6.45183  212.437     119.086     15.6541     119.086     
1 1 1 12 1  23 o 67.0102 2.52985 24.5623      2.58483  24.5926      2.61717  30.8259     188.71      58.423      8.70982     
1 1 1 12 1  24 o 48.9426 2.99066 11.8709      2.20615  14.5695      2.24116  18.6035     255.671     43.393      75.6708     
1 1 1 12 1  25 o 67.9915 2.55857 26.8903      2.69006  23.7733      2.64306  55.7414     101.536     7.24805     281.536     
1 1 1 12 1  26 o 165.543 2.1707  148.805      5.51125  150.228      5.55579  139.21      213.534     40.3918     33.5342     
1 1 1 12 1  27 o 50.1812 3.21925 15.5587      2.5971   12.3189      2.3224   31.8486     352.333     12.1827     172.333     
1 1 1 12 1  28 o 46.3411 3.4632  13.783       2.42499  10.1486      2.39491  21.6887     270.398     32.2413     90.398      
1 1 1 12 1  29 o 179.97  2.30861 187.637      6.4247   166.509      6.35783  178.415     132.921     10.2741     132.921     
1 1 1 12 1  30 o 20.3441 4.95637 3.07537      1.97522  0.804587     1.96931  0.812989    70.7871     4.43016     70.7871     
1 1 1 12 1  31 o 40.1208 3.63332 8.1956       2.18175  9.83888      2.18737  7.63508     192.912     53.8375     12.9115     
1 1 1 12 1  32 o 79.9708 2.98957 31.8774      3.84143  38.7146      3.40988  94.8821     345.656     45.5644     345.656     
1 1 1 12 1  33 o 71.9819 3.23539 26.6244      3.5562   30.7601      3.5645   47.794      212.376     37.9822     32.3764     
1 1 1 12 1  34 o 94.6306 2.45912 50.0983      3.56915  48.3206      3.58433  89.52       326.608     1.03373     326.608     
1 1 1 12 1  35 o 62.3218 2.64397 23.3736      2.53121  19.6105      2.50664  69.6572     109.638     26.9186     109.638     
1 1 1 12 1  36 o 87.2922 2.60129 43.1599      3.6457   41.0105      3.33099  94.8368     338.097     25.6534     338.097     
1 1 1 12 1  37 o 52.7343 3.42348 17.2736      2.72755  14.0919      2.74239  49.5136     145.315     1.81314     145.315     
1 1 1 12 1  38 o 27.2134 4.33504 1.82638      1.83135  7.17292      1.96691  22.18       58.2213     2.50376     58.2214     
1 1 1 12 1  39 o 20.9255 4.93179 2.32256      1.82858  2.6053       1.89648  8.45654     302.949     14.115      122.949     
1 1 1 12 1  40 o 25.1833 4.39735 0.543594     1.9641   6.83947      2.03454  16.439      45.8285     7.88612     225.829     
1 1 1 12 1  41 o 72.3916 2.4914  30.8144      2.78003  27.6129      2.75266  77.5239     107.672     20.0995     107.672     
1 1 1 12 1  42 o 37.2451 3.656   7.73199      2.04734  8.38082      2.02899  26.3523     213.89      14.9609     33.8896     
1 1 1 12 1  43 o 26.5128 4.46658 1.91786      1.83077  6.89463      2.04057  19.1069     33.4673     8.32322     213.467     
1 1 1 12 1  44 o 27.3217 4.59871 5.17607      1.92491  4.10512      1.8995   24.4801     357.478     2.77334     357.478     
1 1 1 12 1  45 o 21.6396 4.50263 0.519068     1.8448   4.85149      1.86048  16.1163     344.763     6.53307     344.763     
1 1 1 12 1  46 o 39.8253 3.79411 12.2218      2.20533  7.00316      2.17008  45.2908     346.901     20.821      346.901     
1 1 1 12 1  47 o 18.8631 4.90548 2.58253      1.91264  1.42154      1.88146  11.2394     314.01      1.98013     134.01      
1 1 1 12 1  48 f 43.3737 3.63114 10.9551      2.37759  11.7716      2.37524  20.5068     105.655     0           0           
1 1 1 12 1  49 o 17.5069 4.66052 -1.1238      2.01052  3.39585      1.98492  11.4537     117.88      1.79499     297.88      
1 1 1 12 1  50 o 30.998  5.00912 6.20765      2.14842  7.07996      2.53006  36.3463     121.386     20.3714     121.386     
1 1 1 12 1  51 o 24.9022 5.5526  6.86709      2.59036  2.21468      2.70421  21.6059     71.9178     2.34478     71.9177     
1 1 1 12 1  52 o 47.3376 3.64781 13.2208      2.50624  15.0494      2.72733  49.5576     83.7731     14.0105     83.7731     
1 1 1 12 1  53 o 14.3207 4.68361 -0.370279    2.426    -0.342204    2.44127  6.89137     286.913     2.59776     286.913     
1 1 1 12 1  54 o 25.2375 5.54766 3.52487      2.31904  7.08287      2.62666  26.9285     158.772     13.8746     158.772     
1 1 1 12 1  55 o 38.4031 5.31596 10.9875      2.88529  11.7962      3.17555  35.5571     43.3825     3.47674     43.3826     
1 1 1 12 1  56 o 28.2713 5.37758 7.17397      2.34859  5.96456      2.4772   24.7829     315.32      1.67023     315.32      
1 1 1 12 1  57 o 20.3588 5.32999 2.00786      2.33479  4.90621      2.34683  14.0115     280.894     0.262826    280.894     
1 1 1 12 1  58 o 20.6059 5.56391 3.57918      2.65791  4.31233      2.33696  9.10332     6.14408     14.3247     186.144     
1 1 1 12 1  59 o 13.2129 4.37649 0.388949     2.30992  -0.350215    2.15127  3.14382     306.228     0.106468    306.228     
1 1 1 12 1  60 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 2  0  o 56.9463 2.99263 17.9562      2.59019  17.9562      2.59019  55.2038     180         205.972     180         
1 1 1 12 2  1  o 175.63  2.19562 171.131      6.3613   164.982      5.49771  213.686     319.664     114.782     319.664     
1 1 1 12 2  2  o 54.5697 3.1876  12.8419      2.62899  20.2784      2.54119  42.6923     287.928     158.07      287.928     
1 1 1 12 2  3  o 94.4512 2.47729 43.5615      3.53754  54.0749      3.63387  36.3585     185.725     84.6976     5.72527     
1 1 1 12 2  4  o 216.805 2.21218 266.6        7.67572  245.775      7.09829  189.124     281.845     39.2062     101.845     
1 1 1 12 2  5  o 162.298 2.37413 148.389      6.40715  138.737      5.4481   109.64      6.14659     87.9132     186.147     
1 1 1 12 2  6  o 138.03  2.31534 101.476      5.0645   106.17       4.76483  85.7918     213.417     85.7095     33.4166     
1 1 1 12 2  7  o 181.504 2.07831 188.345      6.02496  170.821      5.59525  127.684     286.428     93.4272     106.428     
1 1 1 12 2  8  o 370.879 2.00799 755.918      11.8539  742.844      11.0747  392.084     244.797     53.8283     244.797     
1 1 1 12 2  9  o 240.954 1.96008 319.339      7.28063  313.277      7.2645   258.326     342.872     48.5291     342.872     
1 1 1 12 2  10 o 102.742 2.19534 59.9675      3.47343  55.227       3.46116  94.0086     16.8595     12.7385     16.8595     
1 1 1 12 2  11 o 105.323 2.1822  57.4858      3.51779  63.5953      3.54761  99.6216     216.675     16.3638     216.675     
1 1 1 12 2  12 o 289.729 1.94706 463.707      8.69237  451.092      8.68021  283.99      272.564     0.16496     92.564      
1 1 1 12 2  13 o 65.1997 2.54018 20.6997      2.52377  25.9445      2.53269  5.67367     23.534      124.705     23.5341     
1 1 1 12 2  14 o 286.631 2.09462 451.149      8.59709  444.396      9.84154  270.269     227.296     21.7503     47.2963     
1 1 1 12 2  15 o 234.644 2.02816 302.155      7.09006  297.991      7.55559  225.565     111.458     7.02019     291.458     
1 1 1 12 2  16 o 113.104 2.12568 73.2239      3.71532  66.4199      3.67767  85.5588     325.973     41.1431     145.973     
1 1 1 12 2  17 o 213.176 1.96445 247.252      6.44684  248.117      6.45043  205.221     205.438     3.91465     25.438      
1 1 1 12 2  18 o 178.468 2.15074 178.635      5.50315  168.74       6.26786  82.7883     344.945     181.252     164.945     
1 1 1 12 2  19 o 327.032 1.94257 588.246      9.79034  577.752      9.77452  353.534     124.991     67.3256     124.991     
1 1 1 12 2  20 o 61.8549 2.59637 19.4853      2.43926  22.4706      2.47727  36.6473     228.125     19.0487     48.1252     
1 1 1 12 2  21 o 28.3261 4.27038 2.89431      1.7849   6.41884      1.87633  22.5559     236.483     71.7269     236.483     
1 1 1 12 2  22 o 148.601 2.17457 116.64       4.63968  124.295      5.30738  122.303     279.858     40.4831     99.8579     
1 1 1 12 2  23 o 122.811 2.17582 81.3165      3.96948  83.2793      4.25451  96.8939     181.405     40.1739     1.40482     
1 1 1 12 2  24 o 51.5463 3.03953 14.3863      2.47166  14.8562      2.30281  34.7206     62.4031     8.26829     242.403     
1 1 1 12 2  25 o 82.0413 2.42132 36.5574      3.05077  37.0411      3.05363  47.9436     34.9533     56.2381     214.953     
1 1 1 12 2  26 o 42.8309 3.31751 10.6736      2.15947  9.65144      2.14099  18.8029     127.587     18.512      307.587     
1 1 1 12 2  27 o 34.2298 4.12428 5.30111      2.07386  8.04543      2.0717   11.4181     166.811     74.4985     166.811     
1 1 1 12 2  28 o 84.5991 2.63731 39.575       3.60353  38.8033      3.2446   63.3438     303.473     30.5738     123.473     
1 1 1 12 2  29 o 95.837  2.587   48.8229      3.78871  51.7749      3.83161  71.4228     343.074     38.2681     163.074     
1 1 1 12 2  30 o 75.0123 2.72693 31.5983      3.25601  30.1699      3.02237  52.777      238.881     34.2688     58.8813     
1 1 1 12 2  31 o 73.9176 2.76016 27.7382      3.19744  32.3922      3.03306  71.431      55.1537     7.67075     55.1538     
1 1 1 12 2  32 o 54.0298 3.74433 16.7593      3.27592  15.772       2.87042  45.4257     337.195     2.33032     157.195     
1 1 1 12 2  33 o 68.9439 2.9985  26.5675      3.1768   25.9228      3.15899  62.2691     310.482     1.33289     130.482     
1 1 1 12 2  34 o 30.8258 4.4426  4.96698      1.89593  6.04168      2.18267  8.27526     286.135     32.2051     106.135     
1 1 1 12 2  35 o 54.3371 2.91045 17.3122      2.49906  15.4767      2.33589  55.7336     271.757     14.6213     271.757     
1 1 1 12 2  36 o 29.3136 4.55549 5.32303      2.01188  4.75578      1.98972  4.4396      241.609     41.8166     61.6093     
1 1 1 12 2  37 o 92.1487 2.69757 50.3979      3.85972  43.8173      3.77055  101.104     24.7679     28.2545     24.7679     
1 1 1 12 2  38 o 60.1011 2.92465 17.5976      2.6705   22.9171      2.67026  42.4502     327.326     27.4667     147.326     
1 1 1 12 2  39 o 70.0904 2.49339 27.3577      2.67424  27.2011      2.69068  73.8786     170.946     16.9896     170.946     
1 1 1 12 2  40 o 15.5148 4.49373 -0.95195     1.77479  1.5912       1.85186  0.699818    47.7296     17.7456     227.73      
1 1 1 12 2  41 f 41.6687 3.54343 8.73398      2.27194  11.2931      2.11494  35.9876     24.821      0           0           
1 1 1 12 2  42 o 12.1296 3.92549 -0.487023    1.65198  -1.54201     1.67349  0.56525     167.89      8.51345     347.89      
1 1 1 12 2  43 o 24.5108 4.74874 2.75582      1.87647  4.65441      1.89212  22.7003     14.2863     5.11641     14.2863     
1 1 1 12 2  44 o 23.5065 4.80118 2.4526       1.89224  4.40446      1.88135  12.6678     136.479     14.5986     316.479     
1 1 1 12 2  45 o 14.5575 4.3886  -0.278952    1.78821  0.774228     1.72207  0.380465    29.9723     21.6032     29.9723     
1 1 1 12 2  46 o 28.4721 4.61366 4.19974      2.00798  6.052        1.97676  27.7838     172.566     9.38765     172.566     
1 1 1 12 2  47 o 47.7242 3.52836 12.9884      2.44837  14.0507      2.6618   59.1046     35.1864     33.3823     35.1864     
1 1 1 12 2  48 o 19.2457 5.03588 2.70518      2.01866  1.73646      1.96796  12.013      34.4802     3.93918     34.4803     
1 1 1 12 2  49 o 18.416  4.97533 2.52677      1.9858   1.43541      1.99036  11.8737     191.699     4.16493     11.6985     
1 1 1 12 2  50 o 24.7272 5.45766 4.52003      2.36456  4.40353      2.24459  13.3762     161.082     16.1213     341.082     
1 1 1 12 2  51 o 19.0639 5.2952  1.16165      2.46873  3.19747      2.25616  12.7249     218.464     5.68309     218.464     
1 1 1 12 2  52 o 15.6889 5.00731 0.442196     2.41786  0.175545     2.72643  8.83123     221.122     3.73602     41.1225     
1 1 1 12 2  53 o 15.1712 4.65259 1.0715       2.01329  0.587409     2.01619  9.65011     79.0934     3.79475     79.0934     
1 1 1 12 2  54 o 25.9247 5.34873 4.96241      2.35167  5.73213      2.21289  28.62       85.2853     16.316      85.2853     
1 1 1 12 2  55 o 18.9743 5.49284 3.33313      2.59394  2.33058      2.53382  15.2985     251.257     3.61598     251.256     
1 1 1 12 2  56 o 19.1127 5.48091 3.55042      2.50133  2.50077      2.56987  14.62       126.274     6.1776      126.274     
1 1 1 12 2  57 o 21.0738 5.3997  5.55413      2.43894  1.96833      2.42672  14.5279     309.242     5.31171     309.242     
1 1 1 12 2  58 o 16.3995 4.96254 2.65036      2.2593   0.980016     2.28088  6.03701     189.727     0.832645    189.727     
1 1 1 12 2  59 o 13.9738 4.49895 -0.281725    2.16848  1.50895      2.15493  6.82384     247.488     0.00983277  247.492     
1 1 1 12 3  0  o 58.4698 3.65714 19.0625      3.23082  19.0625      3.23082  12.9042     180         105.891     180         
1 1 1 12 3  1  o 338.377 2.34147 635.161      12.7412  612.63       11.6521  401.87      141.347     142.711     141.347     
1 1 1 12 3  2  o 224.424 2.19576 276.051      7.85408  272.748      7.31597  224.965     216.509     18.8099     216.509     
1 1 1 12 3  3  o 153.283 2.20341 136.082      5.20429  120.179      5.18372  123.445     188.971     38.5787     8.97119     
1 1 1 12 3  4  o 349.495 2.07487 685.486      11.1735  645.67       11.1529  352.508     81.4948     18.618      81.4948     
1 1 1 12 3  5  o 113.583 2.3352  65.9024      4.05234  74.9527      4.09775  57.8236     325.065     90.42       145.065     
1 1 1 12 3  6  o 212.353 2.11937 243.039      6.92268  248.332      6.93755  274.942     357.144     149.049     357.144     
1 1 1 12 3  7  o 213.495 2.1196  256.225      6.9837   240.57       6.9489   199.928     329.1       12.9657     149.1       
1 1 1 12 3  8  o 215.631 2.118   243.212      7.0081   263.672      7.05047  157.884     286.04      103.904     106.04      
1 1 1 12 3  9  o 54.5841 3.12732 16.0906      2.52357  16.6233      2.68817  3.96568     197.231     58.5613     17.2307     
1 1 1 12 3  10 o 338.075 2.27972 637.329      10.855   608.601      12.7561  320.341     311.335     24.2318     131.335     
1 1 1 12 3  11 o 117.142 2.28533 75.8533      4.12892  73.8466      4.10776  134.143     123.36      67.4484     123.36      
1 1 1 12 3  12 o 121.005 2.18693 84.7357      4.2389   75.1154      3.90655  92.9343     17.627      39.99       197.627     
1 1 1 12 3  13 o 129.387 2.07945 92.1018      4.14656  90.3748      4.13946  117.769     224.616     7.0028      44.6156     
1 1 1 12 3  14 o 79.1682 2.34934 30.5889      2.8443   38.0763      2.84476  33.984      89.7434     22.1443     89.7434     
1 1 1 12 3  15 o 236.632 1.95487 301.102      7.11738  309.249      7.1284   302.577     102.347     146.403     102.347     
1 1 1 12 3  16 o 38.6211 3.41945 6.74479      1.94827  9.96265      1.96154  24.3139     74.0203     103.488     74.0203     
1 1 1 12 3  17 o 176.356 1.97945 164.158      5.35579  174.975      5.39236  128.936     136.412     83.4416     316.412     
1 1 1 12 3  18 o 145.959 2.03322 114.186      4.5619   118.107      4.57711  164.396     191.671     54.1567     191.671     
1 1 1 12 3  19 o 45.7221 3.03535 13.8317      2.08434  9.41579      2.07317  8.45391     247.589     29.3361     67.589      
1 1 1 12 3  20 o 144.998 2.03184 116.192      4.5388   113.079      4.53404  168.906     241.812     65.831      241.812     
1 1 1 12 3  21 o 200.16  1.98667 209.515      6.11001  227.546      6.12975  211.748     14.2338     37.1266     14.2338     
1 1 1 12 3  22 o 141.745 2.05133 105.409      4.46259  113.796      4.4884   125.992     236.185     18.8865     56.1848     
1 1 1 12 3  23 o 89.6638 2.29089 48.4381      3.14631  39.6209      3.14513  110.814     307.229     68.4986     307.229     
1 1 1 12 3  24 o 83.84   2.4225  37.6679      3.21332  39.1902      3.02067  93.6387     162.921     40.0746     162.921     
1 1 1 12 3  25 o 141.301 2.15219 109.95       4.55225  107.893      4.80735  130.703     208.021     8.53928     28.0207     
1 1 1 12 3  26 o 85.1829 2.50206 40.3882      3.0876   38.9952      3.44478  62.8778     198.849     31.231      18.8488     
1 1 1 12 3  27 o 85.2848 2.45858 40.6203      3.12977  38.964       3.30696  87.3262     1.67842     20.4597     1.67842     
1 1 1 12 3  28 o 164.792 2.27146 147.647      5.54617  148.915      5.97566  177.643     264.731     39.5273     264.731     
1 1 1 12 3  29 o 206.545 2.29137 231.796      7.28554  234.335      7.29003  206.981     131.636     15.7205     131.636     
1 1 1 12 3  30 o 86.817  2.49168 39.5542      3.309    43.0728      3.33577  74.7788     255.752     13.0404     75.7524     
1 1 1 12 3  31 o 39.5615 4.32369 8.39256      2.5584   9.32687      2.53277  25.9944     247.616     5.82951     67.6161     
1 1 1 12 3  32 o 57.2695 3.37191 18.8157      2.95427  17.5691      2.93676  39.0285     330.297     24.3756     150.297     
1 1 1 12 3  33 o 94.7526 2.42431 48.9697      3.53965  49.6083      3.523    87.6445     115.4       2.58598     295.4       
1 1 1 12 3  34 o 114.018 2.54735 68.4596      4.78994  74.5836      4.07576  111.277     352.709     6.63837     352.709     
1 1 1 12 3  35 o 42.1327 3.86365 11.3296      2.62014  8.85867      2.27689  39.5856     216.332     8.21493     216.332     
1 1 1 12 3  36 o 44.2025 3.65733 8.79498      2.43528  13.5551      2.29778  38.2595     200.369     2.62428     20.3688     
1 1 1 12 3  37 o 33.8617 3.98353 8.80888      1.97618  4.71563      1.93703  19.7861     250.919     20.5996     70.9195     
1 1 1 12 3  38 o 64.7501 2.79444 23.7303      2.76364  22.9969      2.78147  65.5131     75.0358     10.5285     75.0359     
1 1 1 12 3  39 o 81.0019 2.72187 39.7092      3.21435  33.5382      3.50348  73.1633     303.24      5.8358      123.24      
1 1 1 12 3  40 o 58.5636 2.73129 19.4573      2.42999  18.9372      2.46759  49.7401     200.785     9.22571     20.7853     
1 1 1 12 3  41 o 38.3363 4.23757 7.09592      2.48942  10.3409      2.2203   24.6923     262.375     20.0677     82.3755     
1 1 1 12 3  42 o 43.4929 3.42492 12.4163      2.33699  9.43735      2.15725  30.3637     301.656     19.3235     121.656     
1 1 1 12 3  43 o 41.6459 3.52758 10.7715      2.14136  9.40073      2.26736  39.5263     331.403     3.10161     331.403     
1 1 1 12 3  44 o 26.3174 4.7522  4.69071      1.92667  3.99981      1.94638  21.9524     352.877     0.0840033   172.877     
1 1 1 12 3  45 o 36.1493 3.96384 9.18708      2.12431  6.62437      2.10191  30.6139     241.467     3.04868     61.4674     
1 1 1 12 3  46 o 43.8697 3.36013 10.6446      2.23008  11.9         2.22995  40.5845     14.4579     2.11784     14.458      
1 1 1 12 3  47 o 54.5996 3.10446 17.9886      2.59417  16.757       2.57968  63.8345     175.621     28.8404     175.621     
1 1 1 12 3  48 o 15.5715 4.71821 0.220705     1.92506  0.968691     2.11922  4.02189     233.812     14.6074     53.8121     
1 1 1 12 3  49 o 23.9519 5.53658 4.38091      2.34017  3.85301      2.37061  16.5815     345.993     7.22543     165.993     
1 1 1 12 3  50 o 44.3458 4.36704 13.8844      2.74432  11.6494      2.98446  41.9763     174.457     3.98093     174.457     
1 1 1 12 3  51 o 32.7226 4.98838 8.07969      2.43637  6.9164       2.44596  37.2509     153.872     19.504      153.872     
1 1 1 12 3  52 o 15.7035 4.85254 0.463454     2.2087   1.11295      2.24586  8.96757     186.262     4.42592     6.26151     
1 1 1 12 3  53 o 23.4509 5.0594  6.81952      2.2723   0.815475     2.71467  24.4481     67.6608     11.2218     67.6608     
1 1 1 12 3  54 o 17.5298 5.24435 1.39517      2.78346  2.34729      2.21733  13.1425     115.691     1.96082     115.691     
1 1 1 12 3  55 o 19.065  5.11898 1.77182      2.15147  3.79012      2.13641  16.0669     44.8532     5.69094     44.8532     
1 1 1 12 3  56 o 21.3328 5.57997 2.9692       2.54379  5.05394      2.4683   15.1752     335.002     3.27203     155.002     
1 1 1 12 3  57 o 21.7318 5.40664 4.40567      2.23404  3.80946      2.27285  15.8939     325.332     4.11354     325.332     
1 1 1 12 3  58 o 17.499  5.15371 2.577        2.26178  2.52249      2.34216  10.3422     101.074     1.54545     281.074     
1 1 1 12 3  59 o 14.6576 4.66832 -0.0433652   2.30895  1.96965      2.23068  8.61034     6.79611     1.66508     186.796     
1 1 1 12 4  0  o 138.44  2.39995 104.577      5.10933  104.577      5.10933  167.599     180         63.4755     180         
1 1 1 12 4  1  o 120.891 2.45032 80.3469      4.55821  79.0644      4.55518  99.7345     227.561     14.5692     47.5612     
1 1 1 12 4  2  o 363.516 2.2688  722.524      11.6212  717.475      13.6873  433.056     165.597     153.777     165.597     
1 1 1 12 4  3  o 172.785 2.36374 161.99       5.73423  163.37       6.803    152.334     185.304     22.9654     5.30418     
1 1 1 12 4  4  o 171.091 2.25263 152.208      5.67649  166.952      6.19623  169.593     38.567      16.5561     38.567      
1 1 1 12 4  5  o 167.275 2.37131 146.734      5.5598   158.33       6.64285  179.993     95.856      46.4992     95.856      
1 1 1 12 4  6  o 249.479 2.30475 352.154      8.09139  326.405      9.49776  187.08      168.471     113.427     348.471     
1 1 1 12 4  7  o 113.205 2.40578 76.7815      4.02848  63.3515      4.29057  85.9602     54.7357     33.3339     234.736     
1 1 1 12 4  8  o 56.9568 2.96056 17.5887      2.56696  17.9839      2.58996  41.9678     86.603      179.972     86.603      
1 1 1 12 4  9  o 169.903 2.16754 167.401      5.68504  147.527      5.64251  153.681     34.368      17.443      214.368     
1 1 1 12 4  10 o 195.736 2.11784 195.422      6.34458  222.584      6.40585  155.947     76.6206     67.2527     256.621     
1 1 1 12 4  11 o 126.376 2.23693 91.4705      4.35883  82.7898      4.33643  102.917     11.1757     30.5451     191.176     
1 1 1 12 4  12 o 201.776 2.12213 217.879      6.58915  225.945      6.59682  217.255     45.1226     45.0729     45.1226     
1 1 1 12 4  13 o 71.8916 2.59846 26.9131      2.87865  29.6379      2.84869  54.5811     356.43      0.00569499  356.424     
1 1 1 12 4  14 o 110.241 2.22242 69.6107      3.90287  63.0787      3.63649  128.979     143.315     62.7117     143.315     
1 1 1 12 4  15 o 242.957 1.95088 316.582      7.29485  326.87       7.30142  255.141     254.061     37.1967     254.061     
1 1 1 12 4  16 f 26.6975 4.37617 2.22076      1.76147  6.04173      1.90588  52.9851     57.9351     0           0           
1 1 1 12 4  17 o 296.708 1.94039 478.758      8.86656  480.956      8.86458  322.858     147.841     66.6711     147.841     
1 1 1 12 4  18 o 64.5389 2.52277 21.3271      2.49361  24.3083      2.49276  41.6391     251.085     13.8712     71.0846     
1 1 1 12 4  19 o 134.081 2.13702 97.2526      4.24337  98.812       4.57737  128.482     206.281     4.8117      206.281     
1 1 1 12 4  20 o 169.873 1.99931 159.691      5.24004  154.991      5.21919  124.681     203.951     78.0245     23.9511     
1 1 1 12 4  21 f 86.0126 2.28459 41.2528      3.01348  39.5828      3.02635  74.906      105.249     0           0           
1 1 1 12 4  22 o 80.2103 2.37138 32.667       2.89656  37.7558      2.93973  55.3166     13.5265     35.5903     193.527     
1 1 1 12 4  23 f 101.325 2.37956 59.9404      3.71743  52.3608      3.68697  94.5119     304.96      0           0           
1 1 1 12 4  24 o 135.026 2.09932 102.365      4.37404  96.5652      4.35377  140.638     250.589     24.9108     250.589     
1 1 1 12 4  25 o 22.867  4.67647 1.5476       1.82629  4.17107      1.84031  13.8357     204.416     43.9311     204.416     
1 1 1 12 4  26 o 33.6168 4.08471 6.10432      2.03747  6.65019      2.0372   3.24432     317.155     11.1794     137.155     
1 1 1 12 4  27 o 42.5237 3.46983 10.3896      2.22983  9.69001      2.22853  1.54205     267.334     75.1998     267.334     
1 1 1 12 4  28 o 99.8132 2.51402 49.7002      3.97625  59.552       3.68232  85.8151     51.0512     16.264      231.051     
1 1 1 12 4  29 o 133.237 2.40712 102.069      4.93686  92.1975      4.9266   127.849     331.964     1.3071      331.964     
1 1 1 12 4  30 o 78.1761 3.16895 37.6007      3.43256  29.9109      4.02782  62.8835     59.9914     19.3705     239.991     
1 1 1 12 4  31 o 45.7807 4.13314 13.9357      2.6896   9.7868       2.87512  21.5976     106.225     35.8657     286.225     
1 1 1 12 4  32 o 113.707 2.32771 70.8693      4.07923  70.8688      4.06365  105.097     100.51      4.73075     280.51      
1 1 1 12 4  33 o 53.9431 3.27364 17.6921      2.68644  14.7147      2.68011  58.2359     263.827     41.7326     263.827     
1 1 1 12 4  34 o 67.0227 2.93026 24.4422      3.01451  25.2808      3.0035   63.335      39.8795     3.57159     39.8795     
1 1 1 12 4  35 f 122.188 2.13012 77.4414      3.98914  86.6065      4.01496  121.844     29.2356     0           0           
1 1 1 12 4  36 o 28.4935 4.49148 4.59843      1.98355  4.94063      1.858    20.4615     356.288     4.58906     176.288     
1 1 1 12 4  37 o 50.535  2.93842 13.2573      2.28472  15.3351      2.23278  59.5053     167.085     28.0787     167.085     
1 1 1 12 4  38 o 22.6734 4.91994 2.4339       2.04079  3.49528      1.78805  10.6324     86.8602     13.8005     266.86      
1 1 1 12 4  39 o 26.8315 4.74559 1.20442      2.36697  7.1307       2.11364  21.1335     271.753     0.0311997   91.7525     
1 1 1 12 4  40 o 64.7707 2.96636 20.4885      2.98644  26.8866      2.8256   53.6267     324.063     13.3645     144.063     
1 1 1 12 4  41 o 52.4012 2.92929 13.9745      2.31122  17.083       2.36246  54.1109     130.742     12.0709     130.742     
1 1 1 12 4  42 o 39.6585 3.77606 8.00851      2.20097  10.4258      2.26443  46.9743     107.836     23.4141     107.836     
1 1 1 12 4  43 o 36.3778 3.94549 7.80635      2.23095  7.90513      2.04128  41.2522     204.713     18.4612     204.713     
1 1 1 12 4  44 f 15.7849 4.48879 -0.528783    1.75389  1.85182      1.78713  20.6022     59.9343     0           0           
1 1 1 12 4  45 o 77.949  2.5746  31.2011      2.93538  37.6868      3.22821  90.9783     7.72635     38.1114     7.72635     
1 1 1 12 4  46 o 15.3086 4.57979 -0.114593    1.80328  1.07865      1.95296  2.4851      331.641     15.6607     151.641     
1 1 1 12 4  47 o 30.8846 4.806   5.66046      2.12193  6.73987      2.3288   21.6975     11.7688     10.5397     191.769     
1 1 1 12 4  48 o 24.2397 5.21551 4.03739      2.07294  4.04807      2.16904  14.3775     13.8529     12.2481     193.853     
1 1 1 12 4  49 o 19.121  5.26131 3.60371      2.45704  0.647174     2.17491  8.02048     19.376      15.5569     199.376     
1 1 1 12 4  50 o 20.4862 5.63949 1.79131      2.61353  3.74697      2.61266  11.3338     225.743     10.9198     45.7429     
1 1 1 12 4  51 o 14.3422 4.50672 0.359814     2.04036  0.0650481    1.94741  4.55418     343.885     10.4519     163.885     
1 1 1 12 4  52 o 23.6455 5.80266 5.13393      2.78352  4.00288      2.37814  15.0906     151.312     9.90567     331.312     
1 1 1 12 4  53 o 18.1394 5.35043 1.66926      2.21015  2.75843      2.74716  5.57874     301.329     19.0843     121.329     
1 1 1 12 4  54 o 40.2176 4.05544 10.1806      2.41158  11.6772      2.45998  37.9205     101.532     4.51473     101.532     
1 1 1 12 4  55 f 28.2816 5.14285 5.25618      2.29818  7.46002      2.27803  18.3819     17.6599     0           0           
1 1 1 12 4  56 f 20.8685 5.38939 3.50263      2.26495  4.02027      2.25272  7.01907     199.213     0           0           
1 1 1 12 4  57 o 18.6997 5.11392 -0.168263    2.38195  5.00085      2.41168  8.70328     262.863     1.94094     262.863     
1 1 1 12 4  58 o 14.9505 4.70621 0.890585     2.1943   1.50765      2.18488  6.75197     230.093     2.38742     50.0932     
1 1 1 12 4  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 5  0  o 150.933 2.37196 124.267      5.50676  124.267      5.50676  206.269     360         114.915     360         
1 1 1 12 5  1  o 121.646 2.74518 84.0848      4.5926   77.4781      5.58247  0.570437    357.345     232.128     357.345     
1 1 1 12 5  2  o 305.698 2.49022 496.047      10.5018  522.753      12.8783  362.58      338.74      128.869     338.74      
1 1 1 12 5  3  o 175.267 2.3625  164.828      5.82651  169.996      6.89617  51.4223     307.899     236.71      127.899     
1 1 1 12 5  4  o 90.7171 2.37014 43.9352      3.18646  45.8953      3.42377  69.873      334.251     7.85686     154.251     
1 1 1 12 5  5  o 96.5305 2.33401 50.6304      3.35979  51.0504      3.56651  65.9132     179.538     36.8062     359.538     
1 1 1 12 5  6  o 161.078 2.10458 142.916      5.03288  139.844      5.39683  175.771     326.089     49.5731     326.089     
1 1 1 12 5  7  o 130.174 2.38008 88.7303      4.1657   96.1338      5.33896  150.664     17.7285     70.438      17.7285     
1 1 1 12 5  8  o 164.912 2.29202 141.281      5.12203  155.335      6.49303  141.633     343.982     31.7415     163.982     
1 1 1 12 5  9  o 335.039 2.01226 616.927      10.0259  606.428      10.7193  313.575     261.19      30.2719     81.1903     
1 1 1 12 5  10 o 312.27  2.01402 544.636      9.3546   518.29       9.98434  257.696     236.517     97.1002     56.5167     
1 1 1 12 5  11 o 67.7019 2.67348 26.0824      2.79137  24.0864      2.75864  33.1803     348.909     10.9763     348.909     
1 1 1 12 5  12 o 182.861 2.13396 176.319      5.99918  188.293      6.01428  172.432     199.696     7.76922     19.6956     
1 1 1 12 5  13 o 115.81  2.27288 73.0747      4.05079  73.2736      4.04803  82.2012     203.121     53.4954     23.1208     
1 1 1 12 5  14 o 159.689 2.15641 141.554      5.30465  136.493      5.29949  167.027     169.396     29.6208     169.396     
1 1 1 12 5  15 o 109.529 2.29621 61.8251      3.8552   69.2192      3.87352  118.402     15.8237     39.8929     15.8237     
1 1 1 12 5  16 o 119.428 2.17468 77.6065      4.13104  77.9802      3.85839  126.506     191.501     33.7127     191.501     
1 1 1 12 5  17 o 277.932 1.94427 422.525      8.32269  419.618      8.31958  273.582     110.175     5.99656     110.175     
1 1 1 12 5  18 o 184.384 1.997   186.371      5.6634   184.321      5.67662  155.771     182.11      43.4763     2.10979     
1 1 1 12 5  19 o 154.094 2.08717 122.297      4.79509  136.858      5.11109  167.113     73.2173     42.2968     73.2173     
1 1 1 12 5  20 o 122.869 2.10329 79.026       3.95037  85.7474      4.00239  76.868      148.311     79.6689     328.311     
1 1 1 12 5  21 f 101.018 2.18916 56.9265      3.40401  54.5107      3.3976   65.9871     53.1286     0           0           
1 1 1 12 5  22 o 59.0154 2.69623 18.4947      2.42004  19.7064      2.45325  49.9072     270.863     7.69853     270.863     
1 1 1 12 5  23 o 54.9424 2.8681  15.9946      2.39808  17.1746      2.41905  39.8802     285.134     6.5422      105.134     
1 1 1 12 5  24 o 27.7262 4.58042 4.74918      1.93496  4.03965      1.90946  5.53656     260.953     31.572      260.953     
1 1 1 12 5  25 o 201.841 2.00061 223.993      6.2165   220.456      6.21948  217.588     358.681     47.199      358.681     
1 1 1 12 5  26 o 81.8508 2.42656 34.566       3.04435  38.7928      3.05156  94.3684     191.609     46.7476     191.609     
1 1 1 12 5  27 o 131.232 2.25947 88.9871      4.55434  99.2772      4.5638   169.418     186.396     92.7123     186.396     
1 1 1 12 5  28 o 122.61  2.3784  76.7217      4.28117  87.8868      4.69446  151.529     190.214     72.2204     190.214     
1 1 1 12 5  29 o 25.0282 5.30859 2.94841      2.21664  4.07328      2.23024  1.25513     271.248     29.349      271.248     
1 1 1 12 5  30 o 30.7588 5.28537 4.23771      2.51128  6.75135      2.5046   5.77645     108.135     2.83308     288.135     
1 1 1 12 5  31 o 115.959 2.47597 72.5562      4.41838  74.9089      4.4129   110.055     213.569     1.22847     213.57      
1 1 1 12 5  32 o 39.3702 3.97918 8.72301      2.41237  8.79378      2.27197  12.0018     228.863     43.1685     48.8625     
1 1 1 12 5  33 o 125.36  2.53133 88.1352      4.70903  84.6279      5.03962  121.153     196.519     4.74432     196.519     
1 1 1 12 5  34 o 47.3458 3.32317 12.9091      2.3313   12.1666      2.44281  31.4368     272.684     22.0624     92.6835     
1 1 1 12 5  35 o 58.3709 2.78848 19.625       2.38913  18.1978      2.57927  73.9837     50.6932     44.3947     50.6932     
1 1 1 12 5  36 o 29.7492 4.36797 5.6967       1.87025  4.68823      1.99845  26.5907     325.262     6.7885      325.262     
1 1 1 12 5  37 o 32.9997 3.95681 6.34612      1.91393  6.26893      1.96331  22.4334     196.46      12.9193     16.4601     
1 1 1 12 5  38 o 44.0958 3.19435 11.4655      2.1291   10.5241      2.14312  41.4116     135.821     3.30857     135.821     
1 1 1 12 5  39 o 54.6732 2.84649 18.4783      2.40439  15.1434      2.34127  43.3225     246.843     14.4242     66.8426     
1 1 1 12 5  40 o 58.3052 3.01625 22.0849      2.66639  16.445       2.66219  54.1682     68.6084     0.676324    68.6082     
1 1 1 12 5  41 o 83.1407 2.58031 37.1315      3.28556  40.1611      3.30193  95.985      20.5508     36.9587     20.5508     
1 1 1 12 5  42 o 64.7058 2.72713 23.0279      2.7985   24.1285      2.60069  76.3944     184.927     32.8826     184.927     
1 1 1 12 5  43 o 22.8804 5.49543 3.40011      2.34785  3.0255       2.27681  12.3617     302.128     13.5146     122.128     
1 1 1 12 5  44 o 30.1715 4.81354 5.12419      2.24118  6.37088      2.13485  22.1351     93.829      8.09583     273.829     
1 1 1 12 5  45 o 14.0578 4.34672 0.137094     1.81144  -0.160911    1.76233  2.64404     141.69      4.91914     321.69      
1 1 1 12 5  46 o 45.7191 3.51228 13.8707      2.40969  10.9366      2.41775  55.4077     11.672      30.0821     11.672      
1 1 1 12 5  47 o 13.8711 4.3843  0.355968     1.98032  -0.976038    1.8869   2.20651     2.61699     13.2111     182.617     
1 1 1 12 5  48 o 25.0532 5.02012 3.62197      2.04327  4.97207      2.04786  14.5683     271.621     13.8333     91.6214     
1 1 1 12 5  49 o 26.9202 6.09838 5.11936      3.36429  6.00111      2.54413  15.0134     357.169     16.9007     177.169     
1 1 1 12 5  50 f 49.3992 3.48007 14.0861      2.6234   15.903       2.58611  32.0828     3.37277     0           0           
1 1 1 12 5  51 o 28.6542 5.13261 5.37706      2.33527  6.54825      2.22536  28.1072     253.113     8.09892     253.113     
1 1 1 12 5  52 o 14.0423 4.60898 0.0464517    2.56077  -1.01172     2.18738  6.34052     332.052     1.75088     332.052     
1 1 1 12 5  53 o 46.7251 4.03077 15.6134      2.54036  13.3621      3.00313  50.6727     179.284     17.9447     179.284     
1 1 1 12 5  54 o 22.4961 5.07261 1.89666      2.19488  6.00004      2.21151  22.3316     180.918     10.8757     180.918     
1 1 1 12 5  55 o 17.1887 5.02191 1.00401      2.09378  3.05452      2.30028  9.81085     90.1869     4.8545      90.1869     
1 1 1 12 5  56 o 15.0527 4.50737 -2.40287     2.09983  3.00211      2.08299  5.63015     219.514     1.46496     39.5144     
1 1 1 12 5  57 o 18.213  5.18037 3.20681      2.25495  2.14861      2.22834  9.85626     290.174     4.18916     110.174     
1 1 1 12 5  58 o 15.7714 4.94323 1.64148      2.35157  1.82817      2.41617  5.73556     92.373      1.60254     92.373      
1 1 1 12 5  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 6  0  o 423.02  2.24208 974.868      14.6031  974.868      14.6031  481.289     180         125.787     180         
1 1 1 12 6  1  o 117.087 2.60753 68.3046      4.85058  81.6064      4.46999  96.7972     279.483     19.1378     99.4828     
1 1 1 12 6  2  o 238.503 2.38111 309.467      9.14875  310.589      8.3201   299.819     192.797     141.147     192.797     
1 1 1 12 6  3  o 242.825 2.09358 333.692      7.82993  309.125      7.81864  285.065     106.456     101.153     106.456     
1 1 1 12 6  4  o 74.421  2.45058 29.5436      2.7954   30.9738      2.80492  24.6281     350.696     75.8894     170.696     
1 1 1 12 6  5  f 150.816 2.05518 115.494      4.75496  132.683      4.77504  104.062     344.512     0           0           
1 1 1 12 6  6  o 328.146 1.944   583.806      9.81627  589.628      9.8301   409.682     133.263     179.19      133.263     
1 1 1 12 6  7  o 201.985 2.05844 218.841      6.19337  225.833      6.61012  219.709     29.3955     51.4011     29.3955     
1 1 1 12 6  8  o 204.396 2.04972 223.412      6.22003  231.97       6.68154  192.946     162.332     8.97327     342.332     
1 1 1 12 6  9  o 194.362 2.05299 210.948      6.36143  200.863      5.92784  223.239     94.8934     74.1123     94.8934     
1 1 1 12 6  10 o 144.899 2.05066 112.714      4.57706  116.152      4.57334  107.747     337.43      60.998      157.43      
1 1 1 12 6  11 o 357.4   2.00996 696.528      10.6843  695.783      11.4267  389.265     325.302     78.6923     325.302     
1 1 1 12 6  12 o 171.573 2.18599 158.122      5.33062  162.839      6.19928  182.504     303.482     36.8532     303.482     
1 1 1 12 6  13 o 143.217 2.11565 109.638      4.50358  114.003      4.82743  109.884     140.135     53.3676     320.135     
1 1 1 12 6  14 o 122.015 2.23405 76.0529      4.17286  86.5188      4.20688  105.657     300.788     16.8563     120.788     
1 1 1 12 6  15 o 89.5942 2.39963 45.6307      3.30766  42.0915      3.29791  2.87717     166.19      161.491     346.19      
1 1 1 12 6  16 o 86.2711 2.449   39.4046      3.24332  41.945       3.24805  9.8873      325.534     139.874     145.534     
1 1 1 12 6  17 o 102.087 2.31502 56.0361      3.62723  57.772       3.64144  81.3787     203.057     23.594      23.0571     
1 1 1 12 6  18 o 111.682 2.21993 67.2484      3.92943  68.9159      3.69142  118.898     294.222     34.7568     294.222     
1 1 1 12 6  19 o 80.76   2.35794 33.4835      2.92156  37.8685      2.922    49.7067     198.264     46.1501     18.2641     
1 1 1 12 6  20 o 164.279 2.1032  150.399      5.51644  143.997      5.12397  135.324     106.85      44.8401     286.85      
1 1 1 12 6  21 o 143.262 2.07259 109.073      4.56876  114.827      4.57366  108.081     256         58.2747     76.0003     
1 1 1 12 6  22 o 178.345 2.02794 173.213      5.57314  173.711      5.56557  161.26      316.486     20.5574     136.486     
1 1 1 12 6  23 o 245.965 1.97113 331.161      7.46384  328.691      7.46774  244.529     96.6386     13.7381     96.6386     
1 1 1 12 6  24 o 27.3583 4.64029 4.54715      1.92574  4.01257      1.93693  7.49598     243.976     37.4358     243.976     
1 1 1 12 6  25 o 43.78   3.3613  11.262       2.21934  9.98924      2.23153  10.8138     315.2       47.9731     135.2       
1 1 1 12 6  26 o 135.929 2.1269  101.709      4.45446  99.9775      4.44921  139.77      305.673     21.8153     305.673     
1 1 1 12 6  27 o 60.2409 3.24565 19.2582      2.99516  20.756       2.97678  60.7015     243.039     19.9366     243.039     
1 1 1 12 6  28 o 21.3121 5.29312 2.70904      2.17298  1.71616      2.16275  11.0281     179.27      45.711      179.27      
1 1 1 12 6  29 o 96      2.41583 49.965       3.55857  50.9937      3.5725   89.201      358.394     1.3346      178.394     
1 1 1 12 6  30 o 29.0975 4.8554  6.10689      2.17415  3.73076      2.15491  2.43447     41.0373     2.20998     221.037     
1 1 1 12 6  31 o 186.185 2.70318 193.946      7.30483  186.605      8.15262  208.085     30.7669     61.3707     30.7669     
1 1 1 12 6  32 o 129.837 2.27442 93.7478      4.5459   91.0815      4.54443  153.127     237.669     61.4049     237.669     
1 1 1 12 6  33 o 26.8372 4.54324 6.07578      1.92598  2.36949      1.94597  8.36849     284.641     20.8713     104.641     
1 1 1 12 6  34 o 28.8242 4.81669 4.16572      2.22918  5.59217      2.00403  11.059      335.596     24.413      155.596     
1 1 1 12 6  35 o 31.9002 4.06925 6.44562      1.91731  5.34731      1.92625  26.2998     304.936     0.168877    304.936     
1 1 1 12 6  36 o 109.296 2.16302 63.5971      3.62775  68.0457      3.64328  120.559     13.678      34.9934     13.678      
1 1 1 12 6  37 o 76.572  2.47931 31.5415      2.84175  33.4731      2.99015  69.6425     273.301     3.99595     93.3013     
1 1 1 12 6  38 o 58.2489 2.75623 19.5968      2.41567  18.3428      2.49443  69.2518     276.067     32.277      276.067     
1 1 1 12 6  39 o 32.222  4.34686 8.66472      1.96621  3.96019      2.12642  20.5357     222.367     15.4736     42.3671     
1 1 1 12 6  40 o 42.7075 3.81936 9.1412       2.27631  12.1143      2.63418  34.1999     341.759     9.08701     161.759     
1 1 1 12 6  41 o 37.7344 4.5078  10.351       2.44933  6.86843      2.52544  22.9437     217.057     22.7238     37.0573     
1 1 1 12 6  42 o 22.742  5.33441 3.24483      2.3124   3.05598      2.04739  8.85361     230.08      21.3323     50.08       
1 1 1 12 6  43 o 13.623  4.20354 0.716532     1.71429  -1.34466     1.74504  2.11417     269.349     11.6801     89.349      
1 1 1 12 6  44 o 41.2715 3.81335 11.2694      2.31349  9.06193      2.37622  42.2222     266.427     11.0736     266.427     
1 1 1 12 6  45 o 30.1116 4.60487 8.09958      2.20982  3.60263      2.02129  25.4389     31.3167     0.317582    211.317     
1 1 1 12 6  46 o 16.7671 4.98931 -0.283989    2.62638  1.49703      1.94242  4.44074     263.693     0.0915086   263.693     
1 1 1 12 6  47 o 21.3401 5.00482 1.77943      2.04447  4.05124      1.98113  16.7139     65.793      2.09248     65.793      
1 1 1 12 6  48 o 16.3513 5.0271  0.210768     2.43626  1.07049      2.3123   7.35977     128.789     9.65612     308.789     
1 1 1 12 6  49 o 21.6456 5.25258 1.7752       2.23443  4.62743      2.23868  20.0983     305.503     7.78304     305.503     
1 1 1 12 6  50 o 13.0436 4.25667 -1.66813     2.0904   -0.0185716   1.9663   3.93975     115.575     3.64683     295.575     
1 1 1 12 6  51 o 27.9172 5.17462 7.51972      2.35719  4.10564      2.31244  18.9442     233.759     10.4676     53.7588     
1 1 1 12 6  52 o 16.1656 4.81909 -0.462354    2.20623  2.47562      2.14091  12.1086     243.833     1.5065      243.833     
1 1 1 12 6  53 o 14.3517 4.60477 0.506342     2.21197  -0.153682    2.20928  4.74994     198.978     12.2372     18.9783     
1 1 1 12 6  54 o 16.9038 4.951   1.36293      2.1098   2.32264      2.13155  12.1232     165.143     2.32803     165.143     
1 1 1 12 6  55 o 16.7226 4.88321 0.227679     2.19096  3.06811      2.13876  8.11758     43.5985     9.21657     223.599     
1 1 1 12 6  56 o 17.1171 5.0205  2.76813      2.18922  1.26535      2.231    7.81797     147.08      6.3853      327.08      
1 1 1 12 6  57 o 18.6833 5.12879 1.33547      2.25394  4.30042      2.24059  11.8384     95.0623     1.88566     95.0623     
1 1 1 12 6  58 o 14.5996 4.60034 -0.328183    2.16137  2.24182      2.16583  6.15038     61.0847     1.29209     61.0847     
1 1 1 12 6  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 7  0  o 187.12  2.30899 190.91       6.64863  190.91       6.64863  260.425     8.21435e-06 151.803     8.21435e-06 
1 1 1 12 7  1  o 224.104 2.18848 273.301      7.26554  274.122      7.82941  260.272     95.4907     89.4747     95.4907     
1 1 1 12 7  2  o 215.112 2.10551 257.546      6.99028  246.853      6.95699  237.59      226.804     61.4538     226.804     
1 1 1 12 7  3  o 126.825 2.31986 88.5943      4.36504  86.8218      4.6824   65.7121     12.6586     108.067     192.659     
1 1 1 12 7  4  o 24.7479 4.91665 3.86667      1.90761  2.99337      2.01885  36.6093     121.403     89.9819     121.403     
1 1 1 12 7  5  o 177.744 2.15596 164.533      5.87801  180.016      5.91673  175.538     310.777     11.3462     310.777     
1 1 1 12 7  6  o 166.995 2.40844 147.331      6.6772   156.815      5.62742  193.71      303.664     72.3141     303.664     
1 1 1 12 7  7  o 118.501 2.48941 79.3767      4.5591   73.9402      4.51326  96.7924     119.232     26.5787     299.232     
1 1 1 12 7  8  o 249.346 2.10484 341.058      8.08714  336.689      8.07636  254.599     294.933     24.9122     294.933     
1 1 1 12 7  9  o 152.932 2.2839  129.624      5.59898  125.404      5.15517  154.802     117.676     19.2996     117.676     
1 1 1 12 7  10 f 92.8837 2.45094 44.3131      3.48639  49.9952      3.50377  145.768     48.1756     0           0           
1 1 1 12 7  11 o 154.809 2.19583 133.79       5.24399  127.552      5.22345  190.916     175.513     92.2057     175.513     
1 1 1 12 7  12 o 153.903 2.11641 127.399      4.8236   130.858      5.20506  141.246     234.852     10.3296     54.8518     
1 1 1 12 7  13 o 129.658 2.0865  88.4312      4.15827  94.9194      4.16996  138.739     274.55      37.3376     274.55      
1 1 1 12 7  14 o 98.3814 2.19484 51.5816      3.31066  54.0902      3.33023  60.1432     126.267     60.5493     306.267     
1 1 1 12 7  15 o 50.9717 2.95971 13.7894      2.20606  14.7808      2.39979  1.7201      87.3886     83.458      87.3886     
1 1 1 12 7  16 o 100.774 2.52157 52.7927      3.3911   58.2336      4.3989   103.511     255.019     29.2061     255.019     
1 1 1 12 7  17 o 195.44  2.22073 210.229      6.40502  206.427      6.94542  197.163     354.703     19.1996     354.703     
1 1 1 12 7  18 o 70.1308 2.63824 24.8189      2.81918  29.1107      2.84655  61.3062     243.269     10.9027     243.269     
1 1 1 12 7  19 o 174.341 2.15692 165.34       5.79343  166.216      5.7877   184.131     105.241     34.7785     105.241     
1 1 1 12 7  20 o 89.7213 2.41913 40.1832      3.42247  47.9747      3.20651  92.2396     274.416     22.4607     274.416     
1 1 1 12 7  21 o 69.2776 2.5391  24.707       2.68008  27.8785      2.71306  52.4435     27.5916     17.0575     207.592     
1 1 1 12 7  22 o 19.9294 4.77947 0.736524     1.89973  2.95337      1.79702  15.2229     57.2628     41.3983     57.2628     
1 1 1 12 7  23 o 57.3614 2.84076 15.6773      2.47598  20.6279      2.47168  47.5116     42.0391     10.2823     42.0391     
1 1 1 12 7  24 o 138.723 2.11137 103.503      4.5057   106.519      4.51425  91.177      183.613     81.9266     3.61296     
1 1 1 12 7  25 o 47.173  3.23875 11.7512      2.32135  12.8535      2.32053  32.2244     252.98      3.77842     72.9803     
1 1 1 12 7  26 o 113.731 2.48789 69.4199      4.21524  72.0999      4.48819  94.261      164.2       26.4413     344.2       
1 1 1 12 7  27 o 91.5016 2.72882 44.1046      3.84252  47.7271      3.82473  80.9445     331.692     9.26375     151.692     
1 1 1 12 7  28 f 172.628 2.11546 161.043      5.78605  164.604      5.45165  140.492     233.796     0           0           
1 1 1 12 7  29 o 17.4423 4.77775 2.01271      1.96224  -0.214558    1.86405  7.75248     189.9       24.364      189.9       
1 1 1 12 7  30 o 176.915 2.55181 169.339      6.95722  173.842      6.94545  205.774     317.346     75.4968     317.346     
1 1 1 12 7  31 o 80.0317 2.69965 34.3641      3.32027  36.1671      3.31272  56.7481     254.903     35.3534     74.9032     
1 1 1 12 7  32 o 88.1464 2.39361 42.5135      3.11703  42.8984      3.36497  106.332     343.709     50.3042     343.709     
1 1 1 12 7  33 o 30.0628 4.4162  6.32431      1.9795   4.24693      1.98031  11.4311     77.4278     4.55281     77.4278     
1 1 1 12 7  34 o 107.688 2.42924 67.6893      3.86925  60.2604      4.14485  120.671     212.271     38.7514     212.271     
1 1 1 12 7  35 o 70.1879 2.46405 26.6533      2.64985  27.8539      2.65905  65.9586     84.991      1.03984     84.991      
1 1 1 12 7  36 o 53.4884 2.83935 17.3428      2.29751  14.6594      2.32848  61.5143     301.66      26.2437     301.66      
1 1 1 12 7  37 o 55.4501 2.91482 16.3769      2.33787  18.0996      2.60568  55.8045     6.38168     10.0588     6.38167     
1 1 1 12 7  38 o 55.3589 2.90361 16.4336      2.34026  18.014       2.57615  49.3892     16.3683     2.99827     196.368     
1 1 1 12 7  39 o 16.2713 4.64387 0.961352     1.85626  0.755827     1.73337  4.04234     167.243     8.65812     347.243     
1 1 1 12 7  40 o 31.1678 4.21505 6.6475       1.96021  4.98224      1.93169  31.3169     260.664     9.85897     260.664     
1 1 1 12 7  41 o 55.3845 2.83622 18.6823      2.41432  16.0419      2.38127  49.1066     96.5146     4.16079     276.515     
1 1 1 12 7  42 o 35.1399 4.50413 6.1399       2.24673  9.05707      2.43615  26.0211     10.9722     10.826      190.972     
1 1 1 12 7  43 o 21.0844 5.30215 1.05546      2.2021   3.95101      2.34737  12.4285     283.841     5.08398     283.841     
1 1 1 12 7  44 o 18.8208 5.02978 2.54158      2.02972  1.08451      2.04015  9.80662     213.06      0.922977    213.06      
1 1 1 12 7  45 o 38.74   4.13428 8.38175      2.28644  9.98417      2.49262  40.3228     172.012     13.0054     172.012     
1 1 1 12 7  46 o 16.7263 4.75606 2.46308      2.06726  -0.571201    1.9366   7.47772     339.348     0.709076    159.348     
1 1 1 12 7  47 o 13.8654 4.44197 -0.377926    2.05645  -0.45143     2.03027  2.12338     336.664     0.660153    156.664     
1 1 1 12 7  48 o 16.4278 4.91531 1.31208      2.18113  0.751631     2.11477  10.7947     71.0628     1.09992     71.0627     
1 1 1 12 7  49 o 35.8389 4.49847 6.30643      2.38718  10.9005      2.28806  30.6584     329.22      2.05616     149.22      
1 1 1 12 7  50 o 35.044  5.17273 10.0931      2.84197  7.535        2.57073  37.0448     315.698     13.9101     315.698     
1 1 1 12 7  51 o 15.0118 4.69691 0.161849     2.04445  0.915134     2.24063  9.33316     279.196     0.31852     279.196     
1 1 1 12 7  52 o 17.634  4.99921 3.04482      2.16023  0.851199     2.1126   6.91274     81.2439     15.1139     261.244     
1 1 1 12 7  53 o 15.2688 4.79806 0.629454     2.22724  0.95034      2.29413  6.89294     167.71      8.86663     347.71      
1 1 1 12 7  54 o 36.2243 4.64584 7.55431      2.42462  11.7364      2.52464  41.0594     300.073     19.9228     300.073     
1 1 1 12 7  55 o 21.7174 5.40859 3.43915      2.21744  4.74819      2.31326  18.3123     204.082     8.40863     204.082     
1 1 1 12 7  56 f 25.0353 5.21092 7.37177      2.3381   3.23774      2.32553  7.4772      145.724     0           0           
1 1 1 12 7  57 o 23.2669 5.3964  6.3235       2.32395  3.75981      2.32997  20.7892     298.883     11.6781     298.883     
1 1 1 12 7  58 o 14.3459 4.61352 0.237655     2.13622  1.4958       2.32682  8.26993     24.6526     2.59279     204.653     
1 1 1 12 8  0  o 221.98  2.10951 268.561      7.2079   268.561      7.2079   305.806     180         175.28      180         
1 1 1 12 8  1  f 163.512 2.15772 138.045      5.41103  153.615      5.44492  135.867     90.6321     0           0           
1 1 1 12 8  2  o 119     2.35753 74.7714      4.12856  79.7952      4.50368  100.024     203.434     20.5696     23.4337     
1 1 1 12 8  3  o 169.212 2.38257 158.626      5.63248  153.607      6.71746  221.999     187.748     128.171     187.748     
1 1 1 12 8  4  o 146.662 2.28989 113.537      4.97979  121.046      5.3645   77.5891     122.103     125.552     302.103     
1 1 1 12 8  5  f 345.038 2.08516 654.811      11.0882  642.973      11.069   337.28      46.8472     0           0           
1 1 1 12 8  6  o 117.067 2.30265 75.8956      4.14922  73.66        4.14405  106.337     341.555     4.06439     161.555     
1 1 1 12 8  7  o 41.741  3.80324 7.53308      2.31336  12.0989      2.34871  6.30955     346.385     65.4012     346.385     
1 1 1 12 8  8  o 163.97  2.18188 133.75       5.47293  159.973      5.51604  168.994     194.221     26.3044     194.221     
1 1 1 12 8  9  o 225.972 2.20804 284.355      8.01236  272.49       7.35157  198.916     139.541     39.3395     319.541     
1 1 1 12 8  10 o 181.494 2.25608 175.472      6.54438  183.784      6.04192  211.204     189.791     77.3955     189.791     
1 1 1 12 8  11 o 74.0243 2.77638 29.364       3.27123  30.6157      3.02411  50.0224     358.678     27.3969     358.678     
1 1 1 12 8  12 o 138.859 2.23041 99.2567      4.75969  111.197      4.76762  127.345     123.625     6.32998     303.625     
1 1 1 12 8  13 o 331.801 2.09223 610.545      10.6995  590.026      10.6785  335.427     254.457     26.4893     254.457     
1 1 1 12 8  14 o 110.323 2.3495  73.068       3.99185  60.1435      3.95659  95.4576     301.457     11.1246     121.457     
1 1 1 12 8  15 o 72.6241 2.78492 26.813       2.98432  31.0194      3.22161  44.1699     131.812     36.0405     311.812     
1 1 1 12 8  16 o 82.0077 2.36099 34.2233      2.96191  39.3662      2.97855  71.8379     169.764     1.78169     169.764     
1 1 1 12 8  17 o 29.6137 4.24261 4.01142      1.86588  6.01251      1.86998  31.0671     310.058     101.144     310.058     
1 1 1 12 8  18 o 173.495 2.1015  158.862      5.40533  169.549      5.82489  201.263     72.8106     72.1689     72.8106     
1 1 1 12 8  19 o 66.7756 2.81222 23.9595      2.65522  24.9243      3.09254  66.4644     38.8651     33.9428     38.8651     
1 1 1 12 8  20 o 193.681 2.35665 192.041      6.38793  217.765      7.67044  178.077     180.889     15.6671     0.888722    
1 1 1 12 8  21 o 88.9903 2.66537 46.54        3.44092  40.2235      3.79673  76.4224     278.003     9.67972     98.003      
1 1 1 12 8  22 o 161.003 2.43877 139.409      6.54281  143.643      5.48625  181.763     13.2418     58.4438     13.2418     
1 1 1 12 8  23 o 152.291 2.16486 129.488      5.29956  123.679      4.85249  131.672     313.252     26.2512     133.252     
1 1 1 12 8  24 o 27.4973 5.05947 4.33969      2.1588   4.31462      2.16637  6.68805     203.068     43.0873     203.068     
1 1 1 12 8  25 o 131.992 2.31267 89.7322      4.66733  100.812      4.72047  118.36      343.926     13.4905     163.926     
1 1 1 12 8  26 o 59.8878 3.20208 20.3503      2.94033  19.2058      2.9204   42.1395     132.999     23.392      312.999     
1 1 1 12 8  27 o 121.513 2.29172 76.8216      4.27864  84.8286      4.28222  99.6986     243.591     30.5774     63.5911     
1 1 1 12 8  28 o 94.2132 2.49778 52.8194      3.6285   44.6779      3.58972  85.9551     328.364     3.41884     148.364     
1 1 1 12 8  29 o 35.3135 4.7498  8.30325      2.48999  6.09359      2.47533  18.1991     29.1619     5.7595      209.162     
1 1 1 12 8  30 o 44.3268 3.79216 10.3724      2.42979  11.7087      2.64342  39.4413     109.939     13.8715     109.939     
1 1 1 12 8  31 o 28.2327 4.67403 5.91244      1.9618   3.39043      2.09367  1.58773     274.823     48.1218     274.823     
1 1 1 12 8  32 f 56.8097 2.77736 18.2121      2.41808  17.5302      2.41073  40.4223     280.883     0           0           
1 1 1 12 8  33 o 65.7085 2.86003 24.5452      2.75204  23.368       2.99404  51.3829     68.5267     18.9202     248.527     
1 1 1 12 8  34 o 15.892  4.63559 -0.882609    1.82236  1.48548      2.00713  3.30499     183.894     27.6484     183.894     
1 1 1 12 8  35 o 48.0224 3.24183 12.0175      2.20028  13.9892      2.53955  34.4463     315.085     18.9471     135.085     
1 1 1 12 8  36 o 22.7958 4.71581 3.64724      1.78603  2.47334      1.77338  9.49508     60.678      16.8866     240.678     
1 1 1 12 8  37 o 21.7557 5.15427 2.50109      1.79837  2.91447      2.27103  11.9899     114.287     1.06766     114.287     
1 1 1 12 8  38 o 13.8785 4.22398 0.562967     1.65985  -0.724676    1.66642  0.107103    253.24      12.2087     73.24       
1 1 1 12 8  39 o 36.794  3.69186 8.37729      2.03767  7.34946      2.02133  31.5791     33.2705     2.17863     213.271     
1 1 1 12 8  40 o 34.6076 4.15509 6.74316      2.14578  7.50332      2.1195   31.5637     351.983     1.71885     351.983     
1 1 1 12 8  41 o 16.0556 4.51541 2.57501      2.0641   -1.85891     1.7208   6.37099     20.2794     0.345783    20.2794     
1 1 1 12 8  42 o 28.362  4.81471 5.24502      1.98896  4.86717      2.16805  28.0038     322.699     10.0734     322.699     
1 1 1 12 8  43 o 46.5581 3.58922 14.0598      2.5308   11.5113      2.50834  38.2797     314.682     7.61243     134.682     
1 1 1 12 8  44 o 16.902  4.87133 0.424291     2.02046  1.62984      2.02545  6.19592     123.771     1.54449     303.771     
1 1 1 12 8  45 o 13.1744 4.23374 -0.470236    1.86467  -0.808017    1.88683  0.525539    115.814     17.8382     115.814     
1 1 1 12 8  46 o 28.7694 5.46894 6.04646      2.31883  5.45303      2.6614   27.9582     247.413     8.83736     247.413     
1 1 1 12 8  47 o 14.277  4.53441 1.01215      2.11166  -2.62975     2.33551  6.16886     46.8571     2.66937     226.857     
1 1 1 12 8  48 o 21.6927 5.34642 4.35283      2.2633   2.18742      2.27194  15.4107     359.325     4.69206     179.325     
1 1 1 12 8  49 o 22.5401 5.17813 5.11812      2.17404  2.06066      2.23439  19.9602     327.515     5.66441     327.515     
1 1 1 12 8  50 o 19.5961 4.96079 4.43178      2.13502  0.320895     2.16119  11.1973     109.159     9.2617      289.159     
1 1 1 12 8  51 o 41.3663 4.14368 12.5909      2.55993  10.2443      2.54028  44.7759     216.272     16.259      216.272     
1 1 1 12 8  52 o 16.9448 4.98076 1.02155      2.22776  2.35131      2.13131  12.4814     140.287     1.93894     140.287     
1 1 1 12 8  53 o 15.4465 4.83112 0.770748     2.24078  1.10643      2.29088  9.15894     180.914     1.48592     180.914     
1 1 1 12 8  54 o 26.8015 5.19584 9.17439      2.55357  2.86029      2.51857  29.5163     178.778     17.2004     178.778     
1 1 1 12 8  55 o 14.591  4.71229 0.0055032    2.61924  0.709577     2.14621  4.56356     31.5679     5.51135     211.568     
1 1 1 12 8  56 o 12.9902 4.29847 -0.94874     2.17523  0.083225     2.13739  1.2844      152.752     1.78397     332.752     
1 1 1 12 8  57 o 13.3275 4.37403 0.497408     2.15287  -0.11756     2.15486  5.24477     119.164     4.06316     299.164     
1 1 1 12 8  58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 9  0  o 19.4005 6.0309  2.95462      1.88464  2.95462      1.88464  73.4079     360         168.128     360         
1 1 1 12 9  1  o 93.8334 2.42108 51.9039      3.74919  44.3947      3.24089  56.3585     281.741     58.2602     101.741     
1 1 1 12 9  2  o 43.5236 3.85541 12.9531      2.36053  8.33744      2.53184  9.84412     168.943     81.0418     168.944     
1 1 1 12 9  3  o 211.656 2.29825 254.092      7.50887  234.607      7.4651   200.983     267.787     5.49668     87.7874     
1 1 1 12 9  4  o 156.798 2.28165 132.287      5.31046  135.819      5.7051   127.705     359.242     43.1189     179.242     
1 1 1 12 9  5  o 393.782 2.08708 836.455      12.6424  854.123      12.6682  441.339     151.306     116.529     151.306     
1 1 1 12 9  6  o 222.215 2.21097 259.834      7.24938  278.772      7.8839   193.625     23.7415     41.3747     203.742     
1 1 1 12 9  7  o 81.5853 2.56164 37.0968      3.22424  35.6706      3.19577  64.8477     98.6555     9.15343     278.656     
1 1 1 12 9  8  o 74.5876 2.67922 25.1522      3.00343  36.218       3.06227  32.4375     300.547     65.5756     120.547     
1 1 1 12 9  9  o 215.672 2.12985 257.331      7.07857  249.902      7.06739  254.259     219.118     96.2372     219.118     
1 1 1 12 9  10 o 311.834 2.09187 519.563      10.0306  540.863      10.0567  309.229     264.529     14.4662     264.529     
1 1 1 12 9  11 f 250.464 2.10663 338.194      8.1281   345.91       8.12107  218.339     152.262     0           0           
1 1 1 12 9  12 o 111.438 2.32838 65.3886      3.97907  70.2456      4.00011  113.146     151.36      25.3849     151.36      
1 1 1 12 9  13 o 49.6236 3.32484 13.8567      2.53572  13.303       2.48497  15.0042     119.2       35.7726     299.2       
1 1 1 12 9  14 o 221.119 2.23285 261.424      7.90548  271.981      7.27201  210.658     299.475     3.54633     119.475     
1 1 1 12 9  15 o 100.167 2.67924 62.6206      4.5523   47.5964      3.71231  66.0694     178.754     53.3053     358.754     
1 1 1 12 9  16 o 95.7598 2.56943 51.6183      3.94003  48.6514      3.6242   118.663     347.856     87.833      347.856     
1 1 1 12 9  17 o 194.229 2.17413 215.227      6.51955  196.537      6.4775   175.711     201.913     21.2039     21.9126     
1 1 1 12 9  18 o 95.4917 2.4094  49.4277      3.35908  50.2278      3.70923  99.6075     263.989     25.9679     263.989     
1 1 1 12 9  19 o 36.0963 3.98546 6.70197      2.06405  7.94064      2.22089  0.466242    245.607     47.3298     65.6071     
1 1 1 12 9  20 o 179.39  2.03872 175.766      5.63556  175.287      5.62799  203.344     76.5695     65.7281     76.5695     
1 1 1 12 9  21 o 82.3242 2.51218 36.1005      3.05855  38.0663      3.29601  57.8072     239.877     34.0666     59.8766     
1 1 1 12 9  22 o 124.504 2.43229 81.4532      4.82526  88.039       4.46564  115.224     129.05      3.26894     309.05      
1 1 1 12 9  23 o 32.2318 5.79146 6.60645      3.08098  5.38214      2.68502  3.8721      338.038     52.8455     338.038     
1 1 1 12 9  24 o 68.93   3.1447  27.6243      3.33549  24.6834      3.2983   49.2183     144.319     26.4577     324.319     
1 1 1 12 9  25 o 35.0162 4.26384 4.76234      2.0664   9.49763      2.30663  13.1575     92.884      26.5114     272.884     
1 1 1 12 9  26 o 24.4777 4.98462 3.16813      1.96377  3.63677      2.00169  3.50087     77.3937     34.0232     77.3937     
1 1 1 12 9  27 o 120.76  2.53287 76.069       4.60981  83.8806      4.79877  106.932     142.464     13.4029     322.464     
1 1 1 12 9  28 o 36.7977 4.01775 7.68756      2.21033  7.63595      2.19646  7.22239     192.165     45.5906     12.1653     
1 1 1 12 9  29 o 45.3245 3.68809 13.2229      2.49881  9.90965      2.50314  34.1612     106.068     6.70957     286.068     
1 1 1 12 9  30 o 72.5408 2.70469 27.993       2.87361  30.0489      3.14813  78.0128     148.401     24.7546     148.401     
1 1 1 12 9  31 o 49.0319 3.2832  11.9609      2.3046   14.9734      2.59428  48.7616     179.427     13.3302     179.427     
1 1 1 12 9  32 o 104.122 2.43265 62.6734      3.55294  56.8534      4.17244  102.026     48.8974     8.8497      48.8974     
1 1 1 12 9  33 o 64.1454 2.74687 24.9866      2.722    20.7851      2.66563  66.7499     353.115     15.4082     353.115     
1 1 1 12 9  34 o 38.1857 3.73633 7.64113      2.1397   9.07153      2.119    27.0131     81.156      13.8968     261.156     
1 1 1 12 9  35 o 44.3716 3.52669 12.757       2.16847  9.72549      2.4602   41.9753     124.08      4.66444     124.08      
1 1 1 12 9  36 o 30.301  4.34029 4.9502       2.00399  5.94405      1.90373  24.3105     265.811     1.89795     85.8113     
1 1 1 12 9  37 o 18.0156 4.71385 1.83628      1.74491  1.31246      1.73325  0.113229    179.029     27.7323     179.029     
1 1 1 12 9  38 o 41.5198 3.91664 8.10558      2.53145  12.111       2.13135  48.8239     352.852     25.7707     352.852     
1 1 1 12 9  39 o 20.9898 4.92708 3.33755      1.84131  1.60688      2.01545  13.3062     110.379     6.08906     290.379     
1 1 1 12 9  40 o 22.877  4.77042 4.50396      1.89796  1.79943      1.89661  14.5288     217.522     9.29837     37.5218     
1 1 1 12 9  41 o 35.691  3.97915 6.29837      2.07995  9.02629      2.09919  29.892      61.0031     3.49213     241.003     
1 1 1 12 9  42 o 31.3932 4.36859 6.7074       2.05117  5.46401      2.02046  32.2432     285.666     12.3967     285.666     
1 1 1 12 9  43 o 29.6686 4.53193 5.43575      2.001    5.57639      2.01883  27.9967     160.209     7.07198     160.209     
1 1 1 12 9  44 o 16.3815 4.81694 1.65449      2.15076  -0.00627811  1.91594  6.47392     129.459     5.11419     309.459     
1 1 1 12 9  45 o 20.6258 5.63169 2.827        2.51351  2.28113      2.5711   13.7289     127.799     2.46762     307.799     
1 1 1 12 9  46 o 16.1324 4.69099 1.98393      1.95783  -0.194087    1.94272  8.39938     201.053     0.169856    21.0528     
1 1 1 12 9  47 o 37.6656 4.70472 10.1662      2.48841  8.71232      2.73356  28.2598     108.333     10.6317     288.333     
1 1 1 12 9  48 o 14.6965 4.63722 -0.901387    2.15981  0.887392     2.17848  6.93151     156.88      4.14217     336.88      
1 1 1 12 9  49 o 16.4499 4.81018 1.7864       2.00107  0.884003     1.9956   9.08418     356.243     4.39389     176.243     
1 1 1 12 9  50 o 13.8047 4.41852 -0.445617    1.98032  0.3496       2.06028  7.43873     308.611     2.17476     128.611     
1 1 1 12 9  51 o 20.0129 5.35621 3.14986      2.2247   3.03002      2.30657  15.8173     257.747     0.130867    257.748     
1 1 1 12 9  52 o 22.4497 5.43509 2.7044       2.19551  5.69478      2.47966  19.6146     290.907     3.84329     290.907     
1 1 1 12 9  53 o 22.7295 5.33828 6.83874      2.46119  1.43234      2.72911  20.9491     162.567     6.57678     162.567     
1 1 1 12 9  54 o 18.727  5.28196 1.64681      2.27317  3.9741       2.42697  11.6364     32.0466     4.47309     32.0466     
1 1 1 12 9  55 o 14.6726 4.65943 1.38688      2.29138  -0.000664708 2.10576  3.63765     247.309     6.52635     67.3086     
1 1 1 12 9  56 o 14.065  4.51743 1.2544       2.12787  -0.14122     2.18204  1.73079     24.8951     0.258341    204.895     
1 1 1 12 9  57 o 15.3271 4.77582 1.03429      2.17725  2.02219      2.22865  9.77265     294.511     2.08004     294.511     
1 1 1 12 10 0  o 16.2162 5.87341 2.10651      1.85834  2.10651      1.85834  41.1417     8.5574e-06  90.8102     8.5574e-06  
1 1 1 12 10 1  o 246.665 2.09957 327.765      7.95751  335.662      7.9919   264.042     266.202     53.9248     266.202     
1 1 1 12 10 2  o 59.063  3.19606 20.5049      2.89223  17.8659      2.86759  28.5742     56.0505     28.6962     236.05      
1 1 1 12 10 3  o 144.433 2.38993 113.909      5.32063  113.643      5.31029  175.853     104.4       86.4429     104.4       
1 1 1 12 10 4  o 76.103  2.74289 30.8254      3.06624  32.5628      3.34114  30.4941     182.686     72.8602     2.68602     
1 1 1 12 10 5  o 56.2303 3.22903 16.3009      2.63918  18.5022      2.90683  23.3673     345.384     32.4074     165.384     
1 1 1 12 10 6  o 83.7769 2.52883 42.7288      3.25272  34.227       3.2287   77.5201     99.4556     18.635      99.4556     
1 1 1 12 10 7  o 168.981 2.10338 156.603      5.67861  154.774      5.26222  198.867     251.261     80.9388     251.261     
1 1 1 12 10 8  o 158.995 2.10675 133.98       5.31947  141.745      4.97826  156.463     350.149     13.5571     350.149     
1 1 1 12 10 9  o 204.019 1.98263 215.106      6.21284  239.052      6.23273  245.021     200.167     103.008     200.167     
1 1 1 12 10 10 o 114.171 2.16787 76.5463      3.82947  65.9237      3.77417  128.727     285.811     53.7466     285.811     
1 1 1 12 10 11 o 196.824 1.99721 206.755      6.05223  215.723      6.05229  201.808     246.934     28.4023     246.934     
1 1 1 12 10 12 f 74.8964 2.45414 30.3328      2.82881  31.0152      2.81619  47.6111     16.3669     0           0           
1 1 1 12 10 13 o 178.693 2.08292 184.286      5.97234  164.262      5.49404  219.2       272.426     100.839     272.426     
1 1 1 12 10 14 o 80.6165 2.38452 37.2846      2.97051  33.804       2.93298  47.0529     39.8634     52.0111     219.863     
1 1 1 12 10 15 o 76.9655 2.57689 34.9463      3.22384  29.9659      2.87041  37.4775     253.573     65.3453     73.5732     
1 1 1 12 10 16 o 64.0003 2.9764  23.6226      2.90441  21.3604      2.92266  34.4661     326.127     43.3367     146.127     
1 1 1 12 10 17 o 107.962 2.75044 64.7044      4.35763  62.7803      4.7566   79.2599     54.1619     43.124      234.162     
1 1 1 12 10 18 o 38.0807 4.6549  8.37393      2.80656  8.00863      2.45108  32.3312     119.791     128.497     119.791     
1 1 1 12 10 19 o 61.7436 3.7958  15.574       3.6744   27.3515      2.97332  48.9463     188.658     3.29        8.65757     
1 1 1 12 10 20 o 19.8709 5.39308 1.26553      2.42184  1.659        2.22039  19.3355     152.781     52.0759     152.781     
1 1 1 12 10 21 o 97.9179 2.40944 48.2066      3.47039  56.8159      3.78518  82.4849     71.4507     15.9496     251.451     
1 1 1 12 10 22 f 133.795 2.4017  97.3457      5.14369  98.29        4.7373   108.949     339.019     0           0           
1 1 1 12 10 23 o 260.46  2.21046 369.297      8.51508  371.732      9.20494  264.015     298.717     30.3871     298.717     
1 1 1 12 10 24 o 91.8953 2.50897 43.8066      3.56186  48.7673      3.51495  71.5662     32.1825     28.0593     212.182     
1 1 1 12 10 25 o 23.4741 5.17833 2.31929      2.06127  3.74533      2.13938  3.02294     335.571     27.0826     335.571     
1 1 1 12 10 26 o 142.352 2.53907 110.898      5.81644  111.154      5.29653  136.549     50.1203     4.84157     50.1202     
1 1 1 12 10 27 o 54.6674 3.32767 14.3959      2.5621   18.9189      2.9883   50.6882     35.1405     9.79938     35.1405     
1 1 1 12 10 28 o 25.7114 6.29382 2.23599      1.92595  5.21171      4.13774  0.163194    124.844     32.2957     124.844     
1 1 1 12 10 29 o 90.5259 3.01732 49.9103      3.67146  40.8437      4.54242  68.4146     141.487     31.6794     321.487     
1 1 1 12 10 30 o 82.5197 2.46925 39.9264      3.13728  35.1458      3.11536  83.7366     31.2404     15.2327     31.2404     
1 1 1 12 10 31 f 36.4235 3.80387 6.85544      2.06544  8.29891      2.05564  39.1374     1.65487     0           0           
1 1 1 12 10 32 o 26.2678 4.54497 3.76207      1.83067  4.37723      1.82073  14.1072     221.079     13.9566     41.079      
1 1 1 12 10 33 f 68.6546 2.65894 23.9366      2.78394  28.4974      2.80092  64.1932     86.1582     0           0           
1 1 1 12 10 34 o 59.8454 2.9872  19.2525      2.81972  20.8576      2.63476  57.5461     350.832     5.46743     350.832     
1 1 1 12 10 35 o 43.5657 3.66408 11.2455      2.57331  10.5041      2.24276  43.006      256.404     8.83041     256.404     
1 1 1 12 10 36 o 23.8919 4.75609 3.61362      1.8381   3.25862      1.81142  16.2724     287.487     2.85297     107.487     
1 1 1 12 10 37 o 59.1796 2.87857 21.8219      2.4882   17.67        2.67492  56.9188     318.85      5.61606     318.85      
1 1 1 12 10 38 o 45.1863 3.24684 11.4078      2.23157  11.9214      2.22283  47.8677     208.723     14.5911     208.723     
1 1 1 12 10 39 o 58.1383 2.79384 21.1239      2.48364  17.1534      2.46769  58.492      293.701     10.355      293.701     
1 1 1 12 10 40 o 28.0974 4.55371 5.69178      1.93203  4.10626      1.94287  23.5267     11.8688     0.555213    191.869     
1 1 1 12 10 41 o 23.2586 4.58891 5.46636      1.94902  1.10625      1.89178  12.9692     62.2297     12.1806     242.23      
1 1 1 12 10 42 o 15.1714 4.53399 0.76194      1.84494  0.197058     1.80778  4.26769     76.9347     5.89852     256.935     
1 1 1 12 10 43 o 17.2856 4.82313 1.41349      1.88487  1.36362      1.9015   7.72057     67.3067     3.0123      247.307     
1 1 1 12 10 44 o 20.3753 5.36837 2.58712      2.25071  2.46618      2.26057  4.97122     233.234     23.2388     53.2344     
1 1 1 12 10 45 o 55.7626 3.01682 18.4999      2.57111  18.0297      2.57014  60.0349     177.752     19.8024     177.752     
1 1 1 12 10 46 o 24.0174 5.8029  4.05205      2.59599  4.46432      2.56602  14.0321     69.8418     10.5206     69.8418     
1 1 1 12 10 47 o 18.5449 5.22002 1.01187      2.21154  2.93928      2.34833  13.7054     165.367     4.78321     165.367     
1 1 1 12 10 48 o 28.7288 5.02044 7.42295      2.20127  4.40041      2.34741  27.9012     349.061     8.35153     349.061     
1 1 1 12 10 49 f 19.1781 5.26342 1.98989      2.27485  3.05607      2.21958  15.9417     303.824     0           0           
1 1 1 12 10 50 o 15.228  4.67669 -0.241693    2.14648  1.6145       2.04349  10.4061     358.786     1.31629     358.786     
1 1 1 12 10 51 o 15.5985 4.77088 2.08495      2.0752   -0.697309    2.41301  9.69149     147.771     2.08989     147.771     
1 1 1 12 10 52 o 17.7974 4.63704 4.69566      2.13732  -1.9441      2.12194  13.0144     158.418     0.0267101   338.418     
1 1 1 12 10 53 o 16.5631 5.01414 1.39789      2.36409  2.00022      2.21645  10.4149     214.557     1.05156     34.5573     
1 1 1 12 10 54 o 14.4641 4.58655 1.75149      2.10392  -1.63874     2.44716  3.07474     286.371     2.11848     106.371     
1 1 1 12 10 55 o 13.6983 4.47217 0.590919     2.14041  -0.546706    2.31378  3.38603     81.7971     6.45872     261.797     
1 1 1 12 10 56 o 13.5336 4.46363 0.244604     2.14303  0.167094     2.42734  4.02503     282.234     0.212559    102.234     
1 1 1 12 10 57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 11 0  o 151.799 2.06059 125.682      4.8127   125.682      4.8127   143.178     180         8.20047     8.64784e-06 
1 1 1 12 11 1  o 74.6699 2.7604  36.3695      3.26858  25.1779      3.01653  61.8852     282.635     11.727      282.635     
1 1 1 12 11 2  o 66.5197 3.01585 24.3588      3.04043  24.1685      3.10481  46.5808     206.972     6.11964     206.972     
1 1 1 12 11 3  o 155.692 2.38695 129.785      5.72893  134.697      5.71466  111.192     156.018     72.0245     336.018     
1 1 1 12 11 4  o 220.64  2.21407 268.736      7.22333  262.271      7.8026   248.692     124.815     77.4195     124.815     
1 1 1 12 11 5  o 106.396 2.29387 61.5566      3.91     62.0477      3.58937  81.2573     279.171     31.7225     99.1705     
1 1 1 12 11 6  o 119.678 2.14455 75.2976      3.94726  81.0193      3.94962  84.2431     86.1864     54.0312     266.186     
1 1 1 12 11 7  o 204.126 1.99665 231.228      6.28157  223.163      6.26937  214.743     300.685     41.141      300.685     
1 1 1 12 11 8  o 129.501 2.11329 93.3513      4.22446  89.5759      4.20313  146.131     206.95      54.7524     206.95      
1 1 1 12 11 9  o 180.436 2.02131 178.094      5.61656  176.953      5.61593  196.274     66.8217     51.0746     66.8217     
1 1 1 12 11 10 o 69.1845 2.57909 25.171       2.73375  27.2438      2.73903  43.1892     251.292     32.5146     71.2918     
1 1 1 12 11 11 o 61.8847 2.7137  18.255       2.5593   23.916       2.54804  34.6214     95.3484     35.0598     275.348     
1 1 1 12 11 12 o 22.5701 4.87401 2.74537      1.85852  2.86734      1.84137  11.832      134.645     35.3162     134.645     
1 1 1 12 11 13 o 176.955 2.11746 171.957      5.9945   169.625      5.53914  156.716     277.895     23.4734     97.8947     
1 1 1 12 11 14 o 185.053 2.02917 184.289      5.789    189.239      5.77473  202.464     341.061     53.6631     341.061     
1 1 1 12 11 15 o 48.5133 3.16869 13.2309      2.34226  12.7226      2.3379   13.8845     3.88446     51.2997     183.884     
1 1 1 12 11 16 o 77.8932 2.51445 36.0483      3.01247  30.4541      2.98897  43.2731     188.796     54.5579     8.79597     
1 1 1 12 11 17 o 85.722  2.38685 41.3851      3.13505  38.9795      3.15133  78.2907     266.846     3.30215     266.846     
1 1 1 12 11 18 o 138.162 2.12866 104.146      4.53784  104.168      4.51973  137.601     282.317     16.5966     282.317     
1 1 1 12 11 19 o 102.465 2.42543 54.2912      3.97101  60.5935      3.63704  110.384     150.343     34.0877     150.343     
1 1 1 12 11 20 o 145.977 2.53925 120.988      5.70301  112.034      5.70155  129.963     146.448     15.4279     326.448     
1 1 1 12 11 21 o 94.8107 3.01441 46.3975      4.15917  52.3195      4.62402  75.7215     305.031     24.3411     125.031     
1 1 1 12 11 22 o 63.5053 3.6461  23.5823      3.72781  21.0519      3.34486  50.0061     92.9069     13.4597     272.907     
1 1 1 12 11 23 o 21.6956 5.42672 1.49387      2.34157  2.9668       2.26533  13.6897     310.347     53.144      310.347     
1 1 1 12 11 24 o 97.5238 2.64296 54.8422      3.75421  49.562       4.13216  122.027     264.462     67.2462     264.462     
1 1 1 12 11 25 o 45.4737 3.92641 11.9949      2.4861   11.1898      2.86153  19.7275     154.195     37.8133     334.195     
1 1 1 12 11 26 o 59.1135 3.29857 19.6406      3.05854  19.1016      2.89762  54.7775     174.367     7.43625     174.367     
1 1 1 12 11 27 o 16.2874 4.62732 0.315655     1.78266  1.09118      1.78891  10.0954     273.065     31.7348     273.065     
1 1 1 12 11 28 o 96.4945 2.52208 49.4937      3.8776   52.9756      3.58487  73.4716     217.6       32.7312     37.5996     
1 1 1 12 11 29 o 121.669 2.36514 82.2335      4.248    80.5512      4.59489  126.473     324.54      25.5177     324.54      
1 1 1 12 11 30 o 29.6962 4.33757 4.06326      1.90584  6.29642      1.93555  7.14175     339.561     35.8728     159.561     
1 1 1 12 11 31 o 18.396  4.81863 1.35734      1.86965  1.76694      1.76628  1.83301     58.0769     21.4837     238.077     
1 1 1 12 11 32 o 37.5092 4.69158 7.86036      2.82698  8.66727      2.35515  31.4592     86.0233     2.14927     266.023     
1 1 1 12 11 33 o 22.7054 5.01166 2.9738       1.86655  3.04101      2.02045  13.4002     206.103     3.09946     26.1026     
1 1 1 12 11 34 o 38.1774 3.85873 10.4515      2.17701  6.60231      2.13779  23.0457     189.838     21.8902     9.83807     
1 1 1 12 11 35 f 141.561 2.24566 109.693      4.92615  112.06       4.86307  107.794     61.9999     0           0           
1 1 1 12 11 36 o 15.5475 4.50889 0.754673     1.72301  0.535681     1.7285   2.94554     80.3181     10.4888     260.318     
1 1 1 12 11 37 o 26.1635 4.65739 5.09216      1.89061  3.27793      1.91045  25.2387     130.14      11.9867     130.14      
1 1 1 12 11 38 o 12.0526 3.91582 -1.1518      1.68006  -0.855967    1.64583  2.02898     40.1892     4.17181     220.189     
1 1 1 12 11 39 o 35.8598 4.07087 8.42887      2.07684  6.98193      2.23226  28.1228     112.06      7.35417     292.06      
1 1 1 12 11 40 o 24.6758 4.84754 4.50829      1.90663  3.18594      1.95444  16.0737     189.427     8.25415     9.42716     
1 1 1 12 11 41 o 59.1824 2.92281 23.927       2.60533  16.5082      2.60736  45.3682     137.376     16.7705     317.376     
1 1 1 12 11 42 o 28.0663 4.79769 4.30463      2.04475  5.80557      2.07831  17.1813     208.431     13.1407     28.4305     
1 1 1 12 11 43 o 67.7823 3.18178 24.3834      3.27753  29.4149      3.30311  71.6973     336.485     20.8614     336.485     
1 1 1 12 11 44 o 15.9988 4.72074 1.30303      1.97653  0.510835     1.91218  7.22077     162.523     5.28073     342.523     
1 1 1 12 11 45 o 11.6586 3.89515 -0.824648    1.8481   -2.35379     1.86526  2.13589     179.181     20.7684     179.181     
1 1 1 12 11 46 o 42.2994 4.51014 13.0823      2.85294  10.4565      2.80822  40.3517     133.151     5.79873     133.151     
1 1 1 12 11 47 o 30.3518 5.25994 6.40275      2.3992   6.85991      2.47946  26.1755     112.381     0.860814    112.381     
1 1 1 12 11 48 o 26.419  5.35286 3.84324      2.25975  6.77226      2.44554  18.6352     73.8981     7.32307     253.898     
1 1 1 12 11 49 o 21.4438 5.39749 3.30306      2.2252   3.85411      2.26771  18.968      352.521     3.79667     352.521     
1 1 1 12 11 50 o 15.6449 4.73004 2.93631      2.29967  -2.02138     2.18245  9.40244     251.275     3.12746     251.275     
1 1 1 12 11 51 o 18.2336 5.02976 -0.0739925   2.37031  4.08032      2.22324  7.98202     230.888     13.1714     50.8879     
1 1 1 12 11 52 o 15.1858 4.72618 0.446806     2.13328  1.49487      2.17553  8.80702     240.72      1.73733     60.7203     
1 1 1 12 11 53 o 14.287  4.61439 0.499135     2.35435  0.170818     2.16454  4.24577     183.561     2.63516     3.56099     
1 1 1 12 11 54 o 14.4591 4.66829 -1.06391     2.27024  1.64149      2.43265  3.67055     47.7763     5.36897     227.776     
1 1 1 12 11 55 o 12.7746 4.27642 -1.95298     2.12249  0.810891     2.35899  2.97792     1.81597     2.33594     181.816     
1 1 1 12 11 56 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 12 0  o 9.50939 4.49087 -0.617903    1.80247  -0.617903    1.80247  18.6946     360         38.8781     360         
1 1 1 12 12 1  o 62.9855 2.90412 22.9744      2.79727  20.5739      2.79846  43.7399     355.701     16.9001     355.701     
1 1 1 12 12 2  o 30.7797 5.23035 6.61525      2.55059  4.27571      2.38583  8.42219     57.1002     38.4403     57.1002     
1 1 1 12 12 3  o 103.262 2.60563 62.6645      4.14989  54.0433      4.10894  71.7924     320.802     46.0752     140.802     
1 1 1 12 12 4  o 213.677 2.23194 251.453      7.06548  246.646      7.60665  208.61      264.294     10.4229     264.294     
1 1 1 12 12 5  o 211.805 1.99563 241.333      6.50684  247.911      6.51006  198.251     258.268     6.92101     78.2679     
1 1 1 12 12 6  o 51.7018 3.0327  15.2301      2.41123  14.1871      2.37308  18.3271     130.035     44.8544     310.035     
1 1 1 12 12 7  o 275.439 1.96767 406.926      8.33849  420.466      8.35158  308.899     134.248     91.3228     134.248     
1 1 1 12 12 8  o 115.615 2.18153 76.3386      3.90079  69.6624      3.85579  141.801     183.101     75.0182     183.101     
1 1 1 12 12 9  o 189.198 2.0197  194.993      5.88928  195.417      5.87928  205.8       173.301     52.8958     173.301     
1 1 1 12 12 10 o 260.927 1.97182 373.234      7.93388  369.282      7.91155  282.674     180.28      67.1067     180.28      
1 1 1 12 12 11 o 57.1835 2.9231  19.7174      2.57033  16.2808      2.52773  21.3353     95.6304     145.566     95.6304     
1 1 1 12 12 12 o 63.5305 2.77514 20.5418      2.70125  23.7729      2.68955  39.0475     1.29917     31.1598     181.299     
1 1 1 12 12 13 o 82.2017 2.41914 35.8643      3.05387  38.0402      3.0551   94.9949     8.88543     56.0545     8.88543     
1 1 1 12 12 14 o 247.19  1.98547 333.375      7.55606  333.137      7.55916  259.794     203.89      49.1861     203.89      
1 1 1 12 12 15 o 64.2715 2.71433 21.0015      2.65696  24.3559      2.68146  20.7693     228.407     72.2864     48.407      
1 1 1 12 12 16 o 115.262 2.21944 74.8139      3.9502   70.3445      3.91912  142.218     231.179     76.2096     231.179     
1 1 1 12 12 17 o 109.98  2.24114 62.0808      3.78355  70.2065      3.789    95.9501     158.42      11.6759     338.42      
1 1 1 12 12 18 o 127.608 2.36383 88.7497      4.6445   89.2352      4.63742  81.3073     326.332     77.1966     146.332     
1 1 1 12 12 19 o 132.519 2.44903 94.387       5.23335  97.6265      4.73389  110.08      101.308     28.762      281.308     
1 1 1 12 12 20 o 163.601 2.36512 147.195      5.65699  145.355      6.24135  160.311     227.764     11.8427     227.764     
1 1 1 12 12 21 o 92.0356 2.65972 47.0484      3.39368  45.8292      4.08608  82.838      112.404     3.97154     292.404     
1 1 1 12 12 22 o 34.0479 5.28808 6.83327      2.69489  6.56574      2.69844  3.8458      198.798     62.9895     198.798     
1 1 1 12 12 23 o 73.5268 3.10979 26.866       3.4911   32.8901      3.4895   48.6731     343.572     36.3996     163.572     
1 1 1 12 12 24 o 61.9879 3.9173  25.0343      3.45596  18.0776      3.78504  28.8556     289.362     53.8111     109.362     
1 1 1 12 12 25 o 107.355 2.47118 62.3088      3.85234  64.2276      4.30065  108.49      48.482      18.3801     48.482      
1 1 1 12 12 26 o 19.4569 4.46201 -0.498411    1.88684  3.55129      1.72598  2.50078     227.102     16.8778     227.102     
1 1 1 12 12 27 o 44.1227 3.8751  9.73719      2.5876   12.3209      2.51797  34.4484     3.37688     5.76898     183.377     
1 1 1 12 12 28 o 52.0743 4.07272 15.2341      3.65062  15.4639      2.65816  40.5144     91.2429     11.7525     271.243     
1 1 1 12 12 29 o 50.3844 3.65319 14.1871      3.16633  14.4463      2.33035  57.1238     295.455     26.9062     295.455     
1 1 1 12 12 30 o 80.1804 2.56337 34.6617      3.04944  36.5147      3.26439  88.6154     49.9818     29.4137     49.9818     
1 1 1 12 12 31 o 58.2886 2.77303 20.278       2.46982  17.6203      2.46902  61.8814     8.23978     18.2299     8.23978     
1 1 1 12 12 32 o 68.8457 2.67104 25.8091      2.93706  26.9501      2.69175  69.2928     339.005     12.4571     339.005     
1 1 1 12 12 33 o 19.3977 4.75731 0.950349     1.78794  2.9164       1.82528  7.91536     254.968     7.77443     74.9684     
1 1 1 12 12 34 o 17.6463 4.65909 0.286723     1.74843  2.35856      1.8128   2.67183     336.142     19.2447     156.142     
1 1 1 12 12 35 o 17.2764 4.70601 0.0297079    1.76296  2.24328      1.92837  4.96557     310.711     12.4445     130.711     
1 1 1 12 12 36 o 26.6089 4.97861 4.14194      1.90958  4.59655      2.2348   12.6038     6.58481     20.484      186.585     
1 1 1 12 12 37 o 65.5562 2.77127 22.329       2.6639   26.2138      2.90635  64.1311     250.135     8.21552     250.135     
1 1 1 12 12 38 o 56.6689 2.87138 17.2449      2.46466  19.287       2.50928  48.8926     341.974     5.27387     161.974     
1 1 1 12 12 39 o 46.6709 3.22866 13.7911      2.26634  11.4706      2.29237  45.8234     266.204     8.46393     266.204     
1 1 1 12 12 40 o 49.0343 3.25857 11.0982      2.37546  17.114       2.3767   51.0666     325.11      14.9534     325.11      
1 1 1 12 12 41 o 33.1902 4.71287 6.35705      2.12341  7.5759       2.52972  16.9347     53.7264     24.0632     233.726     
1 1 1 12 12 42 o 24.3442 5.18071 1.93711      2.20812  5.83635      2.32241  16.9291     126.134     5.10087     306.134     
1 1 1 12 12 43 o 40.9085 3.94361 9.70539      2.38476  10.9776      2.44935  43.3729     138.138     15.4668     138.138     
1 1 1 12 12 44 o 12.3747 4.06877 -2.05967     1.94138  -0.329385    1.87066  2.65154     157.049     8.6989      337.049     
1 1 1 12 12 45 o 40.0863 4.84326 13.2433      2.84422  8.55058      2.83039  36.8716     198.291     3.14611     198.291     
1 1 1 12 12 46 o 35.9129 4.59061 8.5073       2.36169  8.76199      2.5275   41.3994     91.487      22.1406     91.487      
1 1 1 12 12 47 o 27.2582 5.37897 5.21963      2.48727  5.91254      2.23445  14.6825     148.1       17.152      328.1       
1 1 1 12 12 48 o 25.7005 5.55753 5.30381      2.37835  5.15762      2.4311   26.1537     25.046      10.8159     25.046      
1 1 1 12 12 49 o 15.0162 4.75487 0.977076     2.24496  -0.0526063   2.31621  8.77905     294.194     3.01187     114.194     
1 1 1 12 12 50 o 30.1521 5.27583 7.06767      2.34932  7.11546      2.52547  22.8344     332.887     5.73164     152.887     
1 1 1 12 12 51 o 18.098  5.39267 2.40355      2.37712  2.54646      2.76379  9.64523     238.027     5.19881     238.027     
1 1 1 12 12 52 o 18.9749 5.43704 3.1715       2.41434  2.84873      2.54126  11.6909     353.079     3.78148     173.079     
1 1 1 12 12 53 o 24.2201 5.62256 5.10371      2.50775  5.38583      2.35355  19.468      186.811     7.62745     186.811     
1 1 1 12 12 54 o 13.1957 4.40427 -1.16676     2.32213  0.320539     2.37448  2.85179     183.304     2.64149     3.30403     
1 1 1 12 12 55 o 14.3697 4.63637 1.63588      2.2065   -0.305614    2.47971  6.90426     60.0574     1.17776     60.0574     
1 1 1 12 13 0  o 124.099 2.30156 84.1077      4.39141  84.1077      4.39141  130.327     180         22.4498     180         
1 1 1 12 13 1  o 245.399 2.12746 329.157      8.03774  327.766      8.04105  257.208     225.516     47.4673     225.516     
1 1 1 12 13 2  o 240.426 2.30123 311.797      8.51775  318.987      8.52107  269.506     137.964     82.142      137.964     
1 1 1 12 13 3  o 20.3575 5.42271 1.94299      2.32706  1.38821      2.31141  21.4261     203.718     57.446      203.718     
1 1 1 12 13 4  o 98.8222 2.38324 50.9021      3.48935  55.863       3.75503  99.7922     237.855     21.149      237.855     
1 1 1 12 13 5  o 121.502 2.18125 77.2865      4.07559  83.8974      4.07771  137.918     287.978     53.0165     287.978     
1 1 1 12 13 6  o 98.059  2.32323 47.6579      3.49715  57.6295      3.48359  108.935     132.472     43.2876     132.472     
1 1 1 12 13 7  o 45.9507 3.40016 12.2115      2.37779  11.1505      2.35926  13.6621     357.112     43.8172     177.112     
1 1 1 12 13 8  o 129.778 2.15087 89.4323      4.29789  94.3475      4.29655  138.375     167.474     36.5585     167.474     
1 1 1 12 13 9  o 105.792 2.25995 61.257       3.69443  60.9853      3.66034  120.98      302.904     52.0392     302.904     
1 1 1 12 13 10 o 32.6505 4.35769 6.88323      2.12312  5.24425      2.09107  8.70793     8.63961     59.4507     8.63961     
1 1 1 12 13 11 o 134.436 2.13666 95.1236      4.42038  102.14       4.42192  100.777     63.6874     49.9392     243.687     
1 1 1 12 13 12 o 65.5307 2.73148 21.4666      2.74191  25.7154      2.72697  38.5863     331.85      36.2179     151.85      
1 1 1 12 13 13 o 24.235  5.04009 3.04708      2.04916  3.52573      1.97193  11.2996     310.835     39.5195     310.835     
1 1 1 12 13 14 o 32.84   4.33371 6.75521      2.10926  5.50208      2.10667  13.2131     99.1295     74.4533     99.1295     
1 1 1 12 13 15 o 109.384 2.25867 66.5925      3.79548  64.1703      3.80415  105.601     296.06      9.95152     296.06      
1 1 1 12 13 16 o 21.0651 4.98868 2.52024      1.91111  2.09079      1.90498  5.63113     171.09      20.3128     171.09      
1 1 1 12 13 17 o 55.3214 4.13487 21.6841      2.84897  12.9268      3.60098  52.3191     165.869     17.0609     165.869     
1 1 1 12 13 18 o 74.5813 2.92867 25.9431      3.19894  35.5439      3.47541  58.6708     211.875     17.9549     31.8749     
1 1 1 12 13 19 o 134.773 2.21723 95.9256      4.42476  102.647      4.7795   126.969     214.088     1.91103     214.088     
1 1 1 12 13 20 o 35.3613 3.99719 6.84783      2.10112  7.28177      2.10417  16.2358     265.36      16.1306     85.3604     
1 1 1 12 13 21 o 118.29  2.33121 78.0919      4.25844  75.1671      4.22544  111.891     200.828     4.30785     200.828     
1 1 1 12 13 22 o 99.1143 2.44651 49.3273      3.71831  58.629       3.71656  80.4067     273.872     21.8542     93.8725     
1 1 1 12 13 23 o 53.8605 3.13042 15.5981      2.58273  16.5605      2.56137  32.7115     194.073     28.7942     14.0731     
1 1 1 12 13 24 o 22.4029 5.17535 3.73567      2.30346  1.77131      1.86699  0.223953    355.98      14.6462     175.98      
1 1 1 12 13 25 o 30.7591 5.06868 6.91883      2.53382  4.27241      2.21739  15.8532     353.612     8.28482     173.612     
1 1 1 12 13 26 o 112.939 2.50545 70.4099      4.5456   70.0274      4.14988  113.442     1.97953     17.4398     1.97953     
1 1 1 12 13 27 f 52.2635 3.40136 15.3928      2.50394  15.2235      2.88978  47.0893     65.6507     0           0           
1 1 1 12 13 28 o 38.6363 3.7857  8.73284      2.03849  8.29201      2.32209  32.2269     221.108     2.15491     41.1081     
1 1 1 12 13 29 o 14.6077 4.31827 0.975448     1.62987  -0.76475     1.74579  0.574114    88.0339     12.8033     88.0339     
1 1 1 12 13 30 o 48.7508 3.58369 13.9226      2.79514  13.0614      2.50559  27.8892     34.6385     32.5418     214.638     
1 1 1 12 13 31 o 40.1799 3.85708 10.8914      2.45947  7.82951      2.17662  35.6554     171.132     1.21776     171.132     
1 1 1 12 13 32 o 37.4154 4.08786 5.90078      2.28894  10.7396      2.04562  25.7541     279.967     14.1454     99.9671     
1 1 1 12 13 33 o 68.4372 2.79895 26.1861      3.03767  26.2849      2.83193  70.6445     97.0413     16.7145     97.0413     
1 1 1 12 13 34 o 14.9345 4.42389 -0.548058    1.74875  1.0588       1.76369  4.96895     102.943     31.9446     102.943     
1 1 1 12 13 35 o 71.1222 2.63418 30.0654      2.77889  26.6757      2.94832  70.972      119.065     11.9763     119.065     
1 1 1 12 13 36 o 32.9786 4.12727 6.05048      1.98731  6.96767      2.04942  19.1856     251.429     20.1761     71.4289     
1 1 1 12 13 37 o 51.828  3.04212 17.6577      2.39317  13.2246      2.3756   46.8484     21.264      0.258907    21.2645     
1 1 1 12 13 38 o 55.506  2.92538 17.5191      2.46395  17.7207      2.50091  62.2255     8.77743     25.3047     8.77743     
1 1 1 12 13 39 o 39.6495 3.79828 9.05227      2.18222  9.69862      2.33732  36.7576     59.5818     4.33736     59.5818     
1 1 1 12 13 40 o 24.6758 5.31853 3.3785       2.21976  4.58266      2.22531  20.696      219.669     7.39404     219.669     
1 1 1 12 13 41 o 20.5523 5.27348 3.07681      2.17751  2.08643      2.16086  13.0281     57.1462     4.06411     57.1463     
1 1 1 12 13 42 o 16.9745 4.89492 1.15733      1.99522  1.41538      2.04277  8.50199     272.603     4.25469     92.6026     
1 1 1 12 13 43 o 24.2881 5.53974 3.6325       2.31847  4.82705      2.42254  14.5473     266.616     11.3098     86.6158     
1 1 1 12 13 44 o 16.7099 4.865   -1.78548     2.59028  2.60467      2.05485  10.1256     318.093     3.4883      318.093     
1 1 1 12 13 45 o 22.345  5.54801 3.21799      2.3687   4.11668      2.38182  17.3697     61.6599     0.00586202  61.6588     
1 1 1 12 13 46 o 16.2405 4.88352 0.967282     2.01383  1.33248      2.25285  9.20452     307.58      0.806621    127.58      
1 1 1 12 13 47 o 17.198  4.89012 2.88694      2.0743   0.318846     2.10903  11.82       79.9223     1.82607     259.922     
1 1 1 12 13 48 o 20.9658 5.4397  3.15253      2.21039  3.84603      2.39154  10.4272     30.3997     13.7443     210.4       
1 1 1 12 13 49 o 32.3699 5.34925 9.97757      2.59346  6.55904      2.74191  28.4993     48.9277     2.01126     48.9276     
1 1 1 12 13 50 o 14.3355 4.60307 -1.6479      2.27842  1.61367      2.31154  6.56536     265.675     6.06647     85.6754     
1 1 1 12 13 51 f 16.6605 5.0501  2.14968      2.25817  1.33979      2.41145  5.31697     333.475     0           0           
1 1 1 12 13 52 o 17.9964 5.22265 3.65063      2.39448  1.10087      2.42461  8.5471      233.671     5.11356     53.6708     
1 1 1 12 13 53 o 15.8357 4.95493 1.35685      2.53604  1.61218      2.25317  6.7589      91.7653     3.55154     271.765     
1 1 1 12 13 54 o 13.7722 4.54985 -0.165211    2.34089  0.711297     2.43672  2.2952      353.597     0.296048    353.597     
1 1 1 12 13 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 14 0  o 139.89  2.26979 106.829      4.88367  106.829      4.88367  192.332     1.7292e-09  117.79      1.7292e-09  
1 1 1 12 14 1  o 214.605 2.24731 247.062      7.12771  255.555      7.72208  217.526     76.2234     30.1661     76.2234     
1 1 1 12 14 2  o 25.1507 5.66652 2.41896      2.86365  4.1266       2.2386   12.2857     351.36      43.6667     351.36      
1 1 1 12 14 3  o 70.9988 3.00521 28.0933      3.42982  27.2115      3.10762  51.0037     244.14      21.0416     64.14       
1 1 1 12 14 4  o 15.6509 4.57509 -3.08872     1.96272  1.7906       2.12971  45.9722     315.764     105.711     315.764     
1 1 1 12 14 5  o 114.885 2.27926 67.9626      3.8861   76.3245      4.17175  124.588     358.565     40.3906     358.565     
1 1 1 12 14 6  o 167.806 2.07258 154.863      5.3564   152.362      5.35455  192.192     229.196     71.6188     229.196     
1 1 1 12 14 7  o 157.745 2.09119 138.436      5.08491  133.099      5.07323  75.3944     270.096     145.911     90.0955     
1 1 1 12 14 8  o 172.396 2.05594 159.877      5.46401  164.421      5.45087  122.668     149.367     78.76       329.367     
1 1 1 12 14 9  o 81.8665 2.48962 37.0272      3.14011  36.3129      3.12225  83.644      168.739     26.3714     168.739     
1 1 1 12 14 10 o 106.782 2.27393 56.4343      3.71671  68.4537      3.72738  79.7408     317.599     36.9836     137.599     
1 1 1 12 14 11 o 99.0625 2.32856 52.447       3.54487  54.846       3.54817  83.904      34.9674     12.9546     214.967     
1 1 1 12 14 12 o 64.5685 2.7995  24.8267      2.77725  21.0147      2.74982  60.0328     154.589     12.608      154.589     
1 1 1 12 14 13 o 83.921  2.7015  33.8961      3.15638  43.5833      3.81803  69.3316     331.909     13.0218     151.909     
1 1 1 12 14 14 o 64.8982 2.85256 23.4612      2.75451  22.8132      2.91355  34.5191     341.389     47.0614     161.389     
1 1 1 12 14 15 o 99.107  2.50372 56.6917      3.83108  50.9267      3.79227  81.0437     103.179     20.8677     283.179     
1 1 1 12 14 16 f 18.3096 4.82604 2.40215      1.93618  -0.038507    1.92472  17.4053     10.7516     0           0           
1 1 1 12 14 17 o 78.1225 2.80496 31.5903      3.47111  35.5045      3.22672  92.5971     311.883     49.2477     311.883     
1 1 1 12 14 18 o 58.7194 2.80778 18.2326      2.52439  19.7526      2.51988  52.7026     108.991     5.54133     108.991     
1 1 1 12 14 19 o 60.2546 2.77689 22.5546      2.55885  17.5875      2.53672  54.9565     271.6       7.17026     271.6       
1 1 1 12 14 20 o 34.5681 4.148   7.4418       2.13397  6.17831      2.11545  10.8428     327.552     29.0756     147.552     
1 1 1 12 14 21 o 78.0731 2.94512 33.9408      3.88323  33.2836      3.1373   87.484      153.096     37.0065     153.096     
1 1 1 12 14 22 o 84.1675 2.51667 37.857       3.4193   40.0489      3.06714  78.8347     115.836     4.79689     115.836     
1 1 1 12 14 23 o 68.8657 2.74654 26.3109      2.99932  26.0405      2.79951  52.9982     98.8916     18.376      278.892     
1 1 1 12 14 24 o 15.3584 4.22247 -1.3994      1.63672  1.92846      1.62048  6.80536     285.736     24.6928     285.736     
1 1 1 12 14 25 o 33.8326 3.88213 7.00669      1.96844  6.10646      1.93388  11.5654     352.351     34.2783     172.351     
1 1 1 12 14 26 o 78.1152 2.61249 34.6269      3.13918  32.8812      3.12674  72.3927     251.652     1.59463     251.652     
1 1 1 12 14 27 o 29.0782 5.40634 5.93866      2.44916  4.21404      2.50249  20.8935     234.371     4.18223     54.3709     
1 1 1 12 14 28 o 22.0631 5.29994 2.27357      2.13181  3.10573      2.18691  9.0824      12.7851     13.5652     192.785     
1 1 1 12 14 29 o 27.5956 5.11133 2.63841      2.34773  6.49323      2.2905   18.8168     308.258     5.92997     128.258     
1 1 1 12 14 30 o 35.2225 3.91558 6.25111      2.01047  8.21658      2.07655  20.0418     332.074     21.3991     152.074     
1 1 1 12 14 31 o 24.1924 4.41216 1.03831      1.78682  5.90882      1.93858  3.42287     288.328     33.6003     108.328     
1 1 1 12 14 32 o 56.194  3.21223 19.8016      2.72032  16.0727      2.75947  44.5031     30.6163     12.5364     210.616     
1 1 1 12 14 33 o 23.9868 5.01198 2.80379      2.07154  4.14347      1.95157  16.5912     92.1452     4.22065     272.145     
1 1 1 12 14 34 o 16.902  4.81323 0.997209     1.98646  1.02931      1.86157  0.767774    277.995     25.194      97.9948     
1 1 1 12 14 35 o 28.0704 4.83488 5.6397       2.17583  4.20405      1.97898  23.021      241.488     1.29881     61.4879     
1 1 1 12 14 36 o 18.9505 4.9188  1.44172      1.93145  2.37547      1.872    11.4423     196.753     0.428426    196.753     
1 1 1 12 14 37 o 16.7944 4.73119 1.97575      1.94077  0.13561      1.84481  5.26525     168.327     0.912559    348.327     
1 1 1 12 14 38 o 62.8378 2.78147 21.4956      2.66475  23.5494      2.68743  64.9167     25.0583     17.2515     25.0583     
1 1 1 12 14 39 o 26.5554 5.30137 4.51922      2.29104  4.7889       2.23659  10.4528     269.963     23.738      89.9632     
1 1 1 12 14 40 o 20.1896 5.31068 2.51346      2.24619  2.39246      2.1644   13.0494     57.1093     0.701194    237.109     
1 1 1 12 14 41 o 41.4821 4.09175 12.7004      2.58693  8.8879       2.44409  37.2656     241.659     1.95786     241.659     
1 1 1 12 14 42 o 13.2492 4.32391 -0.936335    2.04333  -0.721408    2.07307  3.4632      49.0062     9.50664     229.006     
1 1 1 12 14 43 o 30.9502 5.08647 7.21791      2.3895   6.12851      2.37397  26.5749     212.356     0.273446    212.357     
1 1 1 12 14 44 o 17.4578 5.11378 -0.790909    2.25894  3.22433      2.5303   5.04372     134.501     2.21567     134.501     
1 1 1 12 14 45 o 16.564  4.94169 1.07335      2.06058  1.51948      2.25282  9.42606     78.7748     2.67308     258.775     
1 1 1 12 14 46 o 26.9793 5.88705 4.41445      2.25265  7.80469      3.14838  27.6766     100.173     12.1469     100.173     
1 1 1 12 14 47 o 17.1744 4.97072 0.95748      2.13453  2.57275      2.13223  9.38276     89.739      5.22406     89.739      
1 1 1 12 14 48 o 33.5313 4.87871 7.33429      2.3955   9.26257      2.47799  32.8347     28.5655     8.92799     28.5655     
1 1 1 12 14 49 o 27.558  5.41789 5.74594      2.35559  6.70496      2.41945  24.5924     84.7048     3.97804     84.7048     
1 1 1 12 14 50 o 19.0546 5.42515 4.70007      2.7311   1.28059      2.28957  12.8547     17.8229     1.55502     197.823     
1 1 1 12 14 51 o 14.9876 4.79874 1.48181      2.38359  -0.380936    2.45745  3.81724     261.299     3.02193     81.2992     
1 1 1 12 14 52 o 14.159  4.58986 0.510363     2.22123  0.228083     2.31412  1.99737     25.0759     1.11186     205.076     
1 1 1 12 14 53 o 14.1117 4.62772 1.23491      2.47709  -0.214154    2.33007  5.58838     84.1178     6.56126     264.118     
1 1 1 12 14 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 15 0  o 79.7102 2.93984 34.9491      3.58597  34.9491      3.58597  87.4451     360         24.4249     360         
1 1 1 12 15 1  o 62.0113 3.11434 18.2351      2.93446  24.27        2.92315  50.8132     148.44      1.13639     148.44      
1 1 1 12 15 2  o 58.1338 3.51941 19.3314      3.12986  17.9804      3.10799  26.017      37.0578     47.0049     217.058     
1 1 1 12 15 3  o 139.397 2.30999 103.8        4.95294  108.397      4.96259  147.689     19.2935     38.1707     19.2935     
1 1 1 12 15 4  o 301.052 2.05551 494.368      9.19507  494.694      9.85187  316.232     112.289     65.0715     112.289     
1 1 1 12 15 5  o 116.426 2.22481 77.1542      3.98072  71.0018      3.98402  88.9764     205.932     36.8102     25.9317     
1 1 1 12 15 6  o 64.3644 2.92303 22.7509      2.77653  22.7512      2.98309  56.6622     121.662     6.2275      121.662     
1 1 1 12 15 7  o 136.136 2.15431 93.2325      4.48085  109.412      4.5339   113.358     230.951     26.1643     50.9509     
1 1 1 12 15 8  o 174.468 2.06235 167.178      5.55162  165.083      5.52985  180.553     310.16      35.3969     310.16      
1 1 1 12 15 9  o 29.5923 5.08676 2.83378      2.11514  7.48922      2.64549  9.9824      144.295     62.1735     144.295     
1 1 1 12 15 10 o 70.8362 2.74589 26.2659      2.87584  28.8252      3.09298  55.7435     132.222     14.2645     312.222     
1 1 1 12 15 11 o 136.478 2.14089 104.488      4.51715  98.9853      4.4799   130.7       126.586     7.77073     126.586     
1 1 1 12 15 12 o 154.604 2.09729 127.68       4.99756  133.423      4.98648  151.695     333.357     15.1745     333.357     
1 1 1 12 15 13 o 38.8203 4.26964 11.569       2.40632  5.89208      2.36361  18.9177     41.4706     21.2231     221.471     
1 1 1 12 15 14 o 194.289 2.17654 199.91       6.5126   212.781      6.50609  210.413     322.824     57.9361     322.824     
1 1 1 12 15 15 o 145.986 2.23191 121.645      5.03498  111.526      4.99435  128.596     125.236     14.2014     305.236     
1 1 1 12 15 16 o 68.3007 2.6256  24.2657      2.74192  27.0428      2.75454  63.9812     242.285     8.83121     242.285     
1 1 1 12 15 17 o 75.5149 2.77183 32.5103      3.5104   30.2538      2.90293  77.7538     64.0942     23.0544     64.0942     
1 1 1 12 15 18 o 42.0451 4.02423 12.7696      2.93419  7.51098      2.15385  22.5197     138.529     22.3969     318.529     
1 1 1 12 15 19 o 100.821 2.3865  58.7673      3.71757  52.8726      3.67636  100.418     340.413     16.8849     340.413     
1 1 1 12 15 20 o 104.532 2.29303 55.9767      3.79257  64.0674      3.54624  95.1624     140.804     1.50612     320.805     
1 1 1 12 15 21 o 56.9737 2.75356 20.679       2.39175  15.4069      2.37106  47.1426     109.221     5.69613     289.221     
1 1 1 12 15 22 f 54.5606 2.80783 16.768       2.34228  16.2265      2.343    47.9255     340.265     0           0           
1 1 1 12 15 23 o 19.5625 4.6243  3.06871      1.77308  0.842159     1.67246  0.217998    238.549     22.8795     238.55      
1 1 1 12 15 24 o 31.8627 4.11929 3.80923      1.93461  8.26421      1.87721  18.7329     203.687     15.1767     23.687      
1 1 1 12 15 25 o 14.9439 4.19419 1.78963      1.66149  -1.23052     1.52017  0.309091    162.82      4.99561     342.82      
1 1 1 12 15 26 o 33.9748 4.16263 6.79222      2.11314  6.62889      2.08473  25.8868     81.1324     5.51608     261.132     
1 1 1 12 15 27 o 15.4717 4.45149 0.894964     1.60445  0.336749     1.74529  0.0312379   137.794     16.0449     137.795     
1 1 1 12 15 28 o 35.9415 3.87183 7.13956      2.05948  7.8199       2.08887  30.9046     134.386     0.841861    134.386     
1 1 1 12 15 29 f 18.4792 4.83151 0.612756     2.07011  2.34112      1.74129  12.7413     42.6068     0           0           
1 1 1 12 15 30 o 75.8565 2.90017 33.0428      3.37719  31.5234      3.37161  66.1256     9.16077     5.77282     189.161     
1 1 1 12 15 31 f 17.7606 5.16399 0.943657     2.36342  0.902128     2.17546  21.8216     197.037     0           0           
1 1 1 12 15 32 o 26.7916 4.75878 4.90854      1.98394  3.89486      1.9499   22.6199     285.591     2.08469     285.591     
1 1 1 12 15 33 o 62.7825 2.96117 24.0062      2.72423  20.7029      2.93252  69.6132     235.823     25.9097     235.823     
1 1 1 12 15 34 f 44.482  3.64769 11.389       2.37954  11.7399      2.52427  44.9527     326.846     0           0           
1 1 1 12 15 35 o 66.6021 2.72679 25.676       2.86275  24.6107      2.70661  78.7732     192.338     38.3564     192.338     
1 1 1 12 15 36 o 25.5376 4.69556 1.9221       2.01678  6.32866      2.04762  17.3        167.539     6.68386     347.539     
1 1 1 12 15 37 o 17.046  4.77931 1.679        1.87292  0.803295     1.89375  5.53643     167.292     11.5095     347.292     
1 1 1 12 15 38 o 17.657  5.08392 1.27426      2.2092   1.32818      2.13797  3.9613      249.574     0.339661    249.574     
1 1 1 12 15 39 o 16.6991 4.92029 1.62225      2.13471  0.236473     2.1217   6.54513     113.057     1.08212     293.057     
1 1 1 12 15 40 o 25.6834 5.35378 3.66897      2.51576  5.4363       2.15616  19.1813     1.61718     3.29197     181.617     
1 1 1 12 15 41 o 16.8879 5.00222 1.21444      2.12968  1.18185      2.2435   10.2912     301.746     0.890966    121.746     
1 1 1 12 15 42 o 30.8925 5.0233  8.68368      2.37422  4.74293      2.41637  27.4666     251.76      2.59154     251.76      
1 1 1 12 15 43 o 25.9823 5.93438 4.56652      2.47747  6.03811      2.93504  18.8595     136.58      4.6845      316.579     
1 1 1 12 15 44 o 21.7516 5.43933 3.87039      2.17498  3.18518      2.4244   18.4162     149.392     5.43433     149.392     
1 1 1 12 15 45 o 33.4836 4.78897 6.83476      2.34313  9.09577      2.42747  27.6607     227.946     2.26005     47.9455     
1 1 1 12 15 46 o 24.7618 5.61705 5.4879       2.53531  4.59046      2.31928  18.6475     193.223     3.46624     13.2228     
1 1 1 12 15 47 o 16.7496 4.99733 1.25712      2.13763  2.11019      2.28326  10.635      13.8372     1.82199     193.837     
1 1 1 12 15 48 o 18.7744 5.30422 1.65633      2.22744  3.85149      2.48049  13.9086     125.423     6.34929     125.423     
1 1 1 12 15 49 o 15.2217 4.82972 1.10809      2.16832  0.499576     2.57388  7.44215     217.612     1.01459     37.6124     
1 1 1 12 15 50 o 20.828  5.20537 5.63233      2.31157  1.2092       2.44429  10.7253     203.943     4.92901     203.943     
1 1 1 12 15 51 o 15.4611 4.87033 1.35338      2.35394  1.03441      2.33511  5.58947     81.5463     3.95865     261.546     
1 1 1 12 15 52 o 13.6422 4.51478 -1.99191     2.43175  1.59324      2.44694  2.25916     335.886     0.123462    155.886     
1 1 1 12 15 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 16 0  o 34.8212 5.65153 7.60566      2.6388   7.60566      2.6388   13.8743     4.44086e-06 27.8352     180         
1 1 1 12 16 1  o 38.3658 4.94592 5.25177      2.92005  11.9807      2.51221  9.3658      343.444     82.9        343.444     
1 1 1 12 16 2  o 53.6777 3.39438 18.4289      3.01812  13.6096      2.53743  49.6033     200.801     16.4088     200.801     
1 1 1 12 16 3  o 172.01  2.23637 166.592      5.9219   156.713      5.92119  163.401     258.34      6.47477     258.34      
1 1 1 12 16 4  o 116.856 2.42011 70.242       3.98158  79.2929      4.71999  95.1131     180.258     25.3779     0.257996    
1 1 1 12 16 5  o 149.679 2.34574 131.435      4.9632   113.814      5.73889  144.129     321.248     10.4045     321.248     
1 1 1 12 16 6  o 55.8538 3.09682 20.6803      2.62109  14.0431      2.58726  53.5445     332.058     16.3698     332.058     
1 1 1 12 16 7  o 185.389 2.04527 193.06       5.85238  182.38       5.82247  183.13      223.075     20.8466     223.075     
1 1 1 12 16 8  o 144.734 2.12186 119.609      4.73496  109.369      4.71684  151.176     293.463     34.6663     293.463     
1 1 1 12 16 9  o 31.4883 4.57076 4.31919      2.10491  7.16297      2.18814  10.024      303.663     13.4925     123.663     
1 1 1 12 16 10 o 59.8231 2.86656 16.4471      2.58169  23.2538      2.6093   32.1678     131.727     40.9739     311.727     
1 1 1 12 16 11 o 145.952 2.26063 119.241      5.08808  113.771      5.07172  136.99      307.965     3.98812     307.965     
1 1 1 12 16 12 o 105.711 2.70844 58.2073      4.76808  64.5245      3.94136  96.7087     188.992     0.522689    188.991     
1 1 1 12 16 13 o 82.0508 2.95701 39.1555      4.16478  35.0245      3.26856  70.2926     99.6422     6.42803     279.642     
1 1 1 12 16 14 o 57.4344 3.16041 18.8097      3.06837  17.7053      2.45806  42.2607     77.9858     13.7802     257.986     
1 1 1 12 16 15 o 61.3281 2.69504 22.4579      2.52524  19.0543      2.52593  24.9476     239.564     59.2064     59.5636     
1 1 1 12 16 16 o 86.8901 2.41895 43.7658      3.15253  39.2073      3.29089  94.0734     9.20049     32.89       9.20049     
1 1 1 12 16 17 o 23.0114 4.47624 4.82645      1.81851  1.03248      1.79537  1.69531     36.8988     28.2575     36.8988     
1 1 1 12 16 18 o 42.8559 3.34696 9.9554       2.17118  10.5966      2.17075  31.8871     332.039     6.0182      152.039     
1 1 1 12 16 19 o 35.1666 3.63922 6.73984      1.925    7.27644      1.89582  20.7337     188.042     13.8372     8.04203     
1 1 1 12 16 20 o 46.2409 3.01617 11.2756      2.12317  12.5732      2.11776  31.8471     195.131     16.3775     15.1314     
1 1 1 12 16 21 o 81.0433 2.34067 38.1767      2.92133  34.2435      2.90282  53.792      232.008     40.4774     52.0077     
1 1 1 12 16 22 o 55.7121 2.87948 15.4597      2.42929  19.1831      2.45611  45.7833     141.861     8.1407      321.861     
1 1 1 12 16 23 o 62.6137 2.94271 25.3082      2.65416  18.6344      2.8879   63.2462     337.362     13.9946     337.362     
1 1 1 12 16 24 o 68.1369 2.50481 26.2487      2.6364   25.2111      2.60157  61.5884     255.209     0.217015    75.2089     
1 1 1 12 16 25 o 41.94   3.75866 9.55975      2.45849  10.5841      2.2618   24.6197     70.2598     24.8263     250.26      
1 1 1 12 16 26 o 35.0716 4.07891 9.42459      1.96111  5.17206      2.13444  33.596      291.372     9.77205     291.372     
1 1 1 12 16 27 o 73.6131 2.5575  31.876       2.88633  28.5011      2.88672  72.0967     57.5173     11.0358     57.5173     
1 1 1 12 16 28 o 73.337  2.55497 31.914       2.8711   28.0859      2.8722   67.3377     338.972     1.97955     338.972     
1 1 1 12 16 29 o 15.4544 4.50328 0.913565     1.74362  0.229948     1.73716  2.94044     292.772     27.4814     292.772     
1 1 1 12 16 30 o 21.0493 4.83132 2.53259      1.77754  2.66364      1.80532  13.3047     90.72       3.30277     270.72      
1 1 1 12 16 31 o 40.8664 3.55688 8.09597      2.15752  11.3759      2.15917  29.3199     80.09       13.9214     260.09      
1 1 1 12 16 32 o 50.3236 3.65419 17.7266      2.86261  12.0001      2.66017  39.9939     343.291     10.0486     163.291     
1 1 1 12 16 33 o 18.4874 5.23548 1.45293      2.26334  1.43669      2.26209  7.42056     245.554     12.2701     65.5542     
1 1 1 12 16 34 o 14.5647 4.52639 0.388597     1.80296  -0.796934    2.18068  2.69601     172.155     10.103      352.155     
1 1 1 12 16 35 o 28.5102 4.8134  3.58749      2.12225  6.84836      2.15015  14.8978     106.262     18.1784     286.262     
1 1 1 12 16 36 o 32.5195 4.70042 8.19436      2.24159  5.2483       2.30644  35.1691     33.6285     20.4902     33.6285     
1 1 1 12 16 37 o 20.3476 5.2975  2.09439      2.26099  2.83408      2.13866  12.62       15.3809     1.9375      195.381     
1 1 1 12 16 38 o 23.6393 5.30866 5.10258      2.28225  2.38417      2.25664  15.5235     28.1189     6.17595     208.119     
1 1 1 12 16 39 o 26.8969 5.1265  4.26496      2.11654  5.71741      2.2499   17.2639     70.1774     10.3064     250.177     
1 1 1 12 16 40 o 20.8933 5.57561 2.40439      2.25763  3.57913      2.64375  16.9247     44.2907     3.39658     44.2907     
1 1 1 12 16 41 f 19.2651 5.08613 3.67063      2.19842  0.901552     2.06565  12.8126     280.454     0           0           
1 1 1 12 16 42 o 24.2149 5.16004 2.30237      2.39639  6.04591      2.19215  18.5689     4.89093     1.33251     184.891     
1 1 1 12 16 43 f 23.2153 5.90977 5.23727      2.87889  3.46886      2.53923  15.2978     157.3       0           0           
1 1 1 12 16 44 o 23.3107 5.32046 6.54694      2.50844  1.86949      2.26601  20.3305     307.079     3.30704     307.079     
1 1 1 12 16 45 o 18.6969 5.1091  0.772916     2.25143  3.87533      2.2244   11.7325     339.905     5.47699     159.905     
1 1 1 12 16 46 o 24.7952 5.30133 2.99966      2.44502  6.9579       2.35459  17.9576     353.84      4.5049      173.84      
1 1 1 12 16 47 o 16.051  4.87036 0.303704     2.12604  2.41789      2.27418  8.96738     356.628     4.28294     176.628     
1 1 1 12 16 48 o 16.2154 4.94235 2.06878      2.24211  0.966436     2.28036  5.53641     137.453     12.4771     317.453     
1 1 1 12 16 49 o 10.941  3.77676 -1.52478     2.04906  -3.47637     2.16489  0.148468    136.247     2.89092     136.247     
1 1 1 12 16 50 o 13.2196 4.34362 -2.77487     2.18745  1.3945       2.26189  0.78443     111.86      0.933973    291.86      
1 1 1 12 16 51 o 16.5655 5.09482 1.63145      2.34142  2.8534       2.51921  9.49488     234.306     2.05558     54.3062     
1 1 1 12 16 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 17 0  f 188.637 2.64402 194.531      7.67356  194.531      7.67356  136.19      6.80535e-06 0           0           
1 1 1 12 17 1  o 32.7847 5.15419 6.32907      2.45808  6.08605      2.61164  11.695      195.423     10.7913     15.4233     
1 1 1 12 17 2  o 73.1034 3.03649 30.8345      3.85248  28.0456      2.92605  37.4873     132.603     56.1919     312.603     
1 1 1 12 17 3  o 79.8971 2.82897 35.213       3.61392  34.9486      3.31951  62.0362     250.4       18.9155     70.4001     
1 1 1 12 17 4  o 75.29   2.68215 29.5684      2.94997  32.7416      3.25125  84.3665     4.57103     39.7173     4.57103     
1 1 1 12 17 5  o 107.425 2.24713 62.7564      3.72429  63.583       3.70177  85.6211     266.469     24.7787     86.4688     
1 1 1 12 17 6  o 137.965 2.21562 101.064      4.847    107.179      4.55055  116.599     350.134     20.6348     170.134     
1 1 1 12 17 7  o 49.2858 3.18471 12.3607      2.38723  14.6078      2.37757  25.2618     246.074     32.2156     66.0739     
1 1 1 12 17 8  o 92.636  2.33642 44.9943      3.32041  49.1155      3.33017  98.0859     298.542     31.0115     298.542     
1 1 1 12 17 9  o 153.333 2.48244 136.769      6.45766  121.116      5.25984  141.406     323.234     0.569236    323.234     
1 1 1 12 17 10 o 132.331 2.45432 87.9554      5.19093  104.394      4.72522  118.119     230.903     6.43158     50.9029     
1 1 1 12 17 11 o 25.1762 5.03009 3.61739      2.06184  3.67819      2.01035  2.21668     87.3195     33.0367     87.3195     
1 1 1 12 17 12 o 123.065 2.18824 79.9637      3.9909   86.0511      4.2976   121.361     183.343     17.9165     183.343     
1 1 1 12 17 13 o 80.0564 2.3982  35.1613      2.96678  35.2544      2.93258  67.7709     86.2723     7.94488     266.272     
1 1 1 12 17 14 o 21.3502 4.6391  1.95441      1.6601   3.14497      1.72702  12.1882     37.5987     52.7785     37.5987     
1 1 1 12 17 15 o 50.4996 3.06079 12.1565      2.3305   16.3387      2.34043  44.9884     159.465     5.30707     159.465     
1 1 1 12 17 16 o 10.1595 3.33012 -0.429128    1.29322  -2.04908     1.24788  27.6464     169.752     64.4839     169.752     
1 1 1 12 17 17 o 62.4682 2.57985 23.1251      2.54194  20.0407      2.39829  43.3944     9.44362     24.8334     189.444     
1 1 1 12 17 18 f 45.402  3.03647 11.7287      2.10241  11.2927      2.09249  36.571      72.0925     0           0           
1 1 1 12 17 19 o 112.701 2.10278 71.1694      3.6534   68.4641      3.63806  92.4004     58.2072     21.7161     238.207     
1 1 1 12 17 20 o 116.331 2.12509 77.9423      3.82069  70.9892      3.78455  125.444     191.477     38.0749     191.477     
1 1 1 12 17 21 o 75.4095 2.43903 34.1391      2.7407   28.8763      2.87891  72.2439     356.184     8.05192     356.184     
1 1 1 12 17 22 o 30.3337 4.13576 6.57449      1.85633  4.27521      1.85352  19.7381     187.682     10.3244     7.68187     
1 1 1 12 17 23 o 100.121 2.17256 58.5293      3.34688  52.1889      3.33633  98.0169     240.711     13.7697     240.711     
1 1 1 12 17 24 o 41.4605 3.70883 7.74411      2.36058  12.2034      2.05049  13.6313     283.955     46.1867     103.955     
1 1 1 12 17 25 o 14.6757 4.15533 -1.59486     1.64267  1.72466      1.58917  0.667977    310.966     3.83729     130.966     
1 1 1 12 17 26 o 37.0815 3.71516 9.58988      2.00196  6.45815      2.03884  24.2421     64.7172     15.6537     244.717     
1 1 1 12 17 27 o 74.5044 2.54405 32.087       2.90518  29.8527      2.91172  65.6743     293.318     2.94975     113.318     
1 1 1 12 17 28 o 33.0223 4.12408 7.03908      2.02149  5.89766      2.01239  23.0323     145.825     10.5261     325.825     
1 1 1 12 17 29 o 41.2337 3.65831 12.4152      2.19095  7.59363      2.2092   27.6238     82.92       17.7136     262.92      
1 1 1 12 17 30 o 34.0136 4.16132 8.47188      2.12248  5.51138      2.04228  30.2835     118.528     2.07629     118.528     
1 1 1 12 17 31 o 31.047  4.43677 5.21716      2.09901  6.60857      1.99165  22.6684     18.7613     7.45759     198.761     
1 1 1 12 17 32 f 19.2992 4.9251  2.58879      1.89332  1.53877      1.90074  9.79591     212.516     0           0           
1 1 1 12 17 33 o 19.2551 4.69746 -0.114655    1.89558  3.75014      1.9448   10.0651     221.122     5.9235      41.122      
1 1 1 12 17 34 o 17.9225 5.04195 1.58684      2.14441  1.31251      2.02482  7.41926     231.407     1.30378     51.4067     
1 1 1 12 17 35 o 22.4024 4.82288 -0.560988    2.18695  6.00338      2.31214  15.0531     65.9569     2.78735     245.957     
1 1 1 12 17 36 o 33.1662 5.37248 5.98846      2.37877  8.96429      3.01355  31.5491     308.05      8.67449     308.05      
1 1 1 12 17 37 o 16.2526 4.79749 1.22969      1.92906  0.663643     2.09323  4.95927     205.388     12.7214     25.388      
1 1 1 12 17 38 o 25.4239 5.45983 5.36067      2.38378  3.88022      2.30943  19.385      62.6198     2.31366     242.62      
1 1 1 12 17 39 o 16.922  5.08258 0.9888       2.38837  1.29013      2.23617  0.988919    279.937     25.1911     99.9371     
1 1 1 12 17 40 o 14.2362 4.53556 0.800335     2.05583  -1.75906     2.31914  5.73423     202.083     4.65105     22.0827     
1 1 1 12 17 41 o 21.4369 5.38703 4.09029      2.2975   2.62506      2.22644  16.4801     1.99309     7.90537     1.99309     
1 1 1 12 17 42 o 19.079  5.54913 1.50124      2.3908   3.38352      2.86351  12.0449     120.058     4.49811     300.059     
1 1 1 12 17 43 o 19.3076 5.26465 3.83273      2.19162  0.989864     2.633    15.6426     212.483     2.55006     212.483     
1 1 1 12 17 44 o 12.5046 4.16745 -1.26399     2.08128  -0.774849    2.08344  4.62568     57.5438     5.36324     237.544     
1 1 1 12 17 45 o 19.5078 5.29931 3.46656      2.22845  2.49669      2.28807  15.0691     56.7917     2.38737     56.7917     
1 1 1 12 17 46 f 15.4968 4.77816 -0.391744    2.16757  2.33066      2.26825  16.5803     189.322     0           0           
1 1 1 12 17 47 o 15.2318 4.84343 1.71696      2.50491  -0.0645193   2.26812  5.64865     113.281     8.28712     293.281     
1 1 1 12 17 48 o 15.5035 4.95384 0.539043     2.48569  1.31405      2.56306  3.8071      177.608     2.96859     357.608     
1 1 1 12 17 49 o 15.3637 4.85882 2.2713       2.33361  -0.652986    2.63276  5.51547     145.109     3.14563     325.109     
1 1 1 12 17 50 o 14.6752 4.72757 1.03776      2.37958  1.00934      2.32978  5.99139     38.4767     7.07405     218.477     
1 1 1 12 17 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 18 0  o 105.088 2.59384 60.5726      4.18586  60.5726      4.18586  101.42      6.08307e-06 8.08089     6.08308e-06 
1 1 1 12 18 1  o 45.337  4.142   14.1404      2.7724   9.28127      2.75967  36.9504     353.194     9.37688     353.194     
1 1 1 12 18 2  o 82.29   2.56804 35.177       3.37873  39.3104      3.0812   71.8359     179.234     2.70625     359.234     
1 1 1 12 18 3  o 34.8569 4.51345 6.5476       2.32353  7.40055      2.34082  4.72068     219.762     45.0535     39.7624     
1 1 1 12 18 4  o 75.9288 3.13115 30.1953      3.97935  33.5494      3.21528  79.7332     117.142     27.4318     117.142     
1 1 1 12 18 5  o 21.3249 5.53898 1.42909      3.05244  2.41617      1.86739  5.43476     169.809     29.3932     169.809     
1 1 1 12 18 6  o 17.7973 4.64784 -0.483301    1.9244   2.47841      1.78332  7.57053     112.482     26.4866     112.482     
1 1 1 12 18 7  o 51.0267 3.23693 14.4053      2.53008  14.5398      2.5025   33.1044     303.664     20.3525     123.664     
1 1 1 12 18 8  f 28.4666 4.75625 4.45362      2.06862  4.9793       2.03743  28.3423     232.278     0           0           
1 1 1 12 18 9  o 81.9023 2.53391 36.5571      3.19714  37.2593      3.1785   60.5574     339.078     26.0478     159.077     
1 1 1 12 18 10 o 87.2746 2.37142 40.4208      3.0714   43.3266      3.29175  80.8071     156.033     4.93739     156.033     
1 1 1 12 18 11 o 28.4026 4.28198 6.06451      1.81296  3.3836       1.84082  9.94622     333.65      18.7666     153.65      
1 1 1 12 18 12 o 14.335  4.18239 0.598331     1.4952   0.131831     1.50693  11.401      337.956     34.5225     337.956     
1 1 1 12 18 13 f 29.0623 4.19182 5.07394      1.81072  4.71617      1.81386  21.6045     277.933     0           0           
1 1 1 12 18 14 o 91.6527 2.32393 46.6467      3.28979  45.827       3.25937  88.5103     51.026      11.3871     51.026      
1 1 1 12 18 15 o 127.387 2.09534 89.4926      4.2325   88.6972      3.98522  126.859     190.465     21.2831     190.465     
1 1 1 12 18 16 o 16.6997 4.26985 1.42958      1.40514  1.25282      1.41634  0.290141    349.547     17.2062     349.547     
1 1 1 12 18 17 o 55.0369 2.64294 17.1618      2.23893  16.4784      2.21403  47.0223     65.8982     3.67676     245.898     
1 1 1 12 18 18 o 67.4525 2.36298 23.4785      2.4369   26.8881      2.44845  67.4057     307.731     14.1354     307.731     
1 1 1 12 18 19 o 14.4282 3.91187 -0.447605    1.33283  1.57667      1.31006  10.8108     334.558     41.5628     334.558     
1 1 1 12 18 20 o 43.2074 3.08021 11.761       1.96292  9.33266      2.0418   28.1464     152.527     19.3807     332.527     
1 1 1 12 18 21 o 55.6324 2.67184 15.3903      2.25765  19.2365      2.27076  38.6376     210.195     21.9042     30.1951     
1 1 1 12 18 22 o 13.8662 3.98525 -0.531857    1.40723  1.15543      1.39251  0.513254    309.926     10.597      309.926     
1 1 1 12 18 23 o 59.6841 2.65675 19.6075      2.526    20.2005      2.32402  51.1797     296.126     3.89564     116.126     
1 1 1 12 18 24 o 65.7994 2.71746 23.13        2.82968  25.3385      2.63456  54.6285     191.119     8.41679     11.1189     
1 1 1 12 18 25 o 23.0833 4.65745 3.70405      1.68356  2.67561      1.83532  5.5577      176.542     26.2638     356.542     
1 1 1 12 18 26 o 18.2667 4.64585 1.79782      1.67753  1.70532      1.65527  7.34572     198.446     10.7004     18.4462     
1 1 1 12 18 27 o 34.8371 3.88831 6.76103      2.05699  7.53323      1.96489  24.1834     22.7959     12.1051     202.796     
1 1 1 12 18 28 o 15.7902 4.47808 1.48346      1.72202  0.149161     1.66109  0.575509    298.868     22.9684     118.868     
1 1 1 12 18 29 o 17.2893 4.29005 -1.22953     1.71807  3.18188      1.71473  7.83009     344.747     0.583373    344.747     
1 1 1 12 18 30 o 22.5031 4.67723 1.53471      1.87247  4.60104      1.85327  15.8198     9.36102     1.42392     189.361     
1 1 1 12 18 31 o 18.3267 4.85095 1.75099      1.85309  1.81586      1.83876  8.41962     86.4868     6.65511     266.487     
1 1 1 12 18 32 o 89.9528 2.51166 49.1114      3.483    42.3883      3.44869  90.5542     357.113     20.9157     357.113     
1 1 1 12 18 33 o 47.2893 3.56074 13.8647      2.50329  12.5932      2.58942  46.5551     259.202     11.4745     259.202     
1 1 1 12 18 34 o 16.2465 4.88613 0.788504     2.08276  0.578933     2.19697  5.63594     152.982     3.15817     332.982     
1 1 1 12 18 35 o 29.5517 4.93832 8.9509       2.3994   2.97294      2.36686  22.0821     103.848     4.5959      283.848     
1 1 1 12 18 36 o 39.6348 3.9704  10.1679      2.35829  9.42036      2.34933  36.6688     70.8521     5.41484     70.8521     
1 1 1 12 18 37 o 25.0312 5.68899 5.99153      2.76442  3.36567      2.26973  22.3519     297.748     5.62511     297.748     
1 1 1 12 18 38 o 28.3413 5.78433 4.71497      2.66254  7.42842      2.77505  23.2327     313.934     0.0454132   133.935     
1 1 1 12 18 39 o 14.856  4.5636  -1.81659     2.04648  1.86163      2.11891  4.57146     2.33747     10.8602     182.337     
1 1 1 12 18 40 o 18.8034 5.19917 3.3243       2.23712  1.07522      2.30571  13.1724     347.335     2.80769     347.335     
1 1 1 12 18 41 o 17.9734 5.31963 -0.792459    2.93572  3.43341      2.51965  12.8151     109.68      0.411551    109.68      
1 1 1 12 18 42 o 15.0576 4.73322 1.59381      2.17475  -1.24493     2.467    8.81409     317.984     2.34706     137.984     
1 1 1 12 18 43 f 21.3156 5.43841 4.10865      2.26773  3.29108      2.33545  13.0723     134.102     0           0           
1 1 1 12 18 44 o 12.46   4.168   0.0114325    2.16458  -2.53279     2.13687  1.88079     29.5704     12.9341     209.57      
1 1 1 12 18 45 o 19.7267 5.34017 3.9617       2.27296  2.44961      2.35649  15.8333     113.514     6.23792     113.514     
1 1 1 12 18 46 o 23.8985 5.32028 7.20058      2.43685  2.51322      2.47519  20.5238     30.0497     7.7852      30.0497     
1 1 1 12 18 47 o 17.2309 5.11554 0.700284     2.30024  3.3803       2.43224  6.48494     311.426     7.34751     131.426     
1 1 1 12 18 48 f 15.6158 4.93719 -0.368676    2.26785  2.97843      2.66392  8.20073     99.1398     0           0           
1 1 1 12 18 49 o 12.6677 4.27727 -1.21216     2.35357  -0.173418    2.33129  2.54042     3.25163     0.562096    183.252     
1 1 1 12 18 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 19 0  o 23.2576 6.90992 4.26701      2.48796  4.26701      2.48796  3.42722     180         21.5855     3.59716e-05 
1 1 1 12 19 1  o 42.9016 4.00023 10.4707      2.27721  10.3792      2.83538  19.9225     126.978     32.4904     306.978     
1 1 1 12 19 2  o 148.402 2.2658  110.326      5.17052  131.831      5.15233  160.486     97.573      51.1476     97.573      
1 1 1 12 19 3  o 195.077 2.19754 208.982      6.6007   208.493      6.60199  201.131     189.479     45.8274     189.479     
1 1 1 12 19 4  o 151.135 2.15553 130.903      5.20916  119.763      4.82631  159.981     176.157     44.9616     176.157     
1 1 1 12 19 5  o 37.7463 4.03027 7.30283      2.32666  8.98025      2.1712   23.2926     86.196      13.953      266.196     
1 1 1 12 19 6  o 50.1971 3.36922 15.3144      2.74142  12.9225      2.40848  54.6718     156.199     29.7826     156.199     
1 1 1 12 19 7  o 14.8615 4.41408 0.629827     1.75175  -0.202951    1.69054  12.6985     319.559     40.6109     319.559     
1 1 1 12 19 8  o 35.9204 3.56114 8.09945      1.91405  6.56266      1.89937  24.5854     318.242     8.01659     138.242     
1 1 1 12 19 9  o 32.2567 4.18837 6.01976      2.07653  6.00846      1.92931  24.3066     155.084     8.29718     155.084     
1 1 1 12 19 10 o 110.578 2.40889 66.7064      3.96137  68.0481      4.23027  125.958     61.1408     52.3064     61.1408     
1 1 1 12 19 11 o 58.3625 3.08099 16.3782      2.91401  21.795       2.43459  54.1495     78.9206     5.70307     78.9206     
1 1 1 12 19 12 o 64.7363 2.62006 24.8728      2.6737   21.6214      2.52666  54.2036     176.249     7.1056      356.249     
1 1 1 12 19 13 o 16.4878 4.23766 0.792341     1.42937  1.71478      1.40116  2.73737     274.002     26.5881     274.002     
1 1 1 12 19 14 o 49.2627 2.6823  13.6852      2.01656  13.3353      2.0213   31.9611     237.138     23.0031     57.1383     
1 1 1 12 19 15 o 62.9316 2.36627 20.8323      2.28823  23.0247      2.2762   42.1395     87.8137     28.2802     267.814     
1 1 1 12 19 16 o 32.9082 3.34876 5.40002      1.64102  7.00139      1.62803  24.0716     313.213     6.14187     133.213     
1 1 1 12 19 17 o 65.3943 2.26556 22.804       2.28132  24.5266      2.26451  42.7379     145.608     31.5706     325.608     
1 1 1 12 19 18 o 35.6437 3.52658 6.41392      1.70583  8.20903      2.06555  31.1991     119.303     3.53915     119.303     
1 1 1 12 19 19 o 15.1719 4.20788 1.47974      1.7044   0.321603     1.1678   8.16552     109.951     37.6799     109.951     
1 1 1 12 19 20 o 34.8915 3.39037 5.95475      1.65011  8.09233      1.89277  17.6725     267.61      24.4081     87.61       
1 1 1 12 19 21 o 10.6938 3.35905 -0.297877    1.11603  -0.366385    1.09767  4.44667     353.365     15.9894     353.365     
1 1 1 12 19 22 o 33.7422 3.34295 7.76442      1.58867  5.41821      1.70987  29.6134     287.479     3.51416     287.479     
1 1 1 12 19 23 o 31.8922 5.37698 7.09012      3.142    5.59709      2.07442  23.5896     299.631     5.76559     119.631     
1 1 1 12 19 24 o 16.9204 4.41698 0.117756     1.76369  2.17278      1.51063  4.72614     281.818     14.5237     101.818     
1 1 1 12 19 25 o 69.5799 3.29382 29.7835      3.88079  25.5904      3.13621  65.4908     198.404     6.92199     198.404     
1 1 1 12 19 26 o 17.5859 4.4913  2.63038      1.72065  0.37074      1.58068  5.60612     43.7161     15.2439     223.716     
1 1 1 12 19 27 o 52.9425 2.87254 16.6318      2.32719  15.2899      2.3175   46.1452     102.778     0.862158    282.778     
1 1 1 12 19 28 o 31.91   4.21537 7.14498      1.99982  5.31445      1.9791   29.9608     31.5793     8.03698     31.5793     
1 1 1 12 19 29 o 27.045  4.80409 4.22242      2.03814  5.0708       1.97068  9.15181     121.248     26.7368     301.248     
1 1 1 12 19 30 o 15.6611 4.4811  1.87146      1.77137  -0.812572    1.84219  4.19578     225.664     4.45446     45.664      
1 1 1 12 19 31 o 67.7207 2.68319 26.971       2.87376  25.2949      2.70072  68.1007     57.9909     17.3592     57.9909     
1 1 1 12 19 32 o 54.8175 3.15606 17.6027      2.64956  17.4878      2.63261  44.0697     310.898     7.61536     130.898     
1 1 1 12 19 33 o 16.5885 4.88837 -0.192963    2.08667  1.91128      2.17435  4.85204     242.355     0.177436    62.3548     
1 1 1 12 19 34 o 21.6329 5.4541  4.21713      2.39051  1.96707      2.33402  8.70442     261.656     16.9196     81.6556     
1 1 1 12 19 35 o 44.7221 3.77429 13.547       2.46491  11.2396      2.58348  46.2062     247.123     15.5979     247.123     
1 1 1 12 19 36 o 25.5703 5.42811 4.17945      2.273    5.34849      2.36478  22.118      8.60646     3.55023     8.60646     
1 1 1 12 19 37 o 15.3886 4.75927 0.465231     2.11755  0.622495     2.16698  4.54805     250.572     12.6228     70.5722     
1 1 1 12 19 38 o 28.379  5.40204 5.74229      2.36865  6.22469      2.45778  25.2299     121.203     5.29826     121.203     
1 1 1 12 19 39 o 18.128  5.20454 2.58185      2.3581   1.52857      2.19769  7.18679     280.436     13.579      100.436     
1 1 1 12 19 40 o 15.746  5.0129  -0.000172976 2.78733  0.9492       2.37886  5.97471     233.328     2.91484     233.328     
1 1 1 12 19 41 o 20.2851 5.58157 0.817723     2.31136  5.68321      2.96242  15.8447     61.895      9.24319     61.895      
1 1 1 12 19 42 o 17.5878 5.07235 3.36767      2.25594  0.329884     2.37187  11.6624     73.9997     0.664842    254         
1 1 1 12 19 43 o 16.2111 4.95441 2.357        2.27899  0.225591     2.39062  9.08283     168.224     2.35854     168.224     
1 1 1 12 19 44 o 22.0676 5.57389 5.02726      2.41688  3.5787       2.4426   18.1653     6.03072     4.78711     6.03071     
1 1 1 12 19 45 o 17.0286 5.11207 1.1437       2.3069   2.75657      2.40893  6.40941     16.0474     0.295775    196.047     
1 1 1 12 19 46 o 15.5347 4.8755  1.81982      2.29713  0.393761     2.4251   1.75272     143.608     0.539295    323.608     
1 1 1 12 19 47 o 16.6375 5.08113 3.05064      2.41653  1.18356      2.42943  8.37216     87.102      3.42053     267.102     
1 1 1 12 19 48 o 14.8794 4.78864 0.55174      2.40428  1.64679      2.43117  6.9788      107.161     1.76364     107.161     
1 1 1 12 20 0  o 78.5561 2.71269 34.0886      3.26355  34.0886      3.26355  92.2481     180         41.3923     180         
1 1 1 12 20 1  o 38.2529 3.82348 8.394        2.33169  8.30858      2.0359   21.0777     137.234     22.8955     317.234     
1 1 1 12 20 2  o 78.0552 2.91386 31.3739      3.47339  36.4021      3.49232  79.2393     224.369     19.4935     224.369     
1 1 1 12 20 3  o 30.8728 5.00302 5.61402      2.34029  5.7029       2.31468  20.3975     172.854     7.7918      352.854     
1 1 1 12 20 4  o 87.888  2.63952 44.8076      3.34209  40.7349      3.74678  86.6992     322.425     15.8705     322.425     
1 1 1 12 20 5  o 37.692  4.1696  7.39587      2.11325  9.03415      2.5741   31.9966     213.685     1.58746     213.685     
1 1 1 12 20 6  o 80.3158 2.6306  31.3002      3.08328  40.4537      3.39808  62.6522     174.282     18.7544     354.282     
1 1 1 12 20 7  o 55.623  2.69925 18.3256      2.29103  16.1078      2.2965   58.1619     204.506     19.6121     204.506     
1 1 1 12 20 8  o 45.0017 3.07353 11.1568      2.06403  11.5769      2.14296  46.9782     230.54      18.2497     230.54      
1 1 1 12 20 9  o 67.8613 2.5211  24.785       2.63408  26.267       2.61401  75.1402     56.1072     30.7107     56.1072     
1 1 1 12 20 10 o 97.0824 2.28043 55.7824      3.41574  48.3946      3.38209  92.3781     151.277     10.4059     151.277     
1 1 1 12 20 11 o 94.9043 2.19909 50.7399      3.305    48.6469      3.11399  98.8691     49.7863     27.7205     49.7863     
1 1 1 12 20 12 o 28.5523 3.71154 5.71181      1.57044  3.82256      1.55505  21.8735     68.5723     0.568025    68.5723     
1 1 1 12 20 13 o 38.739  2.9111  8.13228      1.71736  8.76649      1.69939  33.0393     201.912     0.961747    201.912     
1 1 1 12 20 14 f 25.056  3.94243 2.16495      1.39421  5.45516      1.6525   25.5327     145.775     0           0           
1 1 1 12 20 15 o 21.8061 4.55649 4.11646      1.53009  0.40098      2.35856  10.765      97.0983     7.34022     277.098     
1 1 1 12 20 16 o 43.1741 4.27807 11.0395      3.16611  10.7445      2.27831  28.8005     279.398     16.9988     99.3975     
1 1 1 12 20 17 o 35.2086 5.00006 6.54975      2.69056  8.48375      2.53264  26.6978     277.294     5.05555     97.294      
1 1 1 12 20 18 o 63.8421 3.59465 22.9732      3.7931   23.5588      3.1705   54.4429     56.9966     3.84356     236.997     
1 1 1 12 20 19 o 18.8289 5.20607 2.66951      2.38667  -0.043004    2.17378  6.86859     276.57      9.53943     96.5697     
1 1 1 12 20 20 o 70.24   3.65714 25.3813      3.84636  31.3323      3.9863   67.3661     84.3564     10.4026     84.3564     
1 1 1 12 20 21 o 14.7525 4.58862 -2.53936     2.17693  0.90939      2.12121  3.46049     92.22       7.34518     272.22      
1 1 1 12 20 22 f 24.5568 5.99119 3.0926       3.17422  4.04087      2.44207  19.2848     148.53      0           0           
1 1 1 12 20 23 o 21.471  5.8869  2.71375      2.74856  1.90931      2.83427  14.807      174.832     1.34303     354.832     
1 1 1 12 20 24 o 28.864  6.10353 5.32169      2.59333  5.68521      3.27253  15.9851     330.779     15.9397     150.779     
1 1 1 12 20 25 o 47.7338 4.33703 12.1546      3.04889  15.3831      3.14697  43.3579     322.508     4.17972     322.508     
1 1 1 12 20 26 o 40.3716 5.24291 10.9679      3.15554  9.791        3.12033  42.4866     151.243     18.0665     151.243     
1 1 1 12 20 27 o 26.1321 5.72341 5.58969      2.57719  3.38649      2.62398  18.0681     108.5       11.111      108.5       
1 1 1 12 20 28 o 19.9092 5.42963 1.02019      2.44916  2.95608      2.38703  8.7723      337.984     10.3113     157.984     
1 1 1 12 20 29 o 21.4098 5.58166 3.10242      2.41454  2.42679      2.45589  12.451      203.723     3.4992      203.723     
1 1 1 12 20 30 o 39.6294 4.1475  5.81873      2.11769  14.3785      2.62322  43.961      354.428     22.867      354.428     
1 1 1 12 20 31 o 15.7207 4.90228 0.194896     1.91487  0.342922     2.69175  4.95925     184.538     2.51507     4.53842     
1 1 1 12 20 32 o 32.3005 4.92611 5.34478      2.42169  8.74071      2.36966  25.0789     53.6707     3.53428     233.671     
1 1 1 12 20 33 o 43.1002 3.72723 12.6945      2.3454   10.2714      2.44722  34.8527     1.35017     4.40215     181.35      
1 1 1 12 20 34 o 13.9496 4.33355 1.17921      1.87935  -1.51212     1.89763  5.89375     46.7359     1.45181     226.736     
1 1 1 12 20 35 o 19.7832 5.23938 3.11761      2.1599   2.09085      2.18927  12.2939     242.152     4.70544     62.1525     
1 1 1 12 20 36 o 11.9231 4.04074 -1.41528     2.25209  -2.38784     1.96197  1.50299     17.4208     5.91836     197.421     
1 1 1 12 20 37 o 22.5377 5.43587 2.85696      2.32097  4.83249      2.32173  18.4202     50.6501     3.26155     50.6501     
1 1 1 12 20 38 o 46.8325 3.8523  14.6446      2.75283  13.7758      2.69893  45.7217     318.721     11.3374     318.721     
1 1 1 12 20 39 o 25.5498 4.98514 1.34342      2.64525  8.30142      2.38552  27.1642     187.058     16.2853     187.058     
1 1 1 12 20 40 o 15.2963 4.92224 0.2328       2.50266  0.653267     2.58453  6.98722     324.413     6.89135     144.413     
1 1 1 12 20 41 o 29.4075 5.02283 10.2506      2.47466  3.56535      2.53927  26.9575     119.076     6.51023     119.076     
1 1 1 12 20 42 o 12.6951 4.24953 -3.38655     2.39798  0.377001     2.21483  3.93051     324.045     1.90518     144.045     
1 1 1 12 20 43 o 18.0443 5.30249 1.2654       2.50295  3.57796      2.49508  6.41275     188.934     2.2916      188.934     
1 1 1 12 20 44 o 14.6696 4.72672 0.0652384    2.19653  1.0038       2.49999  2.54175     6.80072     4.04932     186.801     
1 1 1 12 20 45 o 21.0612 5.64888 3.77728      2.4597   4.72537      2.59241  14.1005     338.374     4.49201     338.374     
1 1 1 12 20 46 o 16.2771 5.08234 2.58595      2.44385  1.40016      2.61207  8.09028     127.487     4.84706     307.487     
1 1 1 12 20 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 21 0  o 59.8758 3.73492 20.311       3.37926  20.311       3.37926  36.6754     180         34.7162     8.65144e-06 
1 1 1 12 21 1  o 67.0243 3.10369 21.1781      3.24838  29.4786      2.99768  73.0152     267.748     28.7612     267.748     
1 1 1 12 21 2  o 25.7209 4.96917 6.48641      2.24669  0.850719     2.43773  16.7339     283.892     2.32609     103.892     
1 1 1 12 21 3  o 21.7666 5.16191 3.0609       1.97929  2.19769      2.13994  0.113521    193.652     33.8293     193.652     
1 1 1 12 21 4  o 86.1871 2.39387 39.1095      3.07126  43.1839      3.27153  93.0482     333.098     33.2518     333.098     
1 1 1 12 21 5  o 103.887 2.27667 62.143       3.53301  57.1838      3.72629  117.716     238.979     50.3864     238.979     
1 1 1 12 21 6  o 25.5043 4.33758 5.24072      1.72572  2.53551      1.73715  13.9732     307.418     6.28963     307.418     
1 1 1 12 21 7  o 11.78   3.73212 -0.151302    1.4276   -1.0242      1.39104  7.52491     13.0314     26.2227     13.0314     
1 1 1 12 21 8  o 77.4565 2.67286 33.9965      3.42436  32.8301      2.91871  67.1073     331.053     3.13511     151.053     
1 1 1 12 21 9  o 46.5385 2.87904 11.9606      2.07112  12.3717      2.01155  32.7979     115.515     14.9742     295.515     
1 1 1 12 21 10 o 56.9122 2.59495 18.7313      2.21211  17.4142      2.3046   51.8233     36.7071     4.38749     36.707      
1 1 1 12 21 11 o 41.1022 3.12831 10.2531      1.81423  8.92283      2.04424  39.4112     201.759     10.1311     201.759     
1 1 1 12 21 12 o 41.5429 3.59005 7.96482      2.08814  12.0611      2.37773  22.9198     51.8784     25.7363     231.878     
1 1 1 12 21 13 o 64.1588 2.55554 22.2156      2.53669  23.711       2.48831  51.2485     359.518     10.4528     179.518     
1 1 1 12 21 14 o 73.7717 3.22117 30.9957      3.7959   30.5364      3.48123  66.3966     280.969     2.60488     280.969     
1 1 1 12 21 15 o 20.5429 5.31672 3.16311      2.30946  1.06674      2.20656  6.34955     8.11029     17.125      188.11      
1 1 1 12 21 16 o 43.4014 4.46687 12.0557      2.85938  10.292       2.91257  36.0968     195.599     2.15539     15.5993     
1 1 1 12 21 17 o 33.4152 4.94941 9.3053       2.51047  4.61897      2.4634   30.7096     204.532     6.87742     204.532     
1 1 1 12 21 18 o 21.8332 5.19715 0.52589      2.26915  4.4809       2.29334  5.03306     251.739     25.1337     71.7387     
1 1 1 12 21 19 o 22.6999 5.57392 4.14377      2.47785  1.74517      2.44584  15.1305     77.1493     4.83191     257.149     
1 1 1 12 21 20 o 19.3462 4.90336 -3.00705     2.30227  4.48076      2.4304   11.5337     205.216     4.07361     25.216      
1 1 1 12 21 21 o 58.6273 3.88737 19.1056      3.66587  21.2838      3.20436  51.9496     256.17      1.42821     256.17      
1 1 1 12 21 22 o 60.2351 4.46842 19.6903      3.70047  24.2223      4.47523  53.8466     228.818     2.67932     228.818     
1 1 1 12 21 23 o 26.062  6.32762 7.09055      3.19135  -0.628363    4.35534  20.9444     59.6916     5.17474     59.6916     
1 1 1 12 21 24 o 56.1231 4.10919 17.3762      3.5711   20.4423      3.37562  37.8598     253.049     21.9429     73.0491     
1 1 1 12 21 25 o 15.648  4.81787 1.67417      2.38879  -2.90735     2.33773  3.25917     308.243     3.14064     128.243     
1 1 1 12 21 26 o 51.213  4.25041 14.6674      3.27736  17.2526      3.27317  50.7769     325.124     14.1855     325.124     
1 1 1 12 21 27 o 18.2142 5.28095 -0.103206    2.53277  2.38486      2.39168  7.05304     331.005     9.61615     151.005     
1 1 1 12 21 28 f 42.0632 4.62869 9.87796      2.86753  12.6308      2.89698  32.133      196.52      0           0           
1 1 1 12 21 29 o 14.6148 4.71265 0.0853203    2.42027  -1.38376     2.29857  3.62489     246.069     8.24089     66.069      
1 1 1 12 21 30 o 25.5493 6.53853 5.10639      3.30361  4.93077      3.31084  21.6913     142.909     6.02643     142.909     
1 1 1 12 21 31 o 25.6719 6.48611 3.58167      3.22674  6.80706      3.4248   24.0468     29.6853     13.4764     29.6853     
1 1 1 12 21 32 o 22.5775 5.86675 2.89474      2.59652  4.60406      2.8023   16.4547     122.272     1.71548     302.272     
1 1 1 12 21 33 o 30.7989 6.02701 7.62761      2.75895  7.0076       3.20273  24.7795     17.6786     0.559536    197.679     
1 1 1 12 21 34 o 14.3866 4.72713 -0.972223    2.44375  -0.521528    2.59762  2.37061     145.396     14.2007     325.396     
1 1 1 12 21 35 o 15.2363 5.13087 -0.884809    4.75106  -0.123173    1.61367  4.65793     149.733     0.430395    149.733     
1 1 1 12 21 36 o 15.351  4.72581 0.169665     2.01503  1.41383      2.18755  7.82234     27.6764     2.39824     27.6764     
1 1 1 12 21 37 o 14.0156 4.53071 -0.238157    2.32977  0.0271558    2.05044  6.64526     249.034     4.87612     69.0341     
1 1 1 12 21 38 o 17.8784 5.16723 0.942126     2.19469  3.30472      2.41699  10.164      149.575     5.81532     329.575     
1 1 1 12 21 39 o 19.6201 5.57399 2.7896       2.58163  3.43832      2.57761  10.5658     220.279     8.50417     40.2793     
1 1 1 12 21 40 o 21.0114 5.47058 2.97306      2.34584  4.60348      2.38729  11.296      180.109     9.9163      0.109077    
1 1 1 12 21 41 o 14.0755 4.51978 -2.92037     2.51292  1.74896      2.18095  2.26208     111.23      0.261913    291.23      
1 1 1 12 21 42 o 19.9225 5.52762 2.93493      2.62783  3.9307       2.3971   9.55452     38.647      2.9866      38.647      
1 1 1 12 21 43 o 20.1695 5.509   4.00064      2.40231  3.31551      2.47726  11.9069     117.491     0.716701    117.491     
1 1 1 12 21 44 o 14.2795 4.67658 -1.3913      2.34175  2.03542      2.60156  4.30234     8.8616      7.32013     188.862     
1 1 1 12 21 45 o 16.1062 5.11566 0.414955     2.5605   3.2642       2.79309  9.21161     269.003     2.03548     269.003     
1 1 1 12 21 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 22 0  o 41.3928 4.67903 10.2945      2.75425  10.2945      2.75425  39.4316     360         4.9011      360         
1 1 1 12 22 1  o 40.8092 3.73794 8.44278      2.32522  10.8366      2.20288  23.3908     126.138     22.8983     306.138     
1 1 1 12 22 2  o 59.6358 3.25559 20.0319      2.99001  20.2265      2.94254  56.9878     147.864     10.5516     147.864     
1 1 1 12 22 3  o 112.157 2.56434 61.7822      4.05621  78.7634      4.80006  122.44      42.0207     46.3203     42.0207     
1 1 1 12 22 4  o 68.6913 2.72513 23.7686      2.80756  29.136       2.92134  60.7674     205.883     1.19384     205.883     
1 1 1 12 22 5  o 15.0269 4.29479 -0.198776    1.60372  1.2834       1.5715   8.09441     88.0961     37.0795     88.0961     
1 1 1 12 22 6  o 13.2675 3.86431 1.30905      1.4279   -1.74519     1.44986  3.30108     39.2367     19.914      39.2367     
1 1 1 12 22 7  o 60.5767 2.60938 18.8472      2.44819  22.2266      2.37584  69.9523     290.626     35.847      290.626     
1 1 1 12 22 8  o 123.753 2.14653 85.42        4.09094  83.9613      4.08995  135.871     143.833     52.5438     143.833     
1 1 1 12 22 9  o 55.6999 2.5899  16.5638      2.26362  18.1587      2.14235  61.2684     50.6421     26.9853     50.6421     
1 1 1 12 22 10 o 38.6579 3.06791 8.5127       1.83226  8.4879       1.75638  31.9542     231.363     1.18697     51.3628     
1 1 1 12 22 11 o 17.02   4.7122  0.427064     1.40392  2.09948      2.18873  1.02342     293.08      0.205616    113.08      
1 1 1 12 22 12 o 44.0853 4.18387 10.7932      2.81263  12.0861      2.70492  39.1666     153.736     3.08165     153.736     
1 1 1 12 22 13 o 25.2629 5.41493 5.25432      2.41766  2.60127      2.30722  20.1602     113.922     2.66281     113.922     
1 1 1 12 22 14 o 18.4812 5.16287 0.966617     2.1689   1.85227      2.19894  9.49201     42.8594     1.71185     42.8593     
1 1 1 12 22 15 o 42.0132 4.55378 8.72245      2.86746  12.6585      2.71693  39.7799     68.8608     7.89815     68.8608     
1 1 1 12 22 16 o 50.6523 3.81191 13.3218      2.88912  16.782       2.93163  47.0727     173.813     6.58773     173.813     
1 1 1 12 22 17 o 38.0001 5.55692 8.98692      2.69652  9.45726      3.57537  29.2172     252.211     5.68425     72.2109     
1 1 1 12 22 18 o 45.2095 5.82636 11.1501      2.82868  15.479       4.92361  33.8828     70.6251     9.51188     250.625     
1 1 1 12 22 19 o 44.6535 5.86508 15.2591      3.1141   10.7313      4.37204  35.3895     347.114     5.06613     167.114     
1 1 1 12 22 20 o 25.4811 5.86906 3.49769      2.61482  5.02191      2.71485  15.7671     273.027     7.5816      93.0268     
1 1 1 12 22 21 o 15.4839 5.00384 -0.563646    2.9132   -1.1667      2.37934  3.4709      54.8359     6.03478     234.836     
1 1 1 12 22 22 o 43.7057 5.7997  13.6734      3.78795  11.5259      3.72587  30.3179     289.375     13.4007     109.375     
1 1 1 12 22 23 o 57.8683 3.92849 21.4871      3.44072  18.5833      3.45407  50.4683     2.80801     1.46308     2.80802     
1 1 1 12 22 24 o 20.943  5.65644 3.35471      2.53737  1.54783      2.65662  7.76943     353.177     15.395      173.177     
1 1 1 12 22 25 o 47.5412 4.44374 14.1956      3.18236  14.0236      3.16479  36.4898     8.55499     8.00035     188.555     
1 1 1 12 22 26 o 22.9356 5.77252 2.75436      2.60021  4.32857      2.6019   9.10406     145.198     17.5167     325.198     
1 1 1 12 22 27 o 48.3466 4.32321 12.7693      3.10752  16.8603      3.11167  45.9452     230.068     9.90166     230.068     
1 1 1 12 22 28 o 33.2005 6.19443 6.38265      4.14722  10.1821      2.84109  27.7176     64.7121     1.23448     64.7121     
1 1 1 12 22 29 o 22.63   6.5875  2.93207      4.74425  4.03822      3.04639  15.3749     331.717     3.51652     151.717     
1 1 1 12 22 30 o 30.1031 6.63257 8.45805      3.82989  6.53699      2.98621  25.3905     79.763      2.59128     79.763      
1 1 1 12 22 31 o 14.2156 4.69439 -1.19308     2.54252  -0.841819    2.53572  4.57103     162.495     2.29832     342.495     
1 1 1 12 22 32 o 20.7555 5.96752 3.16908      3.041    2.99881      2.93735  11.3452     72.008      7.73459     252.008     
1 1 1 12 22 33 o 36.4824 5.96238 9.5973       3.41168  11.1735      3.17535  32.7464     90.1065     5.51984     90.1065     
1 1 1 12 22 34 o 29.0665 5.45749 2.78704      2.9847   10.6454      2.87761  30.4835     162.566     15.5299     162.566     
1 1 1 12 22 35 o 15.7012 5.00471 0.749091     2.54113  0.401403     2.57375  8.31109     312.376     2.75149     312.376     
1 1 1 12 22 36 o 17.2923 5.37003 2.16317      2.75696  1.00474      2.77868  11.2217     309.703     2.74099     309.703     
1 1 1 12 22 37 o 20.7044 5.74112 4.61279      2.7081   2.63045      2.74352  16.5377     353.811     5.72275     353.811     
1 1 1 12 22 38 o 18.4431 5.80783 2.58683      3.31279  2.4672       3.34838  7.26364     343.87      13.0077     163.87      
1 1 1 12 22 39 o 12.574  4.3191  -0.893575    2.37013  -4.66413     3.15813  1.82217     320.456     1.19867     140.456     
1 1 1 12 22 40 o 27.1648 6.6151  6.08521      2.43016  10.2029      4.52474  22.7177     280.194     6.71404     280.194     
1 1 1 12 22 41 o 17.8802 5.18968 3.54208      2.21774  0.760677     2.77589  6.02533     221.162     0.118566    41.1616     
1 1 1 12 22 42 o 17.3882 5.13328 -1.58954     2.47834  5.20937      2.72618  8.21336     31.913      5.01691     211.913     
1 1 1 12 22 43 o 14.5457 4.70568 1.78054      2.27005  -0.508759    2.65062  5.24461     54.9778     0.000534162 55.0331     
1 1 1 12 22 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 23 0  o 33.6532 4.51996 6.98431      2.09668  6.98431      2.09668  28.1645     180         3.19596     360         
1 1 1 12 23 1  o 27.9433 4.43263 3.73427      1.90261  5.75787      1.84472  9.94028     143.475     26.3628     323.475     
1 1 1 12 23 2  o 85.756  2.7585  42.8568      3.64885  39.7271      3.61459  73.8348     229.648     2.70551     49.6484     
1 1 1 12 23 3  o 92.5274 2.76257 45.3256      3.69765  50.868       4.16001  100.762     292.848     39.5004     292.848     
1 1 1 12 23 4  o 9.50266 3.20928 -1.15371     1.32883  -2.34428     1.32631  1.21102     131.06      5.24418     131.06      
1 1 1 12 23 5  o 64.9099 2.75821 24.2293      2.79593  23.1793      2.69282  58.6221     351.657     4.23413     351.657     
1 1 1 12 23 6  o 36.9923 3.65342 7.51379      2.0437   8.43866      1.994    38.3873     311.177     15.7496     311.177     
1 1 1 12 23 7  o 14.5014 4.09074 1.39287      1.45854  -0.230403    1.4109   3.84332     295.796     9.3099      115.796     
1 1 1 12 23 8  o 19.071  4.43389 2.39456      1.53026  1.80369      1.49577  12.7621     228.456     1.82389     228.456     
1 1 1 12 23 9  f 56.7354 3.17341 19.2445      2.98123  17.5358      2.51397  55.5729     177.51      0           0           
1 1 1 12 23 10 o 41.4933 4.43419 8.38325      2.7718   12.4716      2.57091  41.0698     333.842     12.3227     333.842     
1 1 1 12 23 11 o 83.1551 3.27304 39.7574      4.17826  39.4566      4.17088  93.5187     199.688     42.2287     199.688     
1 1 1 12 23 12 o 30.2688 5.68947 7.2996       2.47161  4.45224      3.15866  30.6492     4.88549     18.6524     4.88549     
1 1 1 12 23 13 o 36.3122 5.13836 5.44457      2.58685  11.6419      2.99761  26.8573     292.924     6.82544     112.924     
1 1 1 12 23 14 f 79.4196 3.32192 35.0617      3.73931  37.6906      4.34205  48.3255     186.88      0           0           
1 1 1 12 23 15 o 60.0913 3.98463 22.5838      3.78667  20.3321      3.50342  51.3132     329.215     0.826282    149.215     
1 1 1 12 23 16 o 34.5766 5.30047 9.70248      2.68383  5.84282      2.84049  26.78       203.866     2.89624     23.8659     
1 1 1 12 23 17 f 29.0279 5.75638 4.66155      2.67529  6.60998      2.7343   20.974      13.9209     0           0           
1 1 1 12 23 18 o 15.2378 4.87295 -0.802872    2.41756  -0.441563    2.47562  2.27406     265.708     2.95593     85.7082     
1 1 1 12 23 19 o 23.7403 5.95843 4.51816      2.75674  2.59413      2.81633  15.4915     273.053     2.21212     93.0526     
1 1 1 12 23 20 o 66.3717 4.54515 26.0336      5.12981  28.1564      3.78153  63.8424     354.062     13.9953     354.062     
1 1 1 12 23 21 o 46.1238 5.78477 13.7404      3.91859  14.8271      3.99691  46.1811     257.713     15.9238     257.713     
1 1 1 12 23 22 o 28.59   6.15023 7.49842      2.82575  3.89337      3.56148  17.04       162.395     11.3782     342.395     
1 1 1 12 23 23 o 23.654  5.7018  1.62318      2.61309  5.81063      2.74587  5.38018     267.931     26.8723     87.9308     
1 1 1 12 23 24 o 27.8581 6.52245 4.9725       2.81756  7.10691      3.69926  18.4476     205.266     7.01292     25.2663     
1 1 1 12 23 25 o 31.2027 6.50915 7.13419      2.93502  8.07575      3.7807   23.4044     295.228     3.49273     115.228     
1 1 1 12 23 26 o 25.6477 6.05154 1.44516      2.60005  8.85018      3.55042  17.0029     228.685     6.59283     48.6851     
1 1 1 12 23 27 o 29.0667 6.85301 8.98827      3.50103  5.12618      4.31649  21.9129     4.97179     2.6062      184.972     
1 1 1 12 23 28 o 18.9122 5.67753 3.48105      3.06286  -0.285445    2.92708  12.1687     313.558     0.133384    313.558     
1 1 1 12 23 29 o 32.2415 5.93945 5.82325      3.21363  10.4117      3.0341   23.6356     19.3656     4.98444     199.366     
1 1 1 12 23 30 o 21.2792 5.77303 0.564369     2.71129  5.78236      3.03955  15.9354     238.903     6.08234     238.903     
1 1 1 12 23 31 o 20.1304 5.63278 4.86796      2.79022  0.154608     2.91886  12.8939     29.815      3.78636     209.815     
1 1 1 12 23 32 o 17.8592 5.42961 1.8066       2.64174  1.82989      2.74382  9.10924     282.597     8.5415      102.597     
1 1 1 12 23 33 o 32.9441 5.85162 9.30467      2.96615  8.30205      2.97204  26.3423     97.1046     1.12937     277.105     
1 1 1 12 23 34 o 23.9229 5.56414 7.76459      2.77171  1.4982       2.79187  15.8946     99.1173     5.58893     279.117     
1 1 1 12 23 35 o 14.4261 4.7072  -4.26949     2.62426  2.0376       2.63861  5.52298     164.075     0.0373665   164.076     
1 1 1 12 23 36 o 15.8549 4.98015 -1.78159     2.54385  2.96989      2.64113  8.56487     162.295     2.02488     342.295     
1 1 1 12 23 37 o 17.9804 5.56362 4.49113      3.25876  0.0370818    2.72368  6.91735     180.364     3.00623     180.364     
1 1 1 12 23 38 o 17.1093 5.50643 3.14769      3.22353  -0.439845    3.34511  4.63751     190.186     0.208263    190.186     
1 1 1 12 23 39 o 13.7518 4.63221 -4.07623     3.16351  0.66744      2.59842  1.35177     114.901     4.50766     294.901     
1 1 1 12 23 40 o 14.2277 4.73264 -0.519641    2.67094  0.442969     2.66154  1.40162     268.749     0.905568    88.7492     
1 1 1 12 23 41 f 16.2863 5.14553 0.337055     2.63754  3.41778      2.75816  8.5039      94.1258     0           0           
1 1 1 12 23 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 24 0  o 16.3472 6.03867 2.3319       1.99067  2.3319       1.99067  4.92223     360         15.7263     180         
1 1 1 12 24 1  o 21.7633 4.79068 2.80087      1.83217  3.00825      1.72647  15.1779     115.726     5.08833     115.726     
1 1 1 12 24 2  o 13.2591 4.17136 -0.0282352   1.76208  -0.722242    1.67444  1.18157     263.901     18.3098     263.901     
1 1 1 12 24 3  o 51.2575 3.17099 14.1429      2.38742  16.0973      2.56848  50.4765     227.409     13.9699     227.409     
1 1 1 12 24 4  o 37.2616 3.56922 6.91775      1.97086  9.46617      1.96941  23.4221     165.266     15.7187     345.266     
1 1 1 12 24 5  o 14.5258 4.17735 0.738195     1.47322  0.607783     1.45782  2.74923     241.689     3.87703     61.689      
1 1 1 12 24 6  o 39.5542 3.30939 9.04155      2.04249  9.13808      1.90628  37.1935     5.26682     8.96456     5.26682     
1 1 1 12 24 7  o 9.02541 3.01862 -0.87307     1.13452  -1.53822     1.09012  2.17802     322.655     7.49548     322.655     
1 1 1 12 24 8  o 42.8076 3.68029 8.63172      2.2719   13.1947      2.40265  37.1104     260.593     2.66391     260.593     
1 1 1 12 24 9  o 65.9075 3.4652  27.6827      3.5552   22.9836      3.41451  56.499      344.41      0.163334    164.411     
1 1 1 12 24 10 o 22.2057 5.75517 4.42136      2.45778  -0.321672    3.53527  9.83201     307.832     4.21105     307.832     
1 1 1 12 24 11 f 43.8607 4.90316 8.04606      3.03726  16.6102      3.09303  31.2501     38.595      0           0           
1 1 1 12 24 12 o 31.0356 5.71009 7.24123      2.7554   5.59857      2.78933  26.9129     274.658     6.27999     274.658     
1 1 1 12 24 13 o 49.3873 4.35477 14.7408      3.23665  14.9585      3.24338  51.8829     341.385     21.6547     341.385     
1 1 1 12 24 14 o 33.417  5.46699 9.73527      2.86064  5.13884      2.77523  32.6231     36.4252     14.517      36.4252     
1 1 1 12 24 15 o 16.1621 4.91543 1.76445      2.35949  -1.99161     2.36104  1.24674     27.6787     18.2803     207.679     
1 1 1 12 24 16 o 17.0027 5.13923 -0.360409    2.39854  1.50617      2.45478  4.0399      119.367     13.2103     299.367     
1 1 1 12 24 17 o 18.0032 5.28594 1.82032      2.41574  0.583729     2.45139  7.01431     337.459     7.73126     157.459     
1 1 1 12 24 18 o 29.5787 6.06146 4.74415      2.95233  7.74265      3.02477  22.5102     42.2271     0.89559     222.227     
1 1 1 12 24 19 o 81.4742 3.46148 36.1188      4.27923  42.9192      4.34281  76.7256     36.1492     13.8642     36.1492     
1 1 1 12 24 20 o 25.6412 6.39468 4.17807      3.65666  5.4236       2.83705  20.4061     301.6       4.15934     301.6       
1 1 1 12 24 21 o 29.6734 6.14945 8.89328      2.94448  3.99437      3.77577  18.4597     18.5167     10.738      198.517     
1 1 1 12 24 22 o 46.4991 4.81855 12.5814      3.29804  16.0539      3.34925  41.3423     251.974     4.74156     251.974     
1 1 1 12 24 23 o 18.9036 5.42121 3.15896      2.5827   0.669416     2.47917  12.3357     144.496     1.04577     324.496     
1 1 1 12 24 24 o 25.5286 6.12271 7.85712      3.37488  2.49749      2.66007  21.0861     281.817     3.36495     281.817     
1 1 1 12 24 25 o 19.9256 5.6891  4.17604      2.9601   0.657853     2.6181   13.0013     65.1916     1.43808     245.192     
1 1 1 12 24 26 o 18.0949 5.57113 0.0517908    3.05855  2.40768      2.89495  9.34392     119.578     5.03344     299.578     
1 1 1 12 24 27 o 24.2501 5.98003 4.56341      2.78776  4.89771      2.70571  15.1037     175.778     6.83163     355.778     
1 1 1 12 24 28 o 27.9814 5.48614 9.96394      2.92037  2.25643      2.82264  16.0951     127.23      12.8751     307.23      
1 1 1 12 24 29 o 21.2379 5.8896  -0.256792    3.58327  5.86658      2.99042  17.3127     201.683     4.81733     201.683     
1 1 1 12 24 30 o 26.1625 6.26399 5.43013      2.95582  6.79143      3.07438  20.2875     59.3483     0.388112    239.348     
1 1 1 12 24 31 o 61.8058 4.21812 24.0157      3.91596  27.689       3.99629  66.1861     297.866     28.8346     297.866     
1 1 1 12 24 32 o 14.3499 4.74502 -3.54663     2.4317   1.80257      2.86885  6.26199     58.5735     2.95481     238.574     
1 1 1 12 24 33 o 16.594  5.23958 1.72554      2.62798  0.777238     2.87596  8.77415     332.07      2.1236      332.07      
1 1 1 12 24 34 o 17.4636 5.62543 0.791589     2.81764  3.0657       3.76897  7.64127     208.431     9.46651     28.4306     
1 1 1 12 24 35 o 17.8778 5.58983 3.64403      2.88747  -0.423229    3.76059  10.0207     230.606     1.72613     50.6064     
1 1 1 12 24 36 o 13.7924 4.74334 -0.378855    3.20371  -4.17467     3.27807  1.79382     45.1542     3.05303     225.154     
1 1 1 12 24 37 o 17.0844 5.46468 1.51894      2.70795  2.21206      3.44541  5.16204     75.7867     9.18309     255.787     
1 1 1 12 24 38 o 14.7122 4.92815 0.529595     2.65168  -0.716324    3.41645  1.68563     304.484     0.786579    124.484     
1 1 1 12 24 39 o 21.1209 5.864   6.58554      2.90956  3.24577      2.94508  14.6696     8.11987     0.32602     8.11979     
1 1 1 12 24 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 25 0  o 9.88575 4.51671 0.114975     1.60735  0.114975     1.60735  2.06848     180         8.18055     180         
1 1 1 12 25 1  o 19.4725 4.72563 2.54866      1.74848  1.95273      1.68176  9.00356     38.5872     6.86403     218.587     
1 1 1 12 25 2  o 41.31   3.70508 11.8157      2.47052  8.57236      2.13158  28.0281     261.466     12.6598     81.4661     
1 1 1 12 25 3  o 16.46   4.63471 1.40954      1.68559  0.791199     1.87     4.65762     97.1137     4.47946     277.114     
1 1 1 12 25 4  o 39.5842 3.77294 6.83302      2.08121  12.1912      2.28858  40.3969     185.317     17.3574     185.317     
1 1 1 12 25 5  o 15.7725 4.39926 0.672956     1.50917  1.43384      1.65467  3.55189     317.643     9.07197     137.643     
1 1 1 12 25 6  o 12.3012 3.8014  -0.333558    1.32965  0.169279     1.4055   1.17423     164.171     12.1046     164.171     
1 1 1 12 25 7  o 20.674  4.30058 2.11209      1.50443  3.15762      1.4613   6.70018     103.549     16.9346     283.549     
1 1 1 12 25 8  o 29.3115 5.3141  3.75336      2.496    7.64891      2.51688  18.7014     345.262     8.4597      165.262     
1 1 1 12 25 9  o 16.2824 4.9352  0.145893     2.22005  0.870591     2.21892  3.75552     97.3116     3.06667     277.312     
1 1 1 12 25 10 o 51.613  4.11534 18.5085      3.36059  14.0184      3.04932  49.6484     95.5653     13.2929     95.5653     
1 1 1 12 25 11 o 40.7531 5.08    10.4961      3.28247  10.9587      2.83005  40.7101     255.295     15.8981     255.295     
1 1 1 12 25 12 o 41.4385 4.96123 10.7948      3.05256  11.3398      3.05193  36.2154     168.805     4.58559     168.805     
1 1 1 12 25 13 o 38.1399 5.318   9.86146      3.01499  9.49506      3.00945  32.8074     56.2707     3.84598     56.2707     
1 1 1 12 25 14 o 16.1568 4.91634 1.92675      2.35946  -1.72551     2.35114  2.79281     239.662     0.636809    59.6616     
1 1 1 12 25 15 o 17.741  5.30243 0.910937     2.49441  1.46138      2.49696  7.24267     34.4467     0.232215    214.447     
1 1 1 12 25 16 o 19.8004 5.85056 1.68906      3.46748  2.19385      2.57069  10.6952     315.447     5.10075     135.447     
1 1 1 12 25 17 o 22.0725 5.94006 2.41686      2.84178  4.16262      2.82979  15.952      124.456     2.18395     124.456     
1 1 1 12 25 18 o 19.5005 5.68587 2.50175      2.71622  1.67106      2.83587  12.578      358.211     0.157456    358.211     
1 1 1 12 25 19 o 16.197  5.17232 -1.40803     3.31418  0.861631     2.39024  1.76914     78.3975     0.560266    78.3975     
1 1 1 12 25 20 o 23.6241 6.27644 0.817544     3.71796  6.64671      3.29226  15.5132     233.387     10.592      233.387     
1 1 1 12 25 21 o 25.5123 5.87121 7.61753      2.88448  1.58437      3.33303  21.5641     279.653     5.14904     279.653     
1 1 1 12 25 22 o 58.4169 3.82667 21.3765      3.42414  21.4465      3.38185  57.5645     148.389     17.3114     148.389     
1 1 1 12 25 23 o 24.8867 5.97677 4.98851      2.72897  4.82919      2.73977  16.2604     205.562     5.1791      25.5623     
1 1 1 12 25 24 o 38.1984 6.37273 11.4635      3.81876  11.9987      3.56452  37.7313     95.2008     14.6502     95.2008     
1 1 1 12 25 25 o 24.5951 6.27336 7.51875      3.34021  2.73397      3.12175  22.0064     145.629     11.4978     145.629     
1 1 1 12 25 26 o 14.9395 4.7881  1.76512      2.51633  -2.73747     2.53446  4.20151     163.521     1.33046     163.521     
1 1 1 12 25 27 o 19.5409 5.59824 4.43617      2.76533  0.654227     2.8199   10.6985     195.526     7.96141     15.5261     
1 1 1 12 25 28 o 17.5769 5.45031 0.847809     2.80948  2.45768      2.8824   10.9711     182.197     4.04904     182.197     
1 1 1 12 25 29 o 20.6427 5.99308 3.13126      3.01691  4.2412       3.10317  13.207      35.315      3.47549     215.315     
1 1 1 12 25 30 o 17.2823 5.36081 1.8178       2.64014  1.64762      2.83944  7.36493     325         9.73873     145         
1 1 1 12 25 31 o 25.9677 5.80478 9.2526       2.9751   2.87037      3.02468  17.0689     79.1108     6.19722     259.111     
1 1 1 12 25 32 o 22.9258 6.0548  4.33286      2.86656  5.83179      2.92466  18.8407     2.31706     10.9905     2.31706     
1 1 1 12 25 33 o 14.5964 4.85135 -0.592992    2.80617  0.195258     2.77449  3.2682      303.524     10.6036     123.524     
1 1 1 12 25 34 o 15.9444 5.14416 0.938467     2.72636  1.0481       2.87587  4.12733     175.168     3.48134     355.168     
1 1 1 12 25 35 o 14.2909 4.77766 -2.89058     3.28273  0.873384     2.58922  1.98743     108.363     3.52924     288.363     
1 1 1 12 25 36 o 15.6461 5.23084 1.85085      3.30202  -0.581112    3.42386  0.842314    160.883     0.0584721   340.883     
1 1 1 12 25 37 o 15.6106 5.03119 2.79585      2.72144  -0.163203    2.7628   6.33976     157.017     6.97405     337.017     
1 1 1 12 25 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 26 0  o 31.9185 5.29613 6.79977      2.26185  6.79977      2.26185  34.4057     180         14.6592     180         
1 1 1 12 26 1  o 18.1782 4.65272 2.96781      1.84619  0.723137     1.65813  6.40385     189.183     11.5122     9.18253     
1 1 1 12 26 2  o 37.8097 3.98331 8.91886      2.38596  8.65797      2.10195  34.043      142.347     7.24162     142.347     
1 1 1 12 26 3  f 19.8353 4.78848 3.35737      1.73609  1.22996      2.01883  21.1777     73.8293     0           0           
1 1 1 12 26 4  o 48.3869 3.22951 12.9978      2.40329  14.6456      2.33765  45.5147     220.634     11.0546     220.634     
1 1 1 12 26 5  f 21.1745 4.53926 1.79988      1.6948   3.90054      1.6758   18.7713     282.751     0           0           
1 1 1 12 26 6  o 31.36   4.30225 8.84457      1.90647  3.94095      2.05905  30.4774     91.2953     13.5756     91.2953     
1 1 1 12 26 7  o 69.2951 3.11709 27.2605      3.18541  29.1471      3.433    62.0709     58.5304     7.38441     58.5304     
1 1 1 12 26 8  o 19.8333 5.46969 2.22639      2.3924   2.44156      2.42935  6.81519     240.63      15.079      60.6299     
1 1 1 12 26 9  o 23.2405 5.64381 4.97406      2.52086  2.42387      2.54533  17.4651     82.9911     3.78808     82.9911     
1 1 1 12 26 10 o 67.3185 3.47967 27.8419      3.65102  26.6607      3.51377  62.233      258.807     11.236      258.807     
1 1 1 12 26 11 o 29.1851 5.94062 5.15635      2.67452  7.49043      2.99543  26.3516     230.06      8.81461     230.06      
1 1 1 12 26 12 o 14.2434 4.64092 -0.307546    2.26507  -1.3547      2.48311  4.3978      289.802     5.40362     109.802     
1 1 1 12 26 13 o 23.4976 5.69356 5.32034      2.55844  2.53088      2.64106  15.9338     51.8708     3.41013     231.871     
1 1 1 12 26 14 o 76.3858 3.27979 35.8584      3.83859  34.2232      3.83876  75.2178     111.157     21.6824     111.157     
1 1 1 12 26 15 o 19.0568 5.34676 0.457365     2.42411  3.52762      2.49076  0.545071    178.928     30.8616     178.928     
1 1 1 12 26 16 o 24.412  5.72378 5.70143      2.59412  3.16033      2.59145  20.1279     98.253      4.56681     98.253      
1 1 1 12 26 17 o 25.171  6.23999 5.18917      3.10261  4.93143      2.87705  21.6434     90.3994     7.9586      90.3994     
1 1 1 12 26 18 o 20.9164 5.57352 4.46882      2.57029  1.42681      2.57793  14.634      3.77453     5.6015      3.77453     
1 1 1 12 26 19 o 15.7625 5.08847 -1.01508     3.16549  0.563022     2.44376  3.04817     84.1773     0.0599075   264.177     
1 1 1 12 26 20 o 16.8641 5.32747 1.37117      2.53286  -0.209499    3.26516  7.84139     140.186     4.57495     320.186     
1 1 1 12 26 21 o 24.2682 5.74839 6.9265       2.80711  2.32452      2.68618  20.8214     184.65      12.7275     184.65      
1 1 1 12 26 22 o 18.9307 5.43282 -3.28511     3.02981  5.28588      2.96161  12.4055     18.6785     1.2429      198.679     
1 1 1 12 26 23 o 15.5487 5.09228 0.00538807   2.91816  -0.226942    2.86483  9.07647     236.367     0.402897    56.3666     
1 1 1 12 26 24 o 17.5177 5.24536 3.56495      2.66378  -0.76704     2.57465  11.9807     93.8519     2.46952     93.8519     
1 1 1 12 26 25 o 15.7724 5.05333 1.18415      2.61162  -0.154235    2.72483  8.52673     251.608     0.793069    251.608     
1 1 1 12 26 26 o 22.0113 5.79581 0.600279     2.89273  7.24874      3.09486  16.2146     335.396     0.758459    335.396     
1 1 1 12 26 27 o 18.6885 5.56269 4.27552      2.90708  0.505177     2.78949  12.2473     204.482     4.12016     204.482     
1 1 1 12 26 28 o 17.2785 5.39173 1.99142      2.78476  1.64459      2.83207  10.2286     57.6891     0.275681    237.689     
1 1 1 12 26 29 o 19.608  5.76192 3.52673      2.78229  3.20186      2.9678   13.2552     208.441     0.381871    208.441     
1 1 1 12 26 30 o 18.083  5.47963 0.459317     2.76033  4.16434      2.90492  9.9132      73.3029     0.144342    253.303     
1 1 1 12 26 31 o 19.2563 5.74403 3.39666      2.73104  3.05492      3.14549  9.77286     228.227     1.7262      48.2271     
1 1 1 12 26 32 o 17.4115 5.4148  1.46679      2.79935  2.77037      2.84375  5.14072     184.7       1.98219     4.69949     
1 1 1 12 26 33 o 14.8971 4.93108 1.23623      2.82     -0.966299    2.90813  3.59987     218.601     4.51238     38.6007     
1 1 1 12 26 34 o 12.3228 4.29964 -2.8963      3.24228  -2.29305     2.63404  1.54721     28.0171     3.29344     208.017     
1 1 1 12 26 35 f 30.4449 7.31086 13.0875      4.13278  11.8116      4.06387  27.6407     218.551     0           0           
1 1 1 12 26 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 27 0  o 7.91043 3.84028 -0.825221    1.51306  -0.825221    1.51306  2.33        180         9.16768     180         
1 1 1 12 27 1  o 17.4846 4.44686 -0.254567    1.74206  3.26507      1.74328  10.1593     187.434     2.22805     7.43402     
1 1 1 12 27 2  o 45.5477 3.71641 14.3534      2.82635  11.4021      2.29861  46.1889     242.127     17.8473     242.127     
1 1 1 12 27 3  o 30.6235 4.68928 6.3347       1.99968  6.23274      2.2934   25.6974     237.115     3.00887     237.115     
1 1 1 12 27 4  o 16.0302 4.45586 1.53785      1.63055  1.1304       1.59599  0.233628    78.5407     0.0852516   78.5407     
1 1 1 12 27 5  o 26.0302 5.25185 5.27017      1.96368  4.31073      2.57743  22.7576     247.689     6.47854     247.689     
1 1 1 12 27 6  o 53.8898 4.32392 22.2794      3.27647  15.2006      3.5229   64.0653     292.542     39.9539     292.542     
1 1 1 12 27 7  o 16.863  5.28539 0.916809     2.29244  0.239467     3.22198  9.30816     257.615     0.454526    77.6154     
1 1 1 12 27 8  o 21.2902 5.42223 4.89913      2.47337  0.981508     2.48546  12.0664     199.175     7.52614     199.175     
1 1 1 12 27 9  o 43.5915 4.75396 13.5673      3.07853  11.8435      3.08265  49.1137     330.107     28.4102     330.107     
1 1 1 12 27 10 f 17.1816 5.01078 -1.47088     2.35951  3.13799      2.39256  8.02142     119.689     0           0           
1 1 1 12 27 11 o 33.6417 5.57033 9.01769      2.89215  7.51514      2.78674  21.1298     58.2079     11.7805     238.208     
1 1 1 12 27 12 f 23.8397 5.89393 4.49658      2.69825  4.27346      2.63263  18.8801     148.241     0           0           
1 1 1 12 27 13 o 26.8962 5.90356 6.70786      2.78113  4.6386       2.69529  23.6603     89.3837     9.08425     89.3837     
1 1 1 12 27 14 o 40.8543 5.18903 12.8078      3.12741  10.8093      3.14609  40.6405     206.094     16.3536     206.094     
1 1 1 12 27 15 o 15.9827 4.93294 -1.85441     2.46549  2.33879      2.45243  4.881       141.477     0.320788    141.476     
1 1 1 12 27 16 o 30.6482 6.86087 12.3         4.29599  5.24606      3.1705   29.6515     101.506     14.3768     101.506     
1 1 1 12 27 17 o 31.4325 5.57202 13.5906      3.28408  1.95964      3.647    22.3223     260.459     5.27539     80.4593     
1 1 1 12 27 18 o 20.3197 6.0666  4.83231      3.57262  1.40763      2.99639  5.83132     250.484     19.35       70.4843     
1 1 1 12 27 19 f 17.8801 5.90728 2.01419      3.92885  -1.24489     4.29028  6.75195     217.224     0           0           
1 1 1 12 27 20 o 20.8854 5.81521 3.38921      2.78353  3.72963      2.717    12.5121     241.949     5.94357     61.9486     
1 1 1 12 27 21 o 47.4256 5.61314 17.3684      4.07513  17.3888      3.82357  51.5368     350.975     26.7445     350.975     
1 1 1 12 27 22 o 17.3676 5.51447 2.29715      3.10574  0.537166     3.07716  7.88923     167.753     8.26699     347.753     
1 1 1 12 27 23 o 20.2203 5.74319 2.5416       2.78673  4.25119      2.75892  11.5031     173.43      6.03324     353.43      
1 1 1 12 27 24 o 17.5113 5.4237  2.20101      2.71425  1.57187      2.89182  9.39884     218.736     4.28619     38.7358     
1 1 1 12 27 25 o 17.2312 5.36965 -0.333408    2.80547  3.51327      2.94416  9.89134     345.232     1.69368     345.232     
1 1 1 12 27 26 o 25.8847 6.12529 9.562        3.25028  3.4474       3.13759  16.0296     297.118     7.39649     117.118     
1 1 1 12 27 27 o 15.7956 5.1763  1.2111       2.73344  -0.189683    3.37531  5.92897     219.032     2.65149     39.0317     
1 1 1 12 27 28 o 13.1322 4.43747 0.212361     2.49085  -3.65264     2.74834  1.03714     328.374     8.31311     148.374     
1 1 1 12 27 29 o 16.3992 5.22938 0.0944967    2.70937  2.58027      2.92588  3.18001     111.024     2.20272     291.024     
1 1 1 12 27 30 o 17.3905 5.46439 2.03343      2.83254  2.44437      3.02826  5.95753     220.476     8.59949     40.4759     
1 1 1 12 27 31 o 14.4321 4.80507 0.583105     2.70148  -0.125587    2.82094  3.75436     47.0705     3.07201     227.07      
1 1 1 12 27 32 o 20.4756 6.01967 5.32106      3.08413  4.70567      3.20244  13.17       176.898     1.19422     356.898     
1 1 1 12 27 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 27 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 28 0  o 55.2236 3.10942 17.741       2.60447  17.741       2.60447  58.8924     2.18924e-09 25.5601     2.18924e-09 
1 1 1 12 28 1  o 17.5192 4.59559 3.14454      1.80842  0.2494       1.7918   9.02225     6.86938     0.847225    186.869     
1 1 1 12 28 2  o 30.8582 4.78534 4.29712      2.45344  9.11064      2.11287  25.2781     34.38       3.04937     34.38       
1 1 1 12 28 3  o 18.9688 4.92567 2.79469      1.7961   1.94181      2.04616  7.93221     321.113     10.5588     141.113     
1 1 1 12 28 4  o 16.1809 4.5199  1.27384      1.67774  1.61922      1.6572   5.70444     92.5352     8.88042     272.535     
1 1 1 12 28 5  o 40.0413 4.00055 9.84492      2.35241  10.8573      2.44249  40.7599     52.4332     18.2723     52.4332     
1 1 1 12 28 6  o 16.2238 4.96209 0.139879     2.27878  1.67812      2.3257   6.95897     308.988     4.2532      128.988     
1 1 1 12 28 7  o 19.3435 5.39243 0.941429     2.4334   3.82904      2.50539  11.7076     51.9262     1.53155     231.926     
1 1 1 12 28 8  o 15.9643 4.95542 1.52449      2.33419  -0.24413     2.43909  2.60844     157.842     0.548126    157.842     
1 1 1 12 28 9  o 50.3315 4.59938 19.4293      3.65535  15.1066      3.29662  54.8014     145.02      28.5154     145.02      
1 1 1 12 28 10 o 22.755  5.85774 3.62955      2.61496  4.72553      2.72345  15.665      178.681     1.76639     358.681     
1 1 1 12 28 11 o 16.0471 5.02488 -0.105055    2.42947  1.5628       2.52969  8.42834     117.373     0.744133    117.373     
1 1 1 12 28 12 o 18.0274 5.55488 1.96427      3.24695  1.62423      2.55066  11.4363     212.346     0.768915    32.3464     
1 1 1 12 28 13 o 22.8019 6.20017 5.91519      3.35056  3.26088      2.81086  19.457      348.785     7.17901     348.785     
1 1 1 12 28 14 o 16.8688 5.2535  -1.68485     2.64554  3.28467      2.938    8.48091     98.3384     6.37852     278.338     
1 1 1 12 28 15 o 42.5212 5.4111  9.39654      3.30187  18.3725      3.37456  36.7907     352.401     5.1248      352.401     
1 1 1 12 28 16 o 32.1475 6.32344 9.76709      3.22737  8.32895      3.29907  27.4228     137.878     4.9936      137.878     
1 1 1 12 28 17 o 35.4153 6.24608 8.73398      3.3639   13.0296      3.53499  33.6924     96.2208     12.4252     96.2208     
1 1 1 12 28 18 o 18.4158 5.88182 -0.31799     3.71535  3.85141      3.62153  9.21444     271.763     3.84169     271.763     
1 1 1 12 28 19 o 20.0622 5.97003 6.06675      3.26749  -4.45281     5.06217  13.3949     131.819     0.225383    131.819     
1 1 1 12 28 20 o 13.6534 4.65252 -1.91704     2.9418   -1.44591     2.88071  4.22219     109.235     6.9235      289.235     
1 1 1 12 28 21 o 14.9541 4.91311 0.00121047   2.65346  0.288458     2.79251  5.94478     54.4289     6.02901     234.429     
1 1 1 12 28 22 o 15.0977 4.93449 1.67382      2.75566  -1.62275     2.77562  5.75217     27.6784     7.21811     207.678     
1 1 1 12 28 23 o 14.582  4.82242 1.08246      2.6998   -1.79084     2.80921  3.55808     303.145     1.19278     123.145     
1 1 1 12 28 24 o 13.4188 4.54164 -0.706552    2.62861  -1.70616     2.72271  1.3754      349.332     2.57535     169.332     
1 1 1 12 28 25 o 14.7464 5.11157 -1.04937     2.53305  -2.00956     5.25815  1.06875     258.475     19.621      258.475     
1 1 1 12 28 26 o 16.3994 5.30722 1.6403       2.70909  0.775738     3.41559  4.17368     351.734     8.0879      171.734     
1 1 1 12 28 27 o 13.0778 4.45383 -0.29925     2.53428  -2.89262     2.90355  1.30635     182.145     6.44847     2.14475     
1 1 1 12 28 28 o 12.6839 4.35808 -3.24452     2.55403  0.0252859    2.78549  1.81232     178.602     4.45042     358.602     
1 1 1 12 28 29 o 27.1992 6.46807 5.92941      3.14714  11.7257      3.57604  19.3421     72.325      1.60914     252.325     
1 1 1 12 28 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 28 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 29 0  o 6.98413 3.49303 -1.59467     1.53684  -1.59467     1.53684  2.67529     180         10.4944     180         
1 1 1 12 29 1  o 11.8944 3.88736 -1.1843      1.68853  -0.113649    1.68238  3.28478     184.225     1.92026     4.22457     
1 1 1 12 29 2  o 15.5695 4.65641 1.91187      2.12642  0.411262     1.72731  8.49349     260.905     2.48006     80.9053     
1 1 1 12 29 3  o 32.1444 5.02913 10.1041      2.50634  5.39002      2.44004  24.6107     224.052     1.37596     44.0523     
1 1 1 12 29 4  o 14.9912 4.52155 -0.288753    2.22059  1.56069      1.6837   7.44716     311.029     3.68965     131.029     
1 1 1 12 29 5  o 24.4905 5.79528 3.95632      2.6223   6.12051      2.63778  18.1676     212.663     0.132362    32.6623     
1 1 1 12 29 6  o 22.2409 5.73333 3.04722      2.59571  5.15317      2.62125  16.4145     73.3358     0.908004    73.3358     
1 1 1 12 29 7  o 19.2793 5.43609 4.04336      2.5258   1.19752      2.56086  12.079      300.147     2.59763     120.147     
1 1 1 12 29 8  o 14.219  4.64929 -0.674712    2.40634  0.11074      2.39657  5.54201     113.62      5.85225     293.62      
1 1 1 12 29 9  o 16.6809 5.15993 1.44382      2.50077  1.29295      2.53901  9.29279     46.1467     1.75815     226.147     
1 1 1 12 29 10 o 23.9162 5.81239 3.02874      2.75918  6.81056      2.76411  16.4415     139.993     2.36231     319.993     
1 1 1 12 29 11 o 24.9928 6.07108 5.03512      2.7881   6.2935       2.88175  19.3246     160.847     2.35743     160.847     
1 1 1 12 29 12 f 16.3399 5.12625 0.201985     2.53882  2.05612      2.64938  13.7915     138.434     0           0           
1 1 1 12 29 13 o 36.9426 5.69916 11.5648      3.09745  10.4293      3.20781  31.3708     107.748     4.9815      107.748     
1 1 1 12 29 14 o 20.9021 5.61839 0.813491     2.73862  6.11082      2.825    12.4386     211.615     4.81877     31.6148     
1 1 1 12 29 15 o 17.7894 5.47655 1.1243       2.78287  3.07475      2.88996  9.29871     231.373     4.69719     51.3727     
1 1 1 12 29 16 o 31.3151 6.59542 6.62719      5.23757  13.9263      3.63857  23.0744     126.811     1.74643     306.811     
1 1 1 12 29 17 o 17.146  5.73483 2.19896      4.72402  0.34137      3.18141  4.80036     338.225     1.78499     338.225     
1 1 1 12 29 18 o 14.6731 5.06868 -0.838823    2.88436  -3.97368     4.97456  3.64759     193.677     10.1627     13.6766     
1 1 1 12 29 19 o 24.3143 6.65305 9.49979      4.01897  4.05908      3.19143  17.6214     276.672     3.38703     276.672     
1 1 1 12 29 20 o 21.1588 6.15094 3.47679      3.45159  5.39931      3.15499  10.9903     227.679     5.07845     47.6793     
1 1 1 12 29 21 o 15.2547 4.99824 -0.121307    2.67894  1.00582      2.89554  0.676565    323.6       0.769835    143.6       
1 1 1 12 29 22 o 16.2023 5.11331 3.51604      2.79006  -2.41219     2.91096  3.66598     257.617     3.20248     77.617      
1 1 1 12 29 23 o 17.6061 5.44866 3.26444      2.76877  1.35197      2.97985  6.22297     321.732     7.95384     141.732     
1 1 1 12 29 24 o 15.0064 4.94608 1.52581      2.79381  -0.320046    2.8502   2.88762     317.835     1.21479     137.835     
1 1 1 12 29 25 o 11.9837 4.15804 -1.61222     2.55197  -2.90575     2.73085  1.61631     144.01      5.49856     324.01      
1 1 1 12 29 26 o 20.1077 5.91437 5.44021      2.95948  3.86666      3.22825  11.0755     333.911     5.87097     153.911     
1 1 1 12 29 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 30 0  o 31.6398 5.28576 7.1194       2.23636  7.1194       2.23636  28.081      360         4.6971      360         
1 1 1 12 30 1  o 13.8058 4.32469 0.125548     1.82287  0.767157     1.83308  4.50194     295.036     6.37901     115.036     
1 1 1 12 30 2  o 15.0286 4.55157 0.564775     2.00692  1.4369       1.80223  6.52466     127.912     0.916158    307.912     
1 1 1 12 30 3  o 15.762  5.01128 0.936055     2.21893  0.880382     2.88946  7.42588     244.236     0.902831    64.2359     
1 1 1 12 30 4  o 38.2772 5.49268 11.8334      3.124    11.3709      3.12941  32.1699     287.032     4.75041     287.032     
1 1 1 12 30 5  o 25.8634 6.12611 4.95446      3.21111  7.59997      2.85288  17.5996     308.915     2.94926     128.915     
1 1 1 12 30 6  o 18.1602 5.41328 1.8019       2.61213  3.05893      2.60144  11.0205     198.817     0.703752    198.817     
1 1 1 12 30 7  o 17.1898 5.21313 0.152455     2.57124  3.29718      2.5816   5.71534     304.855     2.30076     304.855     
1 1 1 12 30 8  o 21.8772 5.69195 2.1282       2.72219  6.282        2.73743  15.7425     79.3714     1.69241     79.3714     
1 1 1 12 30 9  o 27.0871 5.85649 4.30878      2.88588  9.10306      2.89778  22.8248     294.614     6.49075     294.614     
1 1 1 12 30 10 o 17.2953 5.32282 2.01099      2.65681  1.97356      2.64649  9.47695     143.721     1.34247     323.721     
1 1 1 12 30 11 o 13.0565 4.40561 -1.77014     2.48614  -0.615281    2.4674   2.58482     230.567     7.99318     50.5668     
1 1 1 12 30 12 o 25.2198 6.15039 6.98768      2.92674  5.40919      2.93211  13.8899     168.563     9.01732     348.563     
1 1 1 12 30 13 o 16.1701 5.07304 -1.01701     2.61789  3.00621      2.67022  5.33174     27.5362     1.86129     207.536     
1 1 1 12 30 14 o 26.6704 5.82171 3.25205      2.92828  10.0269      3.06678  17.4        184.339     3.19354     4.33882     
1 1 1 12 30 15 o 20.3323 6.22186 3.00487      3.56091  5.24286      3.6601   9.53959     329.471     0.00740936  329.468     
1 1 1 12 30 16 o 31.6824 7.01086 11.2297      3.74504  10.3812      3.88847  23.8794     189.719     3.0163      189.719     
1 1 1 12 30 17 o 19.1223 5.90918 2.841        3.70943  3.72572      3.02927  7.82159     284.893     2.25749     104.893     
1 1 1 12 30 18 o 15.4591 5.18251 1.50638      3.03593  -2.55903     3.9943   1.10901     323.668     0.701312    143.668     
1 1 1 12 30 19 o 14.4924 4.82276 -1.26257     2.66321  1.39975      2.88678  0.198926    211.396     0.137662    31.3957     
1 1 1 12 30 20 o 13.2607 4.5113  0.510085     2.66945  -3.01032     2.89302  2.13434     193.359     3.0352      13.3592     
1 1 1 12 30 21 o 14.98   4.95617 1.29458      2.79984  0.365129     2.92653  5.45699     41.591      5.11876     221.591     
1 1 1 12 30 22 o 15.9536 5.17448 2.10681      2.83793  1.2802       2.95384  7.10972     187.638     1.50951     187.638     
1 1 1 12 30 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 30 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 31 0  o 34.4613 4.97085 8.21107      2.33327  8.21107      2.33327  39.5688     1.07811e-05 24.8389     1.07811e-05 
1 1 1 12 31 1  o 17.5476 4.80606 3.40383      1.95572  0.893866     1.97241  6.54687     263.409     1.79571     83.409      
1 1 1 12 31 2  o 13.7477 4.32214 1.31679      1.87588  -0.663223    1.9056   1.32773     2.69194     8.68995     182.692     
1 1 1 12 31 3  o 20.2333 5.44284 6.58319      2.77635  -2.78191     3.56528  6.38252     281.319     2.08722     281.319     
1 1 1 12 31 4  o 27.9147 6.48482 8.20015      2.91481  7.7161       3.80316  17.3301     13.7909     11.3027     13.7909     
1 1 1 12 31 5  o 16.1531 5.07774 -0.458783    2.55981  2.72671      2.66089  3.71691     288.804     7.7855      108.804     
1 1 1 12 31 6  o 26.4814 5.70176 9.77658      2.94493  3.0472       2.93274  18.8804     269.657     3.18816     269.657     
1 1 1 12 31 7  o 17.3605 5.34459 1.64676      2.64943  2.58631      2.7135   4.83618     235.088     6.32548     55.0881     
1 1 1 12 31 8  o 19.8105 5.65119 1.66646      2.78522  5.14934      2.80437  8.26066     264.717     0.932279    84.7175     
1 1 1 12 31 9  f 19.4236 5.64231 1.70991      2.83059  4.80944      2.8113   9.45516     330.965     0           0           
1 1 1 12 31 10 o 23.7063 6.24594 6.20154      3.07836  5.56854      3.03344  14.242      349.688     1.73932     169.688     
1 1 1 12 31 11 o 15.6528 5.05075 0.420731     2.67064  1.61841      2.74631  2.75436     304.951     1.89438     124.951     
1 1 1 12 31 12 o 19.0895 5.69486 3.144        2.86567  3.86725      2.87637  7.55621     279.768     8.68384     99.7681     
1 1 1 12 31 13 o 14.4921 4.90065 -0.910981    3.06974  0.439148     3.1189   2.29574     116.752     1.88742     296.752     
1 1 1 12 31 14 o 17.5302 5.54251 -2.16432     3.23355  6.15849      3.45278  7.63493     125.616     0.0735489   305.616     
1 1 1 12 31 15 o 15.537  5.20853 -1.70291     3.42359  2.94585      3.40822  4.78905     311.246     8.7247      131.246     
1 1 1 12 31 16 o 16.5433 5.36931 0.829059     3.69585  2.94138      2.84322  7.97632     162.41      2.77004     342.41      
1 1 1 12 31 17 o 15.3081 5.21137 -2.07447     3.54448  2.58073      3.73732  7.00472     329.552     0.015079    149.552     
1 1 1 12 31 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 31 19 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 32 0  o 11.1164 5.29414 0.383948     2.60249  0.383948     2.60249  0.534881    180         5.85385     360         
1 1 1 12 32 1  o 16.3973 5.21307 0.230285     3.01577  3.30164      2.73702  6.62129     299.494     4.28814     119.494     
1 1 1 12 32 2  o 14.8522 4.95892 -0.476923    3.29539  1.27408      2.7751   2.27908     263.254     0.435033    83.254      
1 1 1 12 32 3  o 13.8969 4.73293 -2.69295     3.8      0.455812     2.57274  1.4745      192.978     0.693147    12.9781     
1 1 1 12 32 4  o 15.8711 4.99888 3.82859      2.55875  -4.35544     3.58863  3.29346     276.248     0.423911    276.248     
1 1 1 12 32 5  o 14.7863 4.85086 0.72138      2.51669  1.05961      2.76064  5.06328     205.16      2.37981     25.1603     
1 1 1 12 32 6  o 12.3044 4.22671 -1.87159     2.4908   -1.06553     2.55781  0.976353    336.74      0.995122    156.74      
1 1 1 12 32 7  o 15.833  4.98401 3.98674      2.68031  -1.92759     2.70439  7.06689     305.333     0.0643533   125.333     
1 1 1 12 32 8  o 11.9671 4.13029 -0.126412    2.50906  -4.35639     2.54214  2.22498     183.432     2.44452     3.43167     
1 1 1 12 32 9  o ?       ?       ?            ?        ?            ?        9.46967     26.7296     0           0           
1 1 1 12 32 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 32 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 12 32 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 0  1  o 174.716 2.03362 166.39       5.46799  166.39       5.46799  197.126     270         42.0998     270         
1 1 1 13 0  2  o 61.3798 2.82234 20.7852      2.64139  20.7852      2.64139  26.9116     360         28.1502     180         
1 1 1 13 0  3  o 196.025 2.00157 209.413      6.03906  209.413      6.03906  222.851     90          50.6918     90          
1 1 1 13 0  4  o 203.416 2.00538 225.493      6.27884  225.493      6.27884  209.006     2.36288e-06 8.19598     2.36288e-06 
1 1 1 13 0  5  o 50.7614 3.08057 14.3487      2.36554  14.3487      2.36554  6.06207     90          94.9048     90          
1 1 1 13 0  6  o 84.6128 2.38402 39.1855      3.09502  39.1855      3.09502  84.4104     180         12.8344     180         
1 1 1 13 0  7  o 62.4047 2.69717 21.4549      2.56947  21.4549      2.56947  8.36208     270         102.903     90          
1 1 1 13 0  8  o 70.9715 2.5541  27.6549      2.77475  27.6549      2.77475  43.3064     180         16.009      180         
1 1 1 13 0  9  o 169.315 2.0446  156.287      5.3273   156.287      5.3273   166.443     90          7.57278     270         
1 1 1 13 0  10 o 8.43925 4.09501 -1.18781     1.71562  -1.18781     1.71562  0.245033    179.999     0.501545    179.999     
1 1 1 13 0  11 o 145.089 2.07213 114.809      4.62531  114.809      4.62531  153.066     90          14.7348     90          
1 1 1 13 0  12 f 25.9647 5.49083 4.54122      1.91161  4.54122      1.91161  59.4052     360         0           0           
1 1 1 13 0  13 o 102.627 2.21101 57.5395      3.48682  57.5395      3.48682  61.8168     90          82.1807     270         
1 1 1 13 0  14 o 51.1876 3.36453 14.6536      2.59642  14.6536      2.59642  0.222427    180         97.2004     180         
1 1 1 13 0  15 o 29.5793 5.40652 5.63489      2.12805  5.63489      2.12805  25.1293     90          81.6529     90          
1 1 1 13 0  16 o 160.319 2.1824  140.194      5.38327  140.194      5.38327  199.916     180         79.1309     180         
1 1 1 13 0  17 o 22.4169 5.82311 3.66754      1.85719  3.66754      1.85719  11.5997     270         29.4558     270         
1 1 1 13 0  18 o 176.014 2.0221  168.925      5.47748  168.925      5.47748  196.238     180         41.0881     180         
1 1 1 13 0  19 o 131.077 2.11019 93.761       4.2543   93.761       4.2543   175.146     90          88.9388     90          
1 1 1 13 0  20 o 63.6091 2.64077 22.2842      2.56607  22.2842      2.56607  62.7835     5.16496e-06 7.5233      5.16496e-06 
1 1 1 13 0  21 o 76.4577 2.45898 32.0613      2.88143  32.0613      2.88143  71.3552     270         9.04092     90          
1 1 1 13 0  22 o 50.6122 3.09329 14.2828      2.36768  14.2828      2.36768  8.46494     180         4.15221     180         
1 1 1 13 0  23 o 62.1279 2.9204  21.3289      2.7652   21.3289      2.7652   12.8474     270         9.151       270         
1 1 1 13 0  24 o 43.3589 3.89869 10.7537      2.48836  10.7537      2.48836  23.7002     1.21807e-09 1.96952     180         
1 1 1 13 0  25 o 15.6869 5.96163 1.92708      1.98616  1.92708      1.98616  2.007       270         4.83033     270         
1 1 1 13 0  26 o 58.6522 3.05195 19.0769      2.72139  19.0769      2.72139  20.8288     180         74.1237     360         
1 1 1 13 0  27 o 14.4088 5.86447 1.43855      2.08517  1.43855      2.08517  9.29377     90          23.2316     90          
1 1 1 13 0  28 o 49.5483 3.46918 13.8079      2.58305  13.8079      2.58305  57.024      180         34.1839     180         
1 1 1 13 0  29 o 22.7948 6.19992 3.89102      2.05946  3.89102      2.05946  0.00476289  270         3.8365      270         
1 1 1 13 0  30 o 51.7738 3.51077 15.0718      2.73611  15.0718      2.73611  62.6802     180         32.3896     180         
1 1 1 13 0  31 o 14.0333 5.77993 1.33009      2.06324  1.33009      2.06324  14.9731     270         38.995      270         
1 1 1 13 0  32 o 61.1809 2.75512 20.7198      2.57121  20.7198      2.57121  59.029      1.86365e-06 1.54397     180         
1 1 1 13 0  33 o 46.2615 4.06788 12.31        2.77717  12.31        2.77717  57.3263     90          39.2742     90          
1 1 1 13 0  34 o 67.8656 3.12257 25.5971      3.23113  25.5971      3.23113  79.8897     180         27.5954     180         
1 1 1 13 0  35 o 63.5681 2.67161 22.3871      2.59383  22.3871      2.59383  46.4602     90          30.6409     270         
1 1 1 13 0  36 o 71.1578 2.67196 28.0243      2.90883  28.0243      2.90883  78.4716     180         18.92       180         
1 1 1 13 0  37 o 63.4869 3.06343 22.5083      2.96235  22.5083      2.96235  59.7755     90          3.32703     270         
1 1 1 13 0  38 f 75.0347 2.66899 31.1984      3.066    31.1984      3.066    66.5157     4.86761e-06 0           0           
1 1 1 13 0  39 o 50.2441 3.03834 14.2401      2.30965  14.2401      2.30965  38.2381     270         20.3335     90          
1 1 1 13 0  40 f 16.372  5.80443 2.27239      1.79344  2.27239      1.79344  13.1765     180         0           0           
1 1 1 13 0  41 o 19.1698 6.01246 3.03734      1.87254  3.03734      1.87254  4.17963     90          28.0599     270         
1 1 1 13 0  42 o 42.5974 3.47623 10.5109      2.20139  10.5109      2.20139  40.5721     180         0.342796    8.65163e-06 
1 1 1 13 0  43 o 14.2292 5.61512 1.67828      1.8337   1.67828      1.8337   4.16766     270         2.26885     89.9999     
1 1 1 13 0  44 o 24.828  6.06935 4.64835      2.09111  4.64835      2.09111  23.4638     180         0.582855    180         
1 1 1 13 0  45 o 7.92294 3.91963 -1.61901     1.77875  -1.61901     1.77875  4.0605      90          12.3143     90          
1 1 1 13 0  46 o 8.3399  4.07817 -1.21826     1.7816   -1.21826     1.7816   3.68528     180         12.5731     180         
1 1 1 13 0  47 o 11.0352 5.05391 0.254409     2.02854  0.254409     2.02854  0.37341     90          9.67116     270         
1 1 1 13 0  48 o 11.8211 5.21847 0.812581     1.9399   0.812581     1.9399   2.579       1.4622e-05  2.65741     180         
1 1 1 13 0  49 o 12.0626 5.41979 0.748522     2.19652  0.748522     2.19652  5.12927     270         3.40794     90          
1 1 1 13 0  50 o 31.4843 6.4422  7.45259      2.70947  7.45259      2.70947  30.4265     3.47508e-06 1.92998     3.47509e-06 
1 1 1 13 0  51 o 24.8135 6.2568  5.04055      2.18008  5.04055      2.18008  25.9687     270         5.83034     270         
1 1 1 13 0  52 o 24.1425 6.38962 4.97902      2.21496  4.97902      2.21496  29.06       3.17514e-06 13.443      3.17514e-06 
1 1 1 13 0  53 o 13.3027 5.92203 1.44761      2.5547   1.44761      2.5547   7.37936     270         7.19225     90          
1 1 1 13 0  54 o 15.8203 6.35417 2.73099      2.40206  2.73099      2.40206  13.1573     360         1.91559     360         
1 1 1 13 0  55 o 14.5803 6.13744 2.27303      2.41619  2.27303      2.41619  8.81647     270         6.91733     90          
1 1 1 13 0  56 o 31.9636 6.46481 8.15448      2.75758  8.15448      2.75758  36.0254     180         13.4839     180         
1 1 1 13 0  57 o 12.8363 5.70129 1.52023      2.35304  1.52023      2.35304  0.158365    89.9997     0.148309    270         
1 1 1 13 0  58 o 10.8096 5.06351 0.550558     2.2141   0.550558     2.2141   2.47186     360         8.92099     180         
1 1 1 13 0  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 1  0  o 46.2015 3.39726 12.0054      2.35175  12.0054      2.35175  2.34114     270         45.0981     270         
1 1 1 13 1  1  o 211.332 2.00186 238.475      6.50095  248.232      6.5268   218.578     254.026     22.3137     254.026     
1 1 1 13 1  2  o 231.422 1.98693 297.666      7.08206  285.975      7.07731  246.613     2.65521     37.142      2.65521     
1 1 1 13 1  3  o 56.6023 2.89785 16.9179      2.48453  18.217       2.53168  0.802094    136.289     86.7609     136.289     
1 1 1 13 1  4  o 209.283 2.0056  235.444      6.46064  241.867      6.46557  196.125     231.756     19.6937     51.7565     
1 1 1 13 1  5  o 190.224 2.01626 201.882      5.91827  192.501      5.89204  179.264     340.368     14.0452     160.368     
1 1 1 13 1  6  o 178.731 2.03024 177.614      5.59983  170.552      5.57444  117.542     54.7808     116.331     234.781     
1 1 1 13 1  7  o 186.952 2.01919 182.289      5.81118  198.793      5.80636  202.668     342.003     40.8405     342.003     
1 1 1 13 1  8  o 219.43  1.99271 249.133      6.70664  275.959      6.74892  235.568     112.336     38.9322     112.336     
1 1 1 13 1  9  o 318.096 1.95522 556.353      9.58866  546.421      9.56558  335.446     343.866     37.0904     343.866     
1 1 1 13 1  10 o 137.969 2.15233 106.366      4.73609  101.17       4.40961  109.311     200.727     48.3329     20.7266     
1 1 1 13 1  11 o 162.612 2.20163 139.982      5.85125  148.359      5.12611  152.262     309.218     12.9483     129.218     
1 1 1 13 1  12 o 201.891 2.14755 225.01       7.14678  219.372      6.1827   167.085     231.912     64.8387     51.9116     
1 1 1 13 1  13 o 98.8796 2.22744 49.7354      3.3607   57.106       3.40437  81.9174     189.617     20.0757     9.61688     
1 1 1 13 1  14 o 63.0142 2.62746 22.87        2.52255  20.6316      2.54715  39.7412     28.5322     18.5734     208.532     
1 1 1 13 1  15 o 73.2821 2.50857 28.7439      2.74737  29.987       2.89769  52.3406     100.191     20.8489     280.191     
1 1 1 13 1  16 o 129.201 2.11078 93.515       4.2049   88.544       4.19212  162.017     254.774     84.5994     254.774     
1 1 1 13 1  17 o 166.223 2.03694 152.249      5.21169  149.035      5.21555  193.591     202.228     66.3499     202.228     
1 1 1 13 1  18 o 66.0359 2.65024 25.0448      2.63378  22.7358      2.72367  49.5355     30.3566     5.06291     210.357     
1 1 1 13 1  19 o 60.3338 2.99363 20.9021      2.51924  19.0796      2.96213  28.067      149.336     46.9196     329.336     
1 1 1 13 1  20 o 67.1665 2.80995 21.5925      2.62083  28.061       3.17459  55.0349     161.653     4.49678     341.653     
1 1 1 13 1  21 o 153.568 2.12799 127.126      4.86973  130.134      5.19275  147.213     264.386     5.07432     84.3863     
1 1 1 13 1  22 o 53.7357 2.97025 15.3061      2.44655  16.4506      2.42649  40.4716     152.027     3.20234     332.027     
1 1 1 13 1  23 o 120.107 2.23793 82.3252      4.28853  75.2737      3.98424  134.485     44.267      39.7943     44.2671     
1 1 1 13 1  24 o 113.209 2.20416 71.516       3.82964  68.4668      3.84625  110.246     164.212     4.29253     164.212     
1 1 1 13 1  25 o 57.8458 2.92853 16.9333      2.58698  19.9031      2.58125  43.4324     231.284     11.1411     51.2844     
1 1 1 13 1  26 o 116.239 2.32763 72.6591      4.16653  75.0188      4.15684  128.114     87.8766     34.2007     87.8766     
1 1 1 13 1  27 o 101.96  2.699   53.6572      4.36211  60.2972      4.06365  120.203     108.427     47.5385     108.427     
1 1 1 13 1  28 o 82.3055 2.93924 37.4876      4.11389  36.9055      3.26791  61.5048     357.575     33.854      177.575     
1 1 1 13 1  29 o 148.246 2.24724 118.398      5.10507  121.884      5.15481  150.227     182.299     12.6369     182.299     
1 1 1 13 1  30 o 37.2218 4.38307 7.01799      2.40894  8.77193      2.42194  22.9747     40.8158     6.09749     220.816     
1 1 1 13 1  31 o 69.2341 2.97849 24.7469      3.12973  28.1958      3.18373  82.8191     214.915     42.3086     214.915     
1 1 1 13 1  32 o 28.5933 4.76062 7.43446      2.21447  2.16812      2.18692  10.9782     220.224     9.37243     40.2242     
1 1 1 13 1  33 o 97.9819 2.43429 51.2549      3.63969  54.3366      3.69366  110.129     181.69      33.4699     181.69      
1 1 1 13 1  34 o 55.6311 3.11796 16.7777      2.64241  17.6942      2.65471  60.3499     63.3407     19.149      63.3407     
1 1 1 13 1  35 o 78.8289 2.87042 34.2664      3.4834   34.6925      3.46152  98.4643     195.041     47.7731     195.041     
1 1 1 13 1  36 o 43.6283 3.49872 10.7035      2.32636  10.8592      2.29115  46.1208     177.012     13.0332     177.012     
1 1 1 13 1  37 o 39.5355 3.85427 9.63613      2.08193  8.34091      2.42499  45.9714     302.63      23.2873     302.63      
1 1 1 13 1  38 o 56.7334 3.11032 19.8884      2.60176  16.4206      2.74957  46.531      135.993     13.8898     315.993     
1 1 1 13 1  39 o 41.4914 3.53384 10.6406      2.27821  9.1296       2.14413  37.6087     70.5279     0.765889    250.528     
1 1 1 13 1  40 o 38.0827 3.89835 11.6082      2.11285  5.75465      2.11003  44.12       267.533     21.2185     267.533     
1 1 1 13 1  41 o 73.1033 2.52929 28.661       2.83333  31.1214      2.84025  66.0265     136.29      6.74242     316.29      
1 1 1 13 1  42 o 40.6287 3.58614 11.027       2.17931  8.28766      2.16569  40.1366     173.416     5.2062      173.416     
1 1 1 13 1  43 o 21.3879 4.98172 2.42796      1.93046  3.11677      1.8925   17.3341     251.89      5.13998     251.89      
1 1 1 13 1  44 o 23.249  4.9865  2.87733      1.95542  3.96869      1.96005  15.5293     99.054      7.35766     279.054     
1 1 1 13 1  45 o 21.5209 4.95284 3.81399      1.96084  1.8793       1.92177  13.5377     185.999     7.06817     5.99888     
1 1 1 13 1  46 o 15.4645 4.60853 1.58823      1.92681  -1.07146     2.05054  5.36725     20.8237     2.60708     200.824     
1 1 1 13 1  47 o 23.907  5.36312 5.22178      2.39093  2.62016      2.17098  19.7496     310.69      0.602067    310.69      
1 1 1 13 1  48 o 25.4394 4.93255 6.37575      2.15367  2.53346      2.11035  18.4433     77.5408     7.43782     257.541     
1 1 1 13 1  49 o 22.1317 5.28326 1.54528      2.40652  5.03939      2.26444  19.1781     26.2266     1.88225     26.2266     
1 1 1 13 1  50 o 28.0375 5.50066 7.79647      2.67013  4.0608       2.41301  28.7744     57.5802     10.487      57.5802     
1 1 1 13 1  51 o 23.2828 5.31458 4.53578      2.18225  3.63172      2.18125  18.5844     301.269     2.01409     121.269     
1 1 1 13 1  52 o 20.7384 5.51189 1.59954      2.35223  4.98162      2.63499  14.128      105.551     6.92071     285.551     
1 1 1 13 1  53 o 19.9683 5.33352 4.73791      2.38214  0.879868     2.58921  17.8596     56.556      5.14956     56.556      
1 1 1 13 1  54 o 16.3782 4.89258 3.51385      2.41697  -1.64051     2.2904   11.4974     306.263     0.280065    306.263     
1 1 1 13 1  55 o 13.8507 4.48795 0.423664     2.1137   -0.280331    2.23045  0.762736    12.7496     0.183361    12.7496     
1 1 1 13 1  56 o 15.5562 4.82292 0.0930439    2.23794  2.09026      2.27378  5.84926     133.463     1.73201     313.463     
1 1 1 13 1  57 o 16.0102 4.94005 0.245689     2.5599   2.42918      2.23471  6.45804     316.25      0.187236    136.25      
1 1 1 13 1  58 o 20.5058 5.54221 3.57033      2.7109   4.972        2.35314  17.597      114.329     4.71249     114.329     
1 1 1 13 1  59 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 2  0  o 75.1381 2.54543 30.9671      2.9297   30.9671      2.9297   60.5642     270         2.65922     270         
1 1 1 13 2  1  o 468.474 1.96031 1185.98      14.1395  1205.52      14.1432  492.371     31.6162     46.0136     31.6162     
1 1 1 13 2  2  o 238.537 1.985   305.542      7.29211  314.523      7.2893   270.205     129.012     70.523      129.012     
1 1 1 13 2  3  o 121.741 2.15394 80.3918      4.03526  81.1855      4.03735  104.636     142.706     18.7108     322.706     
1 1 1 13 2  4  o 152.421 2.06891 129.063      4.85671  124.144      4.85391  173.069     43.9744     57.0419     43.9744     
1 1 1 13 2  5  o 74.8403 2.51489 32.2745      2.90143  28.9749      2.87352  36.1539     175.856     54.4646     355.856     
1 1 1 13 2  6  o 118.568 2.37437 69.6444      4.57633  84.0306      3.9811   101.606     141.373     19.1375     321.373     
1 1 1 13 2  7  o 104.58  2.27136 62.5103      3.7681   56.8914      3.53998  116.511     294.182     76.6859     294.182     
1 1 1 13 2  8  o 143.833 2.15468 106.178      4.58581  119.523      4.96118  118.568     117.238     40.9304     297.238     
1 1 1 13 2  9  o 165.458 2.04002 152.142      5.20408  146.276      5.1901   162.875     158.067     3.77778     158.067     
1 1 1 13 2  10 o 105.988 2.3723  63.6021      3.60058  59.0519      4.09456  123.969     219.823     91.5913     219.823     
1 1 1 13 2  11 o 76.3469 2.624   34.8043      3.04447  29.0564      3.08355  58.3223     70.644      15.5153     250.644     
1 1 1 13 2  12 o 163.959 2.03987 152.335      5.15878  140.822      5.13661  212.193     27.7352     109.617     27.7352     
1 1 1 13 2  13 o 108.616 2.18017 63.9937      3.64706  64.741       3.63839  87.2814     142.525     30.7972     322.525     
1 1 1 13 2  14 o 194.818 2.00658 212.879      6.0353   200.967      6.00129  194.758     316.116     7.03084     316.116     
1 1 1 13 2  15 o 382.406 2.01821 788.243      11.4992  806.135      12.2649  392.072     334.081     22.9933     334.081     
1 1 1 13 2  16 o 121.161 2.29349 81.3211      3.99618  78.8741      4.53079  72.0631     118.464     89.1036     298.464     
1 1 1 13 2  17 o 13.9481 4.05775 -2.86778     1.60792  1.48485      1.67864  14.8088     4.00523     31.9787     4.00523     
1 1 1 13 2  18 o 119.605 2.13509 76.5445      3.92355  79.5406      3.93705  110.59      274.196     6.25699     94.196      
1 1 1 13 2  19 o 116.615 2.15857 75.8058      3.88496  72.644       3.86002  96.8556     58.9116     29.4332     238.912     
1 1 1 13 2  20 o 153.476 2.05647 129.57       4.859    127.336      4.86111  154.348     253.633     10.3052     253.633     
1 1 1 13 2  21 o 300.862 1.96573 491.608      9.1126   495.544      9.10144  315.394     216.721     35.8683     216.721     
1 1 1 13 2  22 o 190.519 2.16153 189.414      6.33647  206.769      6.33734  180.444     6.28488     12.9086     186.285     
1 1 1 13 2  23 o 135.782 2.27277 101.521      4.43858  99.7432      5.03648  120.368     277.021     22.4761     97.0213     
1 1 1 13 2  24 o 139.902 2.1894  101.291      4.55294  112.449      4.88232  135.964     96.1848     1.25805     96.1847     
1 1 1 13 2  25 o 85.4942 2.41674 41.0129      3.17644  38.9506      3.17255  78.3709     114.883     2.11718     294.883     
1 1 1 13 2  26 o 86.9395 2.56394 39.7118      3.40884  43.0623      3.43793  67.0051     39.7649     30.4958     219.765     
1 1 1 13 2  27 o 145.662 2.49496 117.987      5.85614  113.963      5.33186  154.945     111.733     27.2486     111.733     
1 1 1 13 2  28 o 46.997  3.43929 10.9245      2.43815  13.658       2.4395   42.3508     12.6808     22.9197     12.6808     
1 1 1 13 2  29 o 179.62  2.13901 177.604      5.69459  175.032      6.12678  189.191     38.3455     28.6222     38.3455     
1 1 1 13 2  30 o 62.8786 3.79974 23.4357      3.44374  20.5595      3.79389  72.3366     177.155     36.5854     177.155     
1 1 1 13 2  31 o 58.8502 3.67838 20.614       3.31779  17.9938      3.27047  29.866      140.052     49.4166     320.052     
1 1 1 13 2  32 o 25.545  5.2643  5.10106      2.31619  2.32154      2.23971  4.85844     338.458     6.38292     158.458     
1 1 1 13 2  33 o 56.4231 2.90185 19.8993      2.54039  15.5162      2.44701  68.8336     52.8899     39.4234     52.8899     
1 1 1 13 2  34 o 69.3009 2.83714 27.7423      3.13323  25.4895      2.89753  77.9346     249.508     26.0973     249.508     
1 1 1 13 2  35 o 20.8119 4.8441  -0.78994     2.13972  4.34166      2.13985  8.51122     98.1681     9.21495     278.168     
1 1 1 13 2  36 o 76.9388 2.78643 34.0593      3.44357  31.763       3.1374   92.8131     305.712     39.708      305.712     
1 1 1 13 2  37 o 49.8779 3.00767 13.2316      2.27485  14.7053      2.29686  36.5862     255.25      20.4091     75.2505     
1 1 1 13 2  38 o 56.1226 2.91918 16.6358      2.39797  18.7327      2.61393  61.9496     16.9846     19.236      16.9846     
1 1 1 13 2  39 o 24.1937 5.0177  3.16888      1.9645   3.89881      2.02691  16.8582     222.842     4.49526     42.842      
1 1 1 13 2  40 o 38.3735 3.79458 8.50613      2.26181  8.60716      2.09422  30.2845     206.859     9.79766     26.8587     
1 1 1 13 2  41 o 75.345  2.49739 33.1762      2.88872  30.307       2.88558  81.8038     280.309     20.817      280.309     
1 1 1 13 2  42 o 24.7895 4.89912 4.36123      1.97641  3.29784      1.93035  20.1693     252.984     2.17667     72.9839     
1 1 1 13 2  43 o 28.3348 4.60526 4.84419      1.96761  5.14473      1.96754  26.5876     217.705     4.61534     217.705     
1 1 1 13 2  44 o 35.8077 4.1753  8.38799      2.16952  7.21431      2.25722  39.2619     189.3       15.5297     189.3       
1 1 1 13 2  45 o 16.0677 4.42507 2.52304      1.81828  -1.59973     1.83771  0.737136    227.632     0.0436869   47.6317     
1 1 1 13 2  46 o 24.7876 5.05878 2.79327      2.07869  5.31127      2.13529  14.918      280.803     10.387      280.803     
1 1 1 13 2  47 o 19.1325 5.11216 1.3917       2.08207  2.85772      2.11133  10.7171     129.887     4.49694     129.887     
1 1 1 13 2  48 o 30.0835 5.04973 4.63374      2.45591  7.88043      2.26717  30.2399     226.458     7.99147     226.458     
1 1 1 13 2  49 o 14.3364 4.61407 -1.14962     2.1386   0.385801     2.3493   1.75461     357.655     0.458037    357.655     
1 1 1 13 2  50 o 14.9165 4.70383 -0.0862408   2.20212  0.501472     2.19152  7.31883     204.388     2.30119     24.3879     
1 1 1 13 2  51 o 25.0944 5.87945 5.09853      2.43628  5.0785       2.89655  17.1391     252.798     9.07528     72.7976     
1 1 1 13 2  52 o 39.4783 4.11744 10.2007      2.44037  10.5735      2.41372  42.9838     324.166     14.6269     324.166     
1 1 1 13 2  53 o 14.8776 4.70493 1.93329      2.43906  -1.1347      2.05533  8.69555     323.113     3.77679     143.113     
1 1 1 13 2  54 o 16.81   4.79074 4.08794      2.28046  -3.04436     2.47875  12.4524     81.6736     1.40966     81.6736     
1 1 1 13 2  55 o 15.2339 4.87208 -0.411163    2.41033  1.71759      2.53612  7.86672     276.453     1.42249     276.453     
1 1 1 13 2  56 o 14.8081 4.68311 1.4353       2.15268  -0.173565    2.31464  4.0489      244.894     2.04195     64.8937     
1 1 1 13 2  57 o 14.598  4.67284 1.06121      2.25753  0.374803     2.26462  2.68292     149.017     0.387628    329.017     
1 1 1 13 2  58 o 17.9653 5.27803 3.81131      2.3909   2.17501      2.53451  13.7933     355.745     4.81791     355.745     
1 1 1 13 2  59 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 3  0  o 15.026  5.85104 1.70535      1.96064  1.70535      1.96064  20.2991     270         43.2089     270         
1 1 1 13 3  1  o 250.7   2.04912 342.275      8.16588  342.661      7.64655  300.766     170.916     107.618     170.916     
1 1 1 13 3  2  o 289.414 2.11227 454.666      10.043   458.201      8.73339  254.132     111.826     67.6975     291.826     
1 1 1 13 3  3  o 202.638 2.07133 223.038      6.66004  224.47       6.25912  111.265     286.305     178.231     106.305     
1 1 1 13 3  4  o 80.6421 2.43748 35.7469      3.03865  35.2818      3.00114  7.32785     298.447     133.283     118.447     
1 1 1 13 3  5  o 188.059 2.02315 187.045      5.84409  198.47       5.8705   148.179     93.7381     73.2102     273.738     
1 1 1 13 3  6  o 43.4727 3.37882 10.4707      2.19267  10.4067      2.2558   3.98694     114.065     51.7833     114.065     
1 1 1 13 3  7  o 221.788 1.99302 258.087      6.78258  278.205      6.82526  243.192     30.9348     49.859      30.9348     
1 1 1 13 3  8  o 224.225 2.05637 274.812      6.85764  273.187      7.33341  211.313     97.4273     20.4484     277.427     
1 1 1 13 3  9  o 178.944 2.08936 169.859      5.55962  179.248      5.95572  131.235     47.8313     89.5627     227.831     
1 1 1 13 3  10 o 179.999 2.0189  174.004      5.58798  179.173      5.60325  186.422     217.844     20.6442     217.844     
1 1 1 13 3  11 o 127.146 2.17691 88.0368      4.13237  88.2143      4.38845  136.432     319.812     31.8544     319.812     
1 1 1 13 3  12 o 58.8245 2.93548 19.0478      2.48057  18.9072      2.7921   22.1505     162.332     51.9425     342.332     
1 1 1 13 3  13 o 214.707 2.14281 253.09       6.58994  249.54       7.54034  218.293     115.683     13.7907     115.683     
1 1 1 13 3  14 o 147.68  2.05459 120.062      4.66939  117.725      4.67496  110.947     192.811     65.3504     12.8106     
1 1 1 13 3  15 f 271.177 2.02627 402.294      8.19197  399.483      8.72049  212.815     113.233     0           0           
1 1 1 13 3  16 f 182.555 2.01484 179.945      5.65516  183.435      5.67261  124.057     306.831     0           0           
1 1 1 13 3  17 o 34.2207 3.99628 8.17695      1.99442  5.14249      2.00585  9.41224     170.582     50.0598     170.582     
1 1 1 13 3  18 o 20.8617 4.84991 2.55989      1.82492  2.00263      1.78985  21.3708     86.3417     53.722      86.3417     
1 1 1 13 3  19 o 43.2606 3.36035 8.39892      2.1719   12.519       2.14196  5.51613     30.1396     53.0404     210.14      
1 1 1 13 3  20 o 73.8992 2.50446 32.0405      2.83498  27.7818      2.83695  47.4546     308.156     40.7983     128.156     
1 1 1 13 3  21 o 109.332 2.21823 64.3722      3.7398   66.1599      3.72085  96.1076     21.8592     17.2125     201.859     
1 1 1 13 3  22 o 90.0178 2.3758  47.0428      3.27611  41.6029      3.28853  97.5472     322.856     29.568      322.856     
1 1 1 13 3  23 o 99.5682 2.28553 53.6477      3.49892  54.6647      3.50009  110.165     214.957     34.6715     214.957     
1 1 1 13 3  24 f 199.11  2.02564 216.678      6.21672  215.848      6.2048   166.728     106.899     0           0           
1 1 1 13 3  25 o 120.02  2.27509 81.5414      4.35766  75.892       4.04562  98.2805     254.848     34.7053     74.8483     
1 1 1 13 3  26 o 86.5246 2.65304 39.2734      3.41399  42.7599      3.64015  65.4248     327.782     33.1094     147.782     
1 1 1 13 3  27 f 54.4902 3.37198 16.3303      2.77746  16.484       2.8243   47.6872     329.061     0           0           
1 1 1 13 3  28 o 112.11  2.47057 67.556       4.10078  70.066       4.41778  112.526     210.235     9.49357     210.235     
1 1 1 13 3  29 o 133.453 2.48884 91.8532      5.08763  103.347      5.12495  177.226     212.287     98.9777     212.287     
1 1 1 13 3  30 o 124.793 2.66231 83.1749      5.33028  87.7812      4.86324  141.778     195.656     44.2991     195.656     
1 1 1 13 3  31 o 38.5209 4.15059 7.17381      2.24022  9.75567      2.52104  23.2301     304.559     15.9081     124.559     
1 1 1 13 3  32 f 51.5821 3.08397 14.6185      2.34078  14.9206      2.51088  45.6124     169.164     0           0           
1 1 1 13 3  33 o 89.8047 2.48218 46.4543      3.41916  42.3866      3.42679  94.4424     268.778     18.0278     268.778     
1 1 1 13 3  34 o 101.577 2.40028 53.6131      3.73252  60.1396      3.75762  104.893     213.873     15.0318     213.873     
1 1 1 13 3  35 o 20.8195 4.91304 2.75485      1.92071  2.01233      1.78656  9.87881     287.634     4.0997      107.634     
1 1 1 13 3  36 o 80.1434 2.81301 29.0675      3.4974   43.0264      3.26423  78.2451     185.514     3.58881     185.514     
1 1 1 13 3  37 o 46.3047 3.52731 12.7691      2.53755  11.6243      2.41343  33.0605     324.868     20.2126     144.868     
1 1 1 13 3  38 o 135.65  2.12347 103.954      4.44497  99.1933      4.42485  158.163     253.4       56.3341     253.4       
1 1 1 13 3  39 o 15.9798 4.54236 1.77984      1.79158  -0.878206    1.88796  3.91437     234.964     8.00031     54.9642     
1 1 1 13 3  40 o 90.3932 2.5036  49.2969      3.4458   41.9341      3.4884   87.7856     263.025     3.55839     263.025     
1 1 1 13 3  41 o 17.6581 4.75267 2.38544      1.9361   0.267539     1.78489  10.434      220.836     4.99111     40.8362     
1 1 1 13 3  42 o 37.6727 3.77699 9.05286      2.13845  7.69536      2.10986  24.6898     53.6261     20.3768     233.626     
1 1 1 13 3  43 o 33.4961 4.1432  6.92448      2.0684   6.65627      2.05002  30.9446     248.013     2.12124     248.013     
1 1 1 13 3  44 o 44.9673 3.41346 13.1914      2.30682  10.5273      2.31411  40.256      132.649     2.24307     312.649     
1 1 1 13 3  45 o 41.0472 3.80867 10.5535      2.23219  9.61382      2.43889  41.4672     226.817     8.78092     226.817     
1 1 1 13 3  46 o 55.1627 3.33114 19.6925      2.66642  16.22        2.87926  67.8108     147.55      34.4918     147.55      
1 1 1 13 3  47 o 15.808  4.77688 0.510317     1.96612  0.868392     2.15291  7.02948     341.471     7.6138      161.471     
1 1 1 13 3  48 o 22.0712 5.76257 3.92012      2.64046  2.95417      2.5537   14.044      217.694     9.21395     37.6936     
1 1 1 13 3  49 o 20.4647 5.35569 3.03173      2.2417   2.69187      2.23736  14.4822     290.72      4.58336     110.72      
1 1 1 13 3  50 o 32.5634 5.28852 7.61153      2.69867  7.67255      2.49459  29.4673     25.3647     1.56645     25.3647     
1 1 1 13 3  51 o 23.3607 5.01961 7.04891      2.41635  0.608886     2.34603  21.0067     291.062     2.92252     291.062     
1 1 1 13 3  52 o 13.2908 4.38988 -0.700174    2.26131  -0.771259    2.18045  7.58028     316.438     1.00014     136.438     
1 1 1 13 3  53 o 19.6624 5.38349 1.98285      2.54725  3.88288      2.286    16.9037     295.707     3.96999     295.707     
1 1 1 13 3  54 o 14.0569 4.50906 0.16523      2.07671  0.351188     2.14997  7.31622     9.79505     0.233539    9.79506     
1 1 1 13 3  55 o 16.0933 4.94677 2.42852      2.33433  0.175491     2.36217  7.13025     206.823     2.30082     206.823     
1 1 1 13 3  56 o 21.3076 5.18301 0.390478     2.43083  6.69247      2.50827  7.18625     247.848     4.07236     247.848     
1 1 1 13 3  57 o 13.3394 4.39018 -0.677525    2.07265  0.587806     2.29838  2.85303     115.401     1.74454     295.401     
1 1 1 13 3  58 o 14.884  4.74512 1.39651      2.29514  1.04006      2.3055   3.98675     158.058     1.64163     158.058     
1 1 1 13 4  0  o 93.1868 2.32378 47.4808      3.32514  47.4808      3.32514  94.8076     90          6.81206     90          
1 1 1 13 4  1  o 157.955 2.21894 138.579      5.01936  133.402      5.73597  137.268     58.3883     31.5181     238.388     
1 1 1 13 4  2  o 61.976  2.95914 19.9991      2.59582  22.1205      3.01911  2.67303     165.877     111.086     165.877     
1 1 1 13 4  3  o 140.032 2.17176 106.703      4.51083  107.034      4.84964  135.573     155.086     4.0933      155.086     
1 1 1 13 4  4  o 215.505 1.99295 249.868      6.61756  256.299      6.60886  198.954     346.912     26.7976     166.912     
1 1 1 13 4  5  o 145.256 2.0811  117.503      4.6535   112.497      4.65475  86.2859     45.223      110.05      225.223     
1 1 1 13 4  6  o 155.123 2.05789 133.597      4.92525  128.705      4.90531  117.523     237.297     67.0443     57.2971     
1 1 1 13 4  7  o 290.973 2.02339 467.797      8.77977  455.057      9.33499  318.029     290.013     58.683      290.013     
1 1 1 13 4  8  o 145.926 2.24658 123.559      4.70348  108.835      5.31982  41.8713     224.008     202.535     44.0081     
1 1 1 13 4  9  o 183.937 2.08491 187.837      5.72169  181.004      6.07559  177.814     87.0389     5.06279     267.039     
1 1 1 13 4  10 o 65.2381 2.63507 21.7447      2.63005  24.8875      2.63294  22.9303     209.504     67.9802     29.5043     
1 1 1 13 4  11 o 148.075 2.06169 116.909      4.69977  122.149      4.70066  172.151     85.4734     60.9112     85.4734     
1 1 1 13 4  12 o 102.207 2.21909 51.8821      3.46606  62.3729      3.49047  67.3377     256.283     58.1555     76.2834     
1 1 1 13 4  13 o 224.339 2.05536 272.351      7.34565  276.363      6.84218  244.363     275.323     47.6399     275.323     
1 1 1 13 4  14 o 36.802  3.937   8.00822      2.02689  7.1519       2.26819  1.51897     152.669     20.9859     152.669     
1 1 1 13 4  15 o 139.951 2.08768 100.165      4.4872   113.622      4.49833  157.954     287.025     50.1189     287.025     
1 1 1 13 4  16 o 62.6649 2.78337 21.405       2.80403  21.6359      2.5315   38.0185     93.683      22.9011     273.683     
1 1 1 13 4  17 o 180.881 2.08882 170.968      5.63246  186          6.0058   240.98      352.743     133.616     352.743     
1 1 1 13 4  18 o 166.63  2.02794 153.036      5.20983  149.766      5.19692  144.403     208.188     36.3627     28.1876     
1 1 1 13 4  19 o 76.6998 2.45258 29.8359      2.88874  34.5878      2.87649  69.6088     303.306     2.70548     303.306     
1 1 1 13 4  20 o 104.235 2.22528 59.1411      3.56516  59.5058      3.57025  119.025     55.8329     42.893      55.8329     
1 1 1 13 4  21 o 130.499 2.14416 87.7115      4.29661  98.2229      4.31141  148.88      304.596     47.588      304.596     
1 1 1 13 4  22 o 43.9075 3.44537 11.6402      2.29255  9.7558       2.27301  22.5165     17.263      10.9442     197.263     
1 1 1 13 4  23 o 91.7024 2.35893 44.0582      3.29831  47.9028      3.35028  84.0057     95.9873     3.39709     275.987     
1 1 1 13 4  24 o 101.266 2.30919 54.5655      3.58727  57.5302      3.60369  95.8585     45.8107     0.465628    45.8112     
1 1 1 13 4  25 o 32.0265 4.47926 4.66507      2.12875  7.09879      2.12482  2.99678     277.183     51.4425     277.183     
1 1 1 13 4  26 o 256.04  2.2071  354.118      9.03316  361.839      8.34908  286.522     36.4548     71.7673     36.4548     
1 1 1 13 4  27 o 37.393  4.34226 7.1661       2.3985   8.67803      2.41606  19.8311     346.321     19.3023     166.321     
1 1 1 13 4  28 o 78.679  2.90761 31.2857      3.49546  36.8646      3.50791  103.914     198.51      67.7784     198.51      
1 1 1 13 4  29 o 65.5363 3.19503 23.9706      3.18664  23.4515      3.22181  43.5931     77.0607     34.6592     257.061     
1 1 1 13 4  30 o 17.1402 4.8465  -0.233913    2.02954  1.57965      1.96551  4.54137     304.931     14.7867     304.931     
1 1 1 13 4  31 f 161.559 2.50875 148.663      5.97693  137.825      6.46991  132.443     133.46      0           0           
1 1 1 13 4  32 o 64.1367 3.42951 20.1489      3.03473  25.8087      3.7001   45.1779     270.003     29.7931     90.0027     
1 1 1 13 4  33 o 116.481 2.4277  78.4909      4.1699   70.8994      4.49717  121.051     96.3624     18.3648     96.3624     
1 1 1 13 4  34 f 62.4645 2.65623 20.8472      2.52649  22.3815      2.55837  59.9602     243.26      0           0           
1 1 1 13 4  35 o 76.3414 2.44673 33.7316      2.86747  30.7386      2.86537  63.3343     165.924     19.1249     345.924     
1 1 1 13 4  36 o 14.3659 4.35022 -0.0397895   1.75368  0.149598     1.67972  0.0107666   345.939     0.0864238   165.939     
1 1 1 13 4  37 o 70.162  2.67191 28.5986      3.02155  26.2519      2.73174  74.137      175.924     15.6454     175.924     
1 1 1 13 4  38 o 18.5594 4.96268 0.670565     1.96601  2.34321      2.01638  7.68412     300.582     6.11981     120.582     
1 1 1 13 4  39 o 59.0874 3.01382 22.2505      2.70034  17.2614      2.70799  51.3816     219.995     8.33879     39.9947     
1 1 1 13 4  40 o 48.2517 3.35056 14.1365      2.46083  12.5098      2.44624  49.3449     359.607     9.13863     359.607     
1 1 1 13 4  41 o 38.3656 4.15395 7.66058      2.41309  9.86515      2.2845   37.4181     353.361     4.34512     353.361     
1 1 1 13 4  42 o 60.4217 2.91197 19.6173      2.76766  21.9324      2.59674  48.6426     123.08      16.4209     303.08      
1 1 1 13 4  43 o 17.2257 4.87293 1.48282      2.05992  0.989666     1.8564   2.29308     195.47      0.382291    195.47      
1 1 1 13 4  44 o 40.9791 3.8204  10.6632      2.21491  9.37723      2.44735  46.6751     351.831     20.0552     351.831     
1 1 1 13 4  45 o 21.5465 5.18918 3.79969      2.03994  1.79414      2.26667  14.8553     126.98      3.24788     306.98      
1 1 1 13 4  46 o 31.659  4.8962  5.25765      2.22423  7.97714      2.4411   30.2438     293.404     5.38628     293.404     
1 1 1 13 4  47 o 40.4676 3.81295 9.55691      2.31228  10.6346      2.31403  41.5752     130.676     9.84237     130.676     
1 1 1 13 4  48 o 15.3956 4.8342  0.570292     2.41437  -0.0464738   2.15968  9.00821     112.384     3.22241     292.384     
1 1 1 13 4  49 o 17.7784 5.07157 0.030074     2.28469  2.95034      2.24893  12.0158     185.469     2.63628     5.46948     
1 1 1 13 4  50 o 24.1465 5.65866 3.97737      2.95157  4.90841      2.16583  19.9845     180.786     0.0554709   180.786     
1 1 1 13 4  51 o 19.9954 5.43857 2.61287      2.43478  3.26662      2.31002  18.3618     349.115     8.92203     349.115     
1 1 1 13 4  52 o 13.0741 4.30761 -0.305984    2.12838  -1.0718      2.11552  6.89139     104.563     3.02155     284.563     
1 1 1 13 4  53 o 14.8542 4.58749 2.21705      2.10223  -2.01942     2.28347  9.00103     3.53101     1.47722     183.531     
1 1 1 13 4  54 o 14.0866 4.52321 0.552327     2.08587  -0.0250286   2.19614  7.52539     359.052     3.26386     179.052     
1 1 1 13 4  55 o 14.4989 4.47878 2.49177      2.1099   -2.22391     2.08537  4.97005     49.0835     0.145959    229.083     
1 1 1 13 4  56 o 13.8386 4.53794 -1.63267     2.40068  1.01303      2.33163  1.93755     271.05      2.34292     91.0497     
1 1 1 13 4  57 o 28.9771 5.59002 9.43844      2.62308  6.06307      2.7224   31.8836     232.841     18.4401     232.841     
1 1 1 13 4  58 o 14.3114 4.61888 0.450852     2.22336  1.18278      2.3019   8.69594     75.5406     1.71838     255.541     
1 1 1 13 5  0  o 27.0633 5.60376 4.89777      2.02832  4.89777      2.02832  30.415      270         81.9561     270         
1 1 1 13 5  1  o 162.593 2.04944 141.123      5.12045  147.049      5.14091  123.396     353.934     70.265      173.934     
1 1 1 13 5  2  o 70.797  2.65226 25.0858      2.75722  29.8368      3.00486  51.8804     265.549     3.29192     265.548     
1 1 1 13 5  3  o 150.331 2.13734 122.368      4.78264  123.979      5.10948  166.637     12.9709     45.9822     12.9709     
1 1 1 13 5  4  o 173.203 2.19091 164.685      5.4274   162.349      6.22609  139.561     36.7983     59.719      216.798     
1 1 1 13 5  5  o 113.63  2.24988 70.055       3.79861  70.8222      4.064    108.167     307.977     4.29841     307.977     
1 1 1 13 5  6  o 109.04  2.36306 60.1347      3.66689  69.8132      4.26488  95.4286     352.315     13.1748     172.315     
1 1 1 13 5  7  o 121.316 2.3126  77.9599      4.31732  82.6678      4.31233  135.143     249.133     43.6719     249.133     
1 1 1 13 5  8  o 69.1849 2.60304 23.2789      2.76127  29.252       2.73344  54.685      47.8447     2.54565     47.8448     
1 1 1 13 5  9  o 88.8219 2.34111 44.9029      3.21137  41.287       3.17857  96.6871     325.092     52.9079     325.092     
1 1 1 13 5  10 o 210.492 1.99274 237.822      6.46267  245.189      6.45437  144.52      295.769     126.37      115.769     
1 1 1 13 5  11 f 88.4872 2.32069 43.3304      3.17751  42.1831      3.13589  10.607      116.115     0           0           
1 1 1 13 5  12 f 229.031 1.98573 291.241      7.00835  280.666      6.99674  217.386     39.9706     0           0           
1 1 1 13 5  13 o 36.3297 4.07006 6.63774      2.29695  8.19557      2.0565   8.74549     213.777     52.9834     213.777     
1 1 1 13 5  14 o 276.567 1.96604 413.155      8.37517  420.798      8.37031  294.865     1.70068     44.2819     1.70068     
1 1 1 13 5  15 o 98.0756 2.25537 52.1042      3.39183  52.9279      3.41145  79.4005     134.682     22.4733     314.682     
1 1 1 13 5  16 o 138.734 2.1749  110.127      4.51056  99.926       4.75848  79.2685     24.399      110.713     204.399     
1 1 1 13 5  17 o 70.3871 2.5515  27.6047      2.7622   26.617       2.7499   33.5908     140.916     59.7619     320.916     
1 1 1 13 5  18 o 238.309 1.98428 312.809      7.29015  306.523      7.27287  250.192     20.2226     32.0137     20.2226     
1 1 1 13 5  19 o 142.85  2.08708 107.7        4.58777  114.94       4.59074  145.895     50.2013     15.4686     50.2013     
1 1 1 13 5  20 o 65.2785 2.71957 24.7209      2.72774  22.0194      2.70934  7.22101     358.81      107.164     178.81      
1 1 1 13 5  21 o 197.103 2.01991 214.368      6.13882  209.391      6.12225  164.992     216.683     56.0946     36.6825     
1 1 1 13 5  22 o 228.517 2.00458 274.656      7.0379   295.162      7.06401  213.438     333.837     21.0134     153.837     
1 1 1 13 5  23 o 188.944 2.03422 192.87       5.91667  196.645      5.92022  207.876     3.45971     48.2209     3.45971     
1 1 1 13 5  24 o 48.2692 3.29384 11.7058      2.39997  14.0969      2.41892  28.5644     255.004     20.913      75.0045     
1 1 1 13 5  25 o 98.7129 2.44009 52.1955      3.69394  54.4083      3.71201  78.0827     212.584     32.2193     32.5841     
1 1 1 13 5  26 o 46.1364 4.1864  11.9835      3.08527  11.8293      2.71367  17.9567     38.3799     45.8786     218.38      
1 1 1 13 5  27 f 34.646  4.88617 5.78978      2.51108  8.02685      2.51532  54.8558     207.745     0           0           
1 1 1 13 5  28 o 43.5308 4.06743 11.0072      2.69261  10.2701      2.62632  29.837      130.72      12.4319     310.72      
1 1 1 13 5  29 f 36.7304 4.23425 9.03741      2.28443  6.38353      2.29432  31.1981     250.204     0           0           
1 1 1 13 5  30 o 53.5342 3.60797 18.0524      3.0446   14.0172      2.81792  51.8473     54.8224     11.2158     54.8224     
1 1 1 13 5  31 o 66.8883 3.01634 27.6379      3.09898  22.0049      3.05469  62.0089     287.394     0.110315    287.394     
1 1 1 13 5  32 o 40.0519 3.82332 9.98823      2.20999  8.20685      2.34485  34.0931     62.6963     1.06033     62.6963     
1 1 1 13 5  33 o 46.1309 3.30898 12.464       2.23204  11.3973      2.38777  42.2287     89.1908     1.52903     89.1908     
1 1 1 13 5  34 f 98.1832 2.26183 52.1617      3.40688  54.0316      3.42284  92.8013     350.584     0           0           
1 1 1 13 5  35 o 33.1076 4.12029 5.87196      1.98636  6.88012      2.05932  31.4455     276.82      6.47511     276.82      
1 1 1 13 5  36 o 18.0279 4.76513 0.368271     1.72938  2.43205      1.95755  5.50596     242.653     10.7058     62.6525     
1 1 1 13 5  37 o 29.0325 4.59119 4.06554      1.94927  6.08572      2.07398  27.6405     188.651     10.045      188.651     
1 1 1 13 5  38 o 24.5892 4.75946 2.8505       1.85092  4.45383      1.90863  12.6828     1.45146     15.9522     181.451     
1 1 1 13 5  39 o 79.6729 2.68154 32.048       3.24762  39.12        3.29131  74.0445     33.9658     2.90389     213.966     
1 1 1 13 5  40 o 89.263  2.55365 46.8676      3.52679  42.2667      3.47414  92.9414     277.766     16.5594     277.766     
1 1 1 13 5  41 o 50.4654 3.54445 15.1163      2.59153  14.3769      2.82758  41.8313     74.5938     10.8472     254.594     
1 1 1 13 5  42 f 16.7754 4.81487 1.57327      1.94781  0.290328     2.00195  1.08054     150.913     0           0           
1 1 1 13 5  43 o 17.5127 5.01302 0.887824     2.21806  1.49646      2.00542  8.29748     238.793     6.9437      58.7925     
1 1 1 13 5  44 o 23.3065 5.17242 3.69975      2.1481   3.26407      1.98611  18.5296     76.2961     1.14023     76.2961     
1 1 1 13 5  45 o 21.0471 5.14526 2.46783      2.06945  3.06756      2.00558  15.7167     214.241     3.25923     214.241     
1 1 1 13 5  46 o 15.1644 4.59316 0.849517     1.93432  0.115498     1.90872  5.20618     204.112     1.40709     24.1125     
1 1 1 13 5  47 o 15.8845 4.77945 1.22856      2.01916  0.242468     2.11563  8.83915     139.176     0.442189    319.177     
1 1 1 13 5  48 o 21.3039 5.87797 1.78774      3.19586  4.05622      2.65036  18.9511     45.3419     4.74878     45.3419     
1 1 1 13 5  49 o 19.5404 5.17807 1.64154      2.11107  3.37345      2.1858   13.6679     264.238     3.41993     84.2381     
1 1 1 13 5  50 f 16.8009 4.85793 2.85698      2.18699  -0.35431     2.05473  18.6116     95.357      0           0           
1 1 1 13 5  51 o 25.7743 5.79089 6.0702       2.59886  4.81232      2.60831  19.4398     168.995     5.99751     348.995     
1 1 1 13 5  52 o 20.891  5.51077 4.65723      2.31632  1.85541      2.89875  18.7099     112.871     4.34562     112.871     
1 1 1 13 5  53 o 14.3502 4.54801 -0.279591    2.10344  1.00854      2.09164  3.34398     149.254     1.09427     149.254     
1 1 1 13 5  54 o 14.1796 4.51627 -0.234984    2.09395  0.999927     2.0943   7.52206     175.018     3.86246     355.018     
1 1 1 13 5  55 o 17.377  5.08546 1.90956      2.21753  2.49519      2.233    9.30623     321.242     5.78046     141.242     
1 1 1 13 5  56 o 20.5207 5.36232 4.45089      2.28995  2.9146       2.26545  14.2312     95.7318     0.465368    275.732     
1 1 1 13 5  57 o 16.7529 5.12182 1.7677       2.41731  2.84843      2.45092  10.1996     272.236     2.01103     272.236     
1 1 1 13 5  58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 6  0  f 64.3099 2.9308  22.8198      2.87437  22.8198      2.87437  80.229      90          0           0           
1 1 1 13 6  1  o 169.622 2.20864 154.91       6.16468  158.774      5.33209  160.148     131.176     9.97142     311.176     
1 1 1 13 6  2  f 93.2181 2.41556 41.7739      3.5166   53.4724      3.34197  137.053     300.954     0           0           
1 1 1 13 6  3  o 65.5536 2.72274 22.9665      2.80471  24.0815      2.66124  45.1855     55.9451     11.7848     55.9451     
1 1 1 13 6  4  o 105.426 2.30825 57.8816      3.84498  63.4905      3.62056  108.321     252.731     23.2841     252.731     
1 1 1 13 6  5  o 170.395 2.10912 157.831      5.71304  158.688      5.34809  148.706     90.1838     35.2782     270.184     
1 1 1 13 6  6  f 174.262 2.17164 158.775      5.81517  172.447      5.83307  158.829     355.73      0           0           
1 1 1 13 6  7  o 235.575 2.11881 298.509      7.68109  306.539      7.69042  280.472     102.142     98.4346     102.142     
1 1 1 13 6  8  o 246.709 2.11518 324.616      8.03561  339.042      8.03282  273.318     327.283     61.0006     327.283     
1 1 1 13 6  9  o 105.177 2.43036 58.947       3.77783  61.8583      4.08373  58.4709     320.103     82.5834     140.103     
1 1 1 13 6  10 o 88.4774 2.7669  44.4362      3.39079  41.1969      4.06782  55.4666     126.902     51.6763     306.902     
1 1 1 13 6  11 o 110.011 2.43368 62.7189      3.95165  69.5223      4.286    100.501     72.6119     4.21183     252.612     
1 1 1 13 6  12 o 216.437 2.05959 251.835      7.08238  258.974      6.63162  187.54      6.65241     49.8164     186.652     
1 1 1 13 6  13 o 114.937 2.23099 75.4149      4.09542  68.852       3.79619  130.467     44.174      50.8441     44.174      
1 1 1 13 6  14 o 31.4631 4.39604 6.1505       2.10993  5.09755      1.99994  28.6755     247.112     95.1675     247.112     
1 1 1 13 6  15 o 118.261 2.16631 78.9008      3.95454  73.7852      3.92642  93.0547     257.109     39.2007     77.109      
1 1 1 13 6  16 o 255.525 1.97838 356.126      7.78556  355.864      7.78354  258.125     238.121     13.8829     238.121     
1 1 1 13 6  17 o 243.217 2.1266  312.684      7.93166  332.703      7.99378  220.288     9.06043     37.5883     189.06      
1 1 1 13 6  18 o 181.692 2.08694 180.601      5.65979  179.478      6.01161  150.258     161.909     54.8805     341.909     
1 1 1 13 6  19 o 121.774 2.18158 86.3136      4.09139  75.7002      4.07413  108.243     36.6395     17.5342     216.64      
1 1 1 13 6  20 o 158.251 2.0737  133.51       5.04131  139.705      5.06403  126.688     282.87      54.5878     102.87      
1 1 1 13 6  21 o 124.712 2.15349 82.1938      4.13005  87.604       4.13475  149.086     190.131     61.9304     190.131     
1 1 1 13 6  22 o 155.293 2.09753 125.12       4.99396  138.182      5.03031  120.736     318.184     59.9121     138.184     
1 1 1 13 6  23 o 126.566 2.18325 84.5552      4.24234  90.4014      4.26135  159.758     179.23      80.2045     179.23      
1 1 1 13 6  24 o 70.0879 2.68819 27.2741      2.88734  26.5878      2.89309  61.8048     178.968     3.59756     358.968     
1 1 1 13 6  25 o 94.1656 2.72599 47.9677      3.96831  49.2023      3.91931  98.7549     156.801     19.863      156.801     
1 1 1 13 6  26 o 73.7083 3.01365 32.9649      3.41519  26.9233      3.37317  52.5762     336.166     33.5008     156.166     
1 1 1 13 6  27 o 77.0601 2.67097 29.3751      3.13348  35.9807      3.16368  42.335      319.719     61.2874     139.719     
1 1 1 13 6  28 o 42.0038 3.99401 10.9663      2.49529  8.91724      2.51238  28.4981     9.7105      10.4285     189.711     
1 1 1 13 6  29 o 58.3846 3.26317 19.3871      2.91264  18.3902      2.90571  48.3053     313.155     8.49958     133.155     
1 1 1 13 6  30 o 87.9522 2.59989 43.0245      3.64723  42.0559      3.37701  90.5626     301.374     15.4434     301.374     
1 1 1 13 6  31 o 79.7328 2.57328 36.3418      3.15793  33.7006      3.14142  58.7882     144.201     33.5858     324.201     
1 1 1 13 6  32 o 54.3171 3.05568 13.1618      2.46207  20.0098      2.52708  45.7716     234.355     8.43419     54.3546     
1 1 1 13 6  33 o 41.5813 3.57824 6.89133      2.12675  13.1507      2.15458  26.7036     77.0011     22.3883     257.001     
1 1 1 13 6  34 o 15.1918 4.3389  1.5364       1.6954   -0.875772    1.65172  0.777838    229.701     11.5778     49.7009     
1 1 1 13 6  35 o 67.9834 2.66818 26.1301      2.68978  25.2364      2.86754  68.5435     345.659     8.76909     345.659     
1 1 1 13 6  36 o 118.514 2.16663 77.0367      3.94755  77.9979      3.95384  120.368     245.572     14.1727     245.572     
1 1 1 13 6  37 o 25.3512 4.64853 5.08199      1.88745  2.66629      1.87543  20.4461     269.481     8.48585     269.481     
1 1 1 13 6  38 o 55.601  3.14098 17.1971      2.43869  17.7718      2.88032  37.8882     314.164     28.6033     134.164     
1 1 1 13 6  39 o 46.8099 3.72249 16.0806      2.32966  9.59184      2.64942  51.029      235.679     16.0978     235.679     
1 1 1 13 6  40 o 14.0261 4.46688 -0.0784724   1.88828  -1.63751     2.25463  4.96147     325.745     5.50913     145.745     
1 1 1 13 6  41 f 52.976  3.47561 16.5463      2.6567   15.9589      2.93226  31.6341     325.189     0           0           
1 1 1 13 6  42 o 25.2515 4.88828 4.69403      1.98345  3.38573      1.96274  13.5148     277.042     16.7641     97.042      
1 1 1 13 6  43 o 41.927  3.87186 11.1935      2.38251  9.81205      2.47535  38.2277     71.9899     0.156582    71.9908     
1 1 1 13 6  44 o 17.464  4.96872 1.06234      2.01263  1.53613      2.08814  8.0902      147.523     1.59322     327.523     
1 1 1 13 6  45 o 35.8433 4.75224 10.0434      2.77347  6.60202      2.29154  35.5875     126.273     7.84057     126.273     
1 1 1 13 6  46 o 20.6673 5.12592 2.55863      2.02456  3.00637      2.01739  16.1265     201.826     6.74501     201.826     
1 1 1 13 6  47 o 23.3285 5.78998 3.97412      2.60881  3.94521      2.53915  10.2751     202.406     19.9637     22.4065     
1 1 1 13 6  48 o 27.5063 5.68303 5.63193      2.49798  5.64111      2.61906  29.2751     212.912     12.83       212.912     
1 1 1 13 6  49 o 21.9917 5.54524 3.67327      2.37679  3.5039       2.36076  10.0512     171.377     17.1707     351.377     
1 1 1 13 6  50 o 16.0815 4.89201 0.528603     2.246    1.47963      2.16481  10.5162     214.22      0.933728    34.2202     
1 1 1 13 6  51 o 22.7057 5.73366 4.24885      2.65461  4.25708      2.422    23.6632     82.4425     12.1947     82.4425     
1 1 1 13 6  52 o 22.8798 5.50276 4.66432      2.21773  3.95455      2.47624  19.7304     7.46108     1.65832     7.46109     
1 1 1 13 6  53 o 16.7934 4.91152 0.545752     2.10916  2.84838      2.17129  11.9165     63.8628     0.132369    243.863     
1 1 1 13 6  54 o 17.6976 5.08982 2.74164      2.19199  1.89916      2.18098  13.1708     2.11634     2.97177     2.11634     
1 1 1 13 6  55 o 16.7309 5.00586 1.86671      2.19121  1.87594      2.25852  7.96202     79.0425     2.07595     259.042     
1 1 1 13 6  56 o 14.038  4.49292 1.79784      2.18136  -1.56565     2.19252  4.12535     173.757     2.86952     353.757     
1 1 1 13 6  57 o 35.1268 4.91342 10.554       2.57506  9.46578      2.55125  35.8982     209.939     10.9897     209.939     
1 1 1 13 6  58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 7  0  o 170.433 2.04079 158.37       5.35256  158.37       5.35256  231.932     270         124.125     270         
1 1 1 13 7  1  o 192.461 2.01805 204.056      5.98828  199.736      5.97309  232.66      344.551     91.7896     344.551     
1 1 1 13 7  2  o 193.26  2.08643 203.541      6.41038  203.633      6.00116  197.782     178.594     18.2772     178.594     
1 1 1 13 7  3  o 190.249 2.15497 214.424      6.32951  180.905      6.26785  169.645     32.324      32.8427     212.324     
1 1 1 13 7  4  o 29.6646 4.99982 6.47007      2.41508  3.666        2.14502  21.267      303.794     68.4443     303.794     
1 1 1 13 7  5  o 48.2565 3.78651 12.5138      3.00805  13.2605      2.47103  7.54051     137.602     52.6647     317.602     
1 1 1 13 7  6  o 53.2836 3.29096 14.724       2.74646  16.5491      2.57776  8.23849     311.374     68.4851     131.374     
1 1 1 13 7  7  o 163.213 2.18541 146.855      5.48876  143.625      5.49583  132.853     92.1789     51.4375     272.179     
1 1 1 13 7  8  o 73.7001 2.80552 29.9143      3.02268  29.5438      3.31283  62.0758     128.961     6.89433     128.961     
1 1 1 13 7  9  o 78.5901 2.60704 32.585       3.1466   34.9812      3.14266  72.4752     347.704     18.4434     347.704     
1 1 1 13 7  10 o 124.224 2.28711 80.0258      4.37049  88.4547      4.36665  91.1562     77.2987     54.7098     257.299     
1 1 1 13 7  11 o 103.93  2.50691 58.2552      4.17013  59.7458      3.82998  35.2335     266.053     127.065     86.0534     
1 1 1 13 7  12 o 100.199 2.43186 50.3352      3.73609  59.528       3.73715  54.0971     50.3931     80.189      230.393     
1 1 1 13 7  13 o 165.242 2.2757  151.293      5.55749  146.588      6.00678  188.48      158.323     59.2836     158.323     
1 1 1 13 7  14 o 208.742 2.36975 236.856      6.93743  238.574      8.24513  234.14      30.5911     61.5102     30.5911     
1 1 1 13 7  15 o 93.9356 2.48352 54.1477      3.56476  42.6331      3.56771  72.8728     143.766     29.2993     323.766     
1 1 1 13 7  16 o 150.206 2.15885 118.713      5.14499  127.478      4.82015  148.42      210.919     6.65382     210.919     
1 1 1 13 7  17 o 60.2169 2.7856  19.6083      2.57115  20.1675      2.56602  1.90164     112.588     114.85      112.588     
1 1 1 13 7  18 o 22.3649 4.95972 1.88415      1.93452  3.47546      1.9463   12.6644     271.728     39.6751     271.728     
1 1 1 13 7  19 o 15.8161 4.60979 0.75009      1.80914  -0.0114798   1.84399  18.4591     353.856     43.9335     353.856     
1 1 1 13 7  20 o 142.854 2.11716 109.152      4.64704  113.522      4.66661  171.173     97.9417     69.3185     97.9417     
1 1 1 13 7  21 o 97.5242 2.33094 48.5258      3.48374  55.5407      3.49586  97.7048     192.118     13.8038     192.118     
1 1 1 13 7  22 o 97.061  2.34675 50.7336      3.50342  52.2622      3.50068  102.307     223.531     23.9514     223.531     
1 1 1 13 7  23 o 52.8502 3.14093 14.1751      2.52506  16.6673      2.52581  26.0402     130.999     41.0064     310.999     
1 1 1 13 7  24 o 66.3836 3.02342 22.7779      3.07369  25.7214      3.06489  67.7319     192.09      17.1865     192.09      
1 1 1 13 7  25 o 81.0246 2.88507 32.7558      3.5678   39.4811      3.58536  80.7376     187.807     9.9593      187.807     
1 1 1 13 7  26 o 84.3129 2.60253 37.8235      3.35835  40.1611      3.38156  76.3384     312.844     5.99887     132.844     
1 1 1 13 7  27 o 146.404 2.22387 114.758      4.99836  119.713      5.02781  152.854     221.316     23.9481     221.316     
1 1 1 13 7  28 f 57.7352 3.53599 19.2864      3.11495  17.7642      3.10626  42.4734     336.806     0           0           
1 1 1 13 7  29 o 131.07  2.47958 95.9668      4.99313  92.6149      5.00566  140.627     227.021     30.2841     227.021     
1 1 1 13 7  30 o 114.271 2.26028 73.9011      4.08495  69.4187      3.86273  117.464     189.857     16.7452     189.857     
1 1 1 13 7  31 o 17.0608 4.55618 -1.92843     1.73486  2.89539      2.08899  13.9778     289.024     50.6796     289.024     
1 1 1 13 7  32 o 49.7076 3.35572 16.109       2.6005   11.7577      2.44313  51.244      229.247     12.9335     229.247     
1 1 1 13 7  33 o 39.1401 3.58576 8.55682      2.07219  8.83988      2.14881  4.96434     65.0934     62.8906     245.093     
1 1 1 13 7  34 o 32.7128 4.12894 8.1257       1.9791   4.53831      1.96831  32.5944     228.418     11.0568     228.418     
1 1 1 13 7  35 o 49.1721 3.23836 14.6681      2.29707  12.6402      2.51247  46.4253     219.664     2.04061     219.665     
1 1 1 13 7  36 o 89.2785 2.58672 46.9908      3.23201  41.7355      3.79485  92.0114     351.138     14.7105     351.138     
1 1 1 13 7  37 o 68.7322 2.71217 28.9034      2.72415  24.0188      2.94633  58.3201     256.537     12.923      76.537      
1 1 1 13 7  38 o 26.936  4.64396 5.41274      1.92676  3.42038      1.94021  16.3724     163.234     13.8703     343.234     
1 1 1 13 7  39 o 77.963  2.48412 34.3833      2.98276  33.5107      2.96631  72.9297     168.773     1.38107     348.773     
1 1 1 13 7  40 o 17.4053 4.75886 0.873401     1.84476  1.78853      1.81788  9.87263     196.126     6.2136      16.1255     
1 1 1 13 7  41 o 33.9093 4.59917 7.92962      2.32859  6.26755      2.29461  17.0581     292.051     27.6803     112.051     
1 1 1 13 7  42 o 67.6711 3.04596 24.9206      3.26146  27.6717      3.02567  65.7147     171.748     5.20544     171.748     
1 1 1 13 7  43 o 21.6662 4.97137 1.45362      1.96712  4.23458      2.04956  10.9829     204.181     13.4117     24.1807     
1 1 1 13 7  44 o 54.0305 3.49937 18.9495      2.8741   15.6082      2.8588   62.5836     145.584     26.5003     145.584     
1 1 1 13 7  45 o 24.6343 5.10667 5.78336      2.18251  2.25557      2.25943  15.2219     88.0579     11.4899     268.058     
1 1 1 13 7  46 o 14.4903 4.62515 0.104807     2.11854  -0.763355    2.29205  6.11976     267.185     2.8054      87.1854     
1 1 1 13 7  47 o 18.3681 5.17816 1.29088      2.23101  2.50976      2.22566  12.8671     295.418     3.11081     115.418     
1 1 1 13 7  48 o 12.7194 4.22769 -1.49289     2.05969  -1.04732     2.1686   4.18528     34.1044     3.77998     214.104     
1 1 1 13 7  49 o 19.0839 5.31911 2.75184      2.33825  2.0964       2.27093  13.5161     203.911     1.69471     23.9112     
1 1 1 13 7  50 o 23.3556 5.23529 5.45547      2.19692  2.85084      2.23156  21.9682     81.469      5.18858     81.469      
1 1 1 13 7  51 o 13.4467 4.45015 -1.23053     2.50986  -0.362508    2.12598  5.66705     64.1451     8.35372     244.145     
1 1 1 13 7  52 o 16.1718 5.03534 1.34024      2.4454   1.07026      2.42551  10.8076     13.3913     0.438465    193.391     
1 1 1 13 7  53 o 18.0649 5.16104 2.87745      2.26419  2.06807      2.18799  13.4068     216.852     0.205172    36.8523     
1 1 1 13 7  54 o 15.4789 4.79731 1.1497       2.20288  1.23037      2.17154  7.32384     71.7789     0.207012    251.779     
1 1 1 13 7  55 o 20.5512 5.38747 3.231        2.27457  4.13178      2.2835   12.8328     292.034     4.35954     292.034     
1 1 1 13 7  56 o 19.5681 5.1436  5.24528      2.27612  1.32834      2.3093   14.3919     272.435     0.728666    272.435     
1 1 1 13 7  57 o 14.1448 4.57905 -0.0957901   2.22222  1.42363      2.2955   4.28653     220.374     1.6123      220.374     
1 1 1 13 8  0  o 346.317 1.95796 653.468      10.4401  653.468      10.4401  433.202     90          178.397     90          
1 1 1 13 8  1  o 208.371 2.07829 228.45       6.86556  245.078      6.44384  198.015     332.442     11.1317     152.442     
1 1 1 13 8  2  o 329.776 2.09115 584.123      10.6145  601.668      10.6224  334.142     111.291     17.6778     111.291     
1 1 1 13 8  3  o 173.792 2.16965 163.148      5.80132  166.207      5.8112   176.887     98.8199     17.559      98.8199     
1 1 1 13 8  4  o 262.618 2.10815 369.484      8.51762  382.577      8.53149  271.148     18.5528     26.6043     18.5528     
1 1 1 13 8  5  f 23.7849 5.02693 1.6133       2.07217  4.46536      2.10166  21.5405     41.1413     0           0           
1 1 1 13 8  6  o 122.759 2.29349 76.6257      4.31628  87.9972      4.33564  92.8668     149.814     47.6253     329.814     
1 1 1 13 8  7  o 93.0501 2.46531 51.6616      3.55612  43.1265      3.48076  87.8872     143.599     10.6373     143.599     
1 1 1 13 8  8  o 207.08  2.24112 228.467      7.41354  239.302      6.85245  214.948     108.35      26.8507     108.35      
1 1 1 13 8  9  o 65.7912 3.13833 22.6356      3.43309  24.8927      2.81909  17.6425     88.4935     79.3786     268.493     
1 1 1 13 8  10 o 160.733 2.38762 129.673      5.85109  152.664      5.94597  211.105     116.815     118.8       116.815     
1 1 1 13 8  11 o 89.7951 2.5109  40.8466      3.4496   47.4064      3.46704  71.0741     111.797     21.1548     291.797     
1 1 1 13 8  12 o 199.464 2.16182 209.842      6.62387  224.232      6.65173  207.136     90.5539     26.3323     90.5539     
1 1 1 13 8  13 o 196.46  2.1624  203.882      6.53718  217.223      6.54167  159.623     187.853     64.1406     7.85302     
1 1 1 13 8  14 o 85.1464 2.63416 36.8643      3.3062   42.5405      3.58576  96.8403     157.814     69.4195     157.814     
1 1 1 13 8  15 o 105.696 2.39516 61.8292      3.91043  60.2212      3.87611  69.2576     90.1538     63.0641     270.154     
1 1 1 13 8  16 o 185.37  2.18284 187.287      6.22183  187.597      6.23996  162.161     103.646     36.8625     283.646     
1 1 1 13 8  17 o 32.371  4.80884 6.18022      2.23522  5.76128      2.40495  33.6396     73.0471     119.695     73.0471     
1 1 1 13 8  18 o 167.724 2.30596 144.355      5.67544  162.937      6.24046  152.258     158.397     20.5885     338.397     
1 1 1 13 8  19 f 62.0202 2.95074 20.0688      2.67609  22.1949      2.92899  77.9616     258.658     0           0           
1 1 1 13 8  20 o 221.805 2.01499 274.809      6.89188  262.021      6.87025  239.88      65.2443     48.6983     65.2443     
1 1 1 13 8  21 o 182.833 2.05908 177.328      5.79299  187.532      5.79811  185.562     247.826     17.0863     247.826     
1 1 1 13 8  22 o 99.205  2.51904 48.9932      3.8239   58.9146      3.836    101.757     16.5824     17.1413     16.5824     
1 1 1 13 8  23 o 69.5546 3.02259 30.5416      3.3032   22.9098      3.11279  81.8451     38.7596     43.1321     38.7596     
1 1 1 13 8  24 o 66.6806 3.13141 22.5117      3.17142  26.5297      3.20834  54.0924     163.465     14.7381     343.465     
1 1 1 13 8  25 f 45.116  3.71587 10.3406      2.57484  12.4052      2.45554  36.6533     189.305     0           0           
1 1 1 13 8  26 o 172.723 2.35855 163.853      6.29314  162.634      6.25318  177.922     109.792     22.7013     109.792     
1 1 1 13 8  27 o 19.1775 4.9844  -0.464534    2.21055  2.86632      2.03627  3.40556     24.9327     13.7787     24.9327     
1 1 1 13 8  28 o 72.5789 3.17378 30.5861      3.52812  27.7014      3.52452  74.6165     198.928     15.9929     198.928     
1 1 1 13 8  29 o 106.327 2.32737 60.7945      3.66579  63.3276      3.94564  96.7461     15.2838     9.01515     195.284     
1 1 1 13 8  30 o 75.5766 2.57983 28.284       3.0312   34.8625      2.91599  104.725     54.4916     73.6246     54.4916     
1 1 1 13 8  31 f 16.6672 4.67629 0.923231     1.78107  0.901002     1.79628  25.1117     241.663     0           0           
1 1 1 13 8  32 o 25.7954 5.14258 4.03931      1.98681  3.8049       2.28588  15.2821     208.835     9.62913     28.8347     
1 1 1 13 8  33 o 44.0483 3.68387 10.6336      2.17074  11.4432      2.7114   48.6473     282.855     18.5398     282.855     
1 1 1 13 8  34 o 30.565  4.47854 5.66013      1.97153  5.38334      2.10438  23.9315     253.901     16.4528     253.901     
1 1 1 13 8  35 o 59.3662 2.75888 18.2222      2.49268  21.2084      2.51304  63.6548     65.1904     16.9022     65.1904     
1 1 1 13 8  36 o 16.0101 4.55018 0.682728     1.70727  0.98489      1.72726  2.70135     106.074     3.5445      286.074     
1 1 1 13 8  37 o 30.1297 4.32042 4.89149      1.93612  5.9583       1.93502  31.3923     274.06      19.0123     274.06      
1 1 1 13 8  38 o 58.618  2.9292  21.6034      2.5303   17.2912      2.67451  65.108      308.457     21.1486     308.457     
1 1 1 13 8  39 o 14.2386 4.44998 0.164149     2.07395  -0.723836    1.75758  5.76513     55.8106     5.36817     235.811     
1 1 1 13 8  40 o 29.4477 4.57655 8.07714      2.13525  2.9354       2.05777  21.0948     179.488     10.1177     359.488     
1 1 1 13 8  41 o 18.5508 4.90294 1.93747      1.8886   1.70451      1.88169  0.966254    22.4111     28.7449     202.411     
1 1 1 13 8  42 o 22.0465 5.25769 1.09351      2.18682  4.67099      2.35888  14.5024     279.26      6.88507     279.26      
1 1 1 13 8  43 o 14.1549 4.50909 -0.584906    2.06224  -0.417218    2.08008  0.00310219  17.1649     19.1258     197.16      
1 1 1 13 8  44 o 24.6228 5.21841 3.31101      2.14765  4.79371      2.17388  22.8301     325.53      11.3586     325.53      
1 1 1 13 8  45 o 36.3325 5.04435 8.0245       2.50474  9.62444      2.94212  41.7739     122.419     20.5236     122.419     
1 1 1 13 8  46 o 19.6309 5.37788 2.35253      2.39873  2.47196      2.24268  16.0851     343.896     4.28121     343.896     
1 1 1 13 8  47 o 22.3694 5.26698 5.21503      2.25904  1.50976      2.43533  16.3275     244.302     4.82722     64.3022     
1 1 1 13 8  48 o 18.303  5.19964 2.075        2.18968  1.96643      2.29146  10.1392     72.5142     4.46298     72.5142     
1 1 1 13 8  49 o 11.0666 3.80032 -1.58077     1.93609  -3.93276     2.22903  1.66665     249.307     1.76559     69.3071     
1 1 1 13 8  50 o 36.7654 4.68336 10.34        2.40874  8.62607      2.656    34.5826     143.616     3.31828     143.616     
1 1 1 13 8  51 o 18.7076 5.26466 2.74252      2.36279  2.42325      2.1837   13.7807     178.399     1.71028     358.399     
1 1 1 13 8  52 o 18.2724 5.3159  3.01908      2.38713  1.82547      2.48574  13.2757     303.87      1.06684     123.87      
1 1 1 13 8  53 o 19.3515 5.31224 3.28899      2.29659  2.89077      2.23645  16.3759     21.0961     5.80964     21.0961     
1 1 1 13 8  54 o 15.8961 4.88716 1.39273      2.21196  1.40727      2.24911  6.94348     69.8646     4.31152     249.865     
1 1 1 13 8  55 o 13.4989 4.46135 0.556582     2.39962  -1.08388     2.20202  3.16108     308.499     7.06421     128.499     
1 1 1 13 8  56 o 15.9647 4.96964 1.86095      2.49224  1.88869      2.25693  9.61385     79.196      0.0758261   79.1958     
1 1 1 13 8  57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 9  0  o 78.6726 2.60842 33.9561      3.14414  33.9561      3.14414  17.8744     270         12.4091     270         
1 1 1 13 9  1  o 159.663 2.30428 137.975      5.89336  140.09       5.42372  145.748     265.296     15.6008     85.2962     
1 1 1 13 9  2  o 89.1308 2.50915 42.003       3.43598  44.8395      3.4351   78.7327     264.848     0.320539    264.848     
1 1 1 13 9  3  o 34.0927 4.52782 5.30619      2.26124  7.95362      2.30008  18.3406     287.251     73.2843     287.251     
1 1 1 13 9  4  o 183.11  2.17191 181.478      6.12416  184.194      6.12385  172.902     112.51      8.54121     292.51      
1 1 1 13 9  5  o 50.2616 3.33741 13.7683      2.5534   14.0839      2.55197  8.07743     23.6175     57.5878     203.618     
1 1 1 13 9  6  o 147.27  2.1563  112.192      4.72993  124.507      5.05173  130.801     324.368     20.3187     144.368     
1 1 1 13 9  7  o 36.5157 4.09755 7.5882       2.17207  7.37033      2.2791   37.8742     122.797     131.097     122.797     
1 1 1 13 9  8  o 137.836 2.10428 103.831      4.46884  103.366      4.46391  151.677     214.883     43.0579     214.883     
1 1 1 13 9  9  o 234.879 1.99199 292.076      7.19469  309.625      7.21076  262.459     110.409     67.4468     110.409     
1 1 1 13 9  10 o 189.413 2.03648 199.134      5.96087  192.153      5.91822  208.026     281.571     49.5947     281.571     
1 1 1 13 9  11 o 131.78  2.13173 94.7628      4.32688  94.6548      4.32481  121.659     173.109     8.16091     353.109     
1 1 1 13 9  12 o 56.9617 3.0381  19.3479      2.747    16.37        2.54236  40.9429     209.738     5.15436     29.7378     
1 1 1 13 9  13 o 154.893 2.33749 132.693      5.82858  129.125      5.31644  187.241     152.82      77.8853     152.82      
1 1 1 13 9  14 o 65.3594 2.90558 22.4764      2.91489  24.4002      2.89957  14.8137     186.085     90.574      6.08549     
1 1 1 13 9  15 o 215.018 2.5538  250.545      8.4393   254.23       8.47206  229.663     230.489     41.1586     230.489     
1 1 1 13 9  16 o 132.237 2.29779 95.0974      4.67335  95.7355      4.68466  133.219     177.73      13.898      177.73      
1 1 1 13 9  17 o 71.0544 2.81875 26.6993      3.07376  28.6571      3.06648  76.7849     176.627     43.7428     176.627     
1 1 1 13 9  18 o 50.1518 3.39305 14.6872      2.5779   13.118       2.59071  22.0257     224.168     38.8588     44.1677     
1 1 1 13 9  19 o 42.0939 3.93858 9.06899      2.4983   10.7412      2.46114  12.492      346.791     39.138      166.791     
1 1 1 13 9  20 o 63.2299 3.23453 22.1181      3.25036  21.8824      3.00172  50.794      244.427     9.39143     64.4274     
1 1 1 13 9  21 o 92.5926 2.84603 45.3446      4.05021  48.6508      4.04207  93.0047     140.755     13.1601     140.755     
1 1 1 13 9  22 o 70.8095 3.03015 24.3265      3.13451  30.9948      3.43519  55.5673     186.085     19.7322     6.08544     
1 1 1 13 9  23 o 20.8125 4.95605 0.365698     1.93041  3.70066      2.13718  13.2753     13.6385     50.8933     13.6385     
1 1 1 13 9  24 o 98.1203 2.44841 52.1807      3.68522  53.2937      3.70185  124.952     311.616     67.7808     311.616     
1 1 1 13 9  25 o 20.1421 4.95984 3.42267      2.08608  -0.0711267   2.06523  9.91539     13.4366     38.6249     13.4366     
1 1 1 13 9  26 o 24.4612 5.02047 1.70665      2.10394  4.9422       2.14284  10.8648     110.482     55.6478     110.482     
1 1 1 13 9  27 o 99.3357 2.60918 53.8597      3.97613  54.5982      3.99226  106.926     167.747     26.9109     167.747     
1 1 1 13 9  28 o 101.045 2.5825  55.6493      3.99783  56.6615      4.02557  95.7023     157.366     0.0621449   337.364     
1 1 1 13 9  29 o 26.7315 4.92034 3.46027      1.90638  4.9504       2.20212  7.43371     348.728     0.501889    168.728     
1 1 1 13 9  30 o 14.5293 4.43666 0.586701     1.92894  -1.03968     1.76215  7.40431     9.52355     28.2391     9.52355     
1 1 1 13 9  31 o 76.7074 2.57092 30.8579      3.02759  34.2577      3.02178  79.4384     302.006     14.3607     302.006     
1 1 1 13 9  32 o 80.8127 2.52726 37.3586      3.11997  34.9578      3.15053  82.7528     206.504     12.7633     206.503     
1 1 1 13 9  33 o 56.1123 2.92206 19.3194      2.42875  15.9609      2.55088  57.7929     319.829     11.6484     319.829     
1 1 1 13 9  34 o 71.0734 2.51767 27.0387      2.74417  29.1032      2.74628  51.8405     233.454     30.3562     53.4542     
1 1 1 13 9  35 o 34.5262 3.98795 7.889        2.04551  6.08737      2.0274   29.209      227.878     2.40059     47.8778     
1 1 1 13 9  36 o 62.0427 2.96003 23.1493      3.07897  20.2246      2.54383  57.9326     288.422     0.126486    288.423     
1 1 1 13 9  37 f 35.2212 4.31496 7.14144      2.33844  7.60496      2.16331  34.2915     234.38      0           0           
1 1 1 13 9  38 f 26.3261 5.03018 5.55731      1.97591  2.86214      2.41983  34.757      229.192     0           0           
1 1 1 13 9  39 o 39.8716 3.77611 9.76834      2.19367  8.93894      2.31212  39.9178     258.849     7.41282     258.849     
1 1 1 13 9  40 o 22.5744 4.74851 4.84017      1.95099  1.25921      1.94196  18.2331     301.082     1.91604     301.082     
1 1 1 13 9  41 o 35.2712 4.10451 7.45188      2.15415  7.63208      2.14921  36.6025     334.263     11.5898     334.263     
1 1 1 13 9  42 o 67.3812 2.71956 28.714       2.80957  23.1257      2.78531  73.7689     166.169     23.1367     166.169     
1 1 1 13 9  43 o 22.232  5.53599 2.77602      2.33471  3.58724      2.39003  17.2466     288.826     2.42282     288.826     
1 1 1 13 9  44 o 31.5262 5.76073 8.05046      2.90303  6.02113      2.76352  32.9824     254.175     13.0774     254.175     
1 1 1 13 9  45 o 15.7333 4.72184 0.493525     1.97382  1.06782      2.01388  8.61063     341.924     1.14498     161.924     
1 1 1 13 9  46 o 18.0341 5.25538 0.106931     2.48342  2.81153      2.4359   5.49167     74.0794     19.136      254.079     
1 1 1 13 9  47 o 17.3109 5.1057  2.06409      2.26509  0.743556     2.32069  8.25141     246.939     3.41612     246.939     
1 1 1 13 9  48 o 32.0783 5.14182 7.40487      2.51089  7.38954      2.45131  37.1942     230.207     20.5141     230.207     
1 1 1 13 9  49 o 20.4928 5.43801 3.63069      2.26497  2.69823      2.43681  14.7742     267.234     4.26161     87.2342     
1 1 1 13 9  50 o 18.0519 4.90433 4.01785      2.17489  -0.315413    2.15882  12.4818     37.8917     7.52453     37.8917     
1 1 1 13 9  51 o 14.419  4.61233 0.382694     2.26587  0.258834     2.1188   8.05448     235.718     1.6254      55.7184     
1 1 1 13 9  52 o 27.0782 5.76391 7.33031      2.58304  5.56338      2.71965  20.645      66.9324     4.99502     246.932     
1 1 1 13 9  53 o 17.4196 5.09087 2.77997      2.23251  1.60714      2.25649  9.51986     347.332     2.90207     347.332     
1 1 1 13 9  54 o 17.7736 5.25895 2.75014      2.33535  2.06746      2.52689  7.358       70.526      9.8056      250.526     
1 1 1 13 9  55 o 19.1519 5.25442 1.88391      2.34034  4.64557      2.32492  13.3061     278.773     0.410025    98.7729     
1 1 1 13 9  56 o 13.0618 4.35089 -1.30682     2.42505  0.577453     2.19228  5.93447     102.079     0.0660782   282.079     
1 1 1 13 10 0  f 50.7286 3.43126 14.4192      2.62049  14.4192      2.62049  18.622      270         0           0           
1 1 1 13 10 1  o 229.95  2.13781 292.678      7.57031  284.052      7.56826  232.815     357.903     18.4716     357.903     
1 1 1 13 10 2  o 89.623  2.52568 44.9271      3.47433  42.8834      3.48142  92.6454     65.2902     30.6197     65.2902     
1 1 1 13 10 3  o 67.5772 2.84495 25.5632      2.94226  24.4873      2.95063  42.5477     68.3118     28.9768     248.312     
1 1 1 13 10 4  f 27.9635 4.96239 5.10291      2.08136  3.8059       2.21319  41.9011     266.808     0           0           
1 1 1 13 10 5  o 193.486 2.10313 207.521      6.05772  200.805      6.4603   208.12      222.514     42.456      222.514     
1 1 1 13 10 6  o 46.8988 3.51859 12.553       2.40943  11.7791      2.58252  8.26923     211.866     1.8842      31.866      
1 1 1 13 10 7  o 93.4512 2.35065 47.0666      3.36883  48.3467      3.38552  42.081      211.275     91.2763     31.2748     
1 1 1 13 10 8  o 66.674  2.69532 24.5986      2.77617  24.0986      2.73544  57.1958     335.72      29.722      335.72      
1 1 1 13 10 9  o 257.932 2.06041 356.357      7.87977  369.308      8.48523  240.686     29.231      21.8973     209.231     
1 1 1 13 10 10 o 157.347 2.16453 132.319      5.0581   137.791      5.4304   120.754     239.822     62.5558     59.8222     
1 1 1 13 10 11 o 272.481 2.05668 392.919      8.29915  417.081      8.96146  256.465     11.2352     18.9801     191.235     
1 1 1 13 10 12 o 127.187 2.2677  88.1827      4.25815  88.3912      4.61359  88.9712     126.765     66.0741     306.765     
1 1 1 13 10 13 f 58.6824 3.50161 16.4316      2.8931   21.7029      3.37872  65.2477     331.393     0           0           
1 1 1 13 10 14 o 152.57  2.19793 124.425      4.95133  129.585      5.37466  144.284     214.279     4.60857     34.2791     
1 1 1 13 10 15 o 137.023 2.14155 99.6289      4.52004  105.265      4.51461  99.5526     104.826     63.9121     284.826     
1 1 1 13 10 16 o 226.169 2.07822 278.765      7.49464  279.34       6.97111  205.467     299.303     27.7607     119.303     
1 1 1 13 10 17 f 98.0585 2.47031 53.0102      3.87731  52.1409      3.56685  114.267     141.359     0           0           
1 1 1 13 10 18 o 82.0275 2.68198 36.6038      3.37325  37.0928      3.38375  80.1814     142.592     11.4954     142.592     
1 1 1 13 10 19 o 117.123 2.6338  70.5224      4.74144  79.7145      4.73273  105.206     61.8044     12.241      241.804     
1 1 1 13 10 20 o 86.7086 2.89214 40.3609      3.85626  42.1174      3.84358  86.1437     20.1589     11.3151     20.1589     
1 1 1 13 10 21 o 170.259 2.42167 164.991      6.37672  152.046      6.31589  163.83      270.893     0.526279    90.8933     
1 1 1 13 10 22 o 30.6855 4.7956  5.47694      2.20486  5.35039      2.20649  3.75735     267.435     37.8683     87.4352     
1 1 1 13 10 23 o 24.8957 5.2736  3.85651      2.24209  3.14016      2.12592  0.893507    186.89      16.912      6.89011     
1 1 1 13 10 24 o 28.3436 5.05896 3.38288      2.25878  5.92531      2.24274  2.34935     154.407     45.435      154.407     
1 1 1 13 10 25 o 213.328 2.25039 241.781      7.6358   256.573      7.11963  234.611     59.1757     59.2641     59.1757     
1 1 1 13 10 26 o 115.191 2.58271 71.9336      4.14262  73.8677      4.97905  137.703     261.598     58.238      261.598     
1 1 1 13 10 27 o 56.0403 3.75516 17.0903      2.82526  18.0642      3.54939  52.0502     70.4055     4.01522     70.4055     
1 1 1 13 10 28 o 81.0783 2.79008 31.0763      3.15287  41.9533      3.80144  88.2384     147.146     25.32       147.146     
1 1 1 13 10 29 o 59.0386 2.76042 19.0773      2.5067   19.5585      2.48358  51.3826     311.94      6.2867      131.94      
1 1 1 13 10 30 o 21.3524 4.86724 1.82638      1.83784  3.23123      1.86797  8.56751     200.986     10.8873     20.986      
1 1 1 13 10 31 o 53.3135 3.14744 15.579       2.49728  16.2892      2.62378  55.4016     78.6706     12.7752     78.6706     
1 1 1 13 10 32 o 32.7744 4.14452 5.90924      1.96992  6.62636      2.05997  18.9916     342.839     20.134      162.839     
1 1 1 13 10 33 o 20.848  5.15861 2.78719      2.26502  1.96181      1.81995  7.43702     294.284     16.6393     114.284     
1 1 1 13 10 34 o 31.0217 4.32025 5.0709       1.97214  6.37419      2.00681  23.0736     331.411     7.52604     151.411     
1 1 1 13 10 35 o 41.5077 3.41938 9.72274      2.13263  9.99493      2.15668  36.6608     317.438     1.76882     137.438     
1 1 1 13 10 36 o 33.784  4.1133  8.6748       2.02255  5.01513      2.02672  25.6925     174.122     8.93465     354.122     
1 1 1 13 10 37 o 20.7832 4.89318 1.67584      1.8572   3.27774      1.89621  15.0137     125.514     2.36793     305.514     
1 1 1 13 10 38 o 20.3146 4.80148 3.60584      1.89226  0.952053     1.88001  15.2685     197.841     6.88025     197.841     
1 1 1 13 10 39 o 51.3339 3.08459 16.3789      2.43761  13.9095      2.38294  58.2154     290.476     22.6292     290.476     
1 1 1 13 10 40 o 61.5844 2.81765 21.4457      2.65385  21.809       2.66149  54.2477     36.7464     5.43033     216.746     
1 1 1 13 10 41 o 13.8105 4.34956 0.0266658    1.81656  -0.735265    1.94324  0.673664    206.805     19.8333     206.805     
1 1 1 13 10 42 o 29.4757 4.72944 4.48141      2.08234  6.72504      2.14182  20.552      315.186     10.0612     135.186     
1 1 1 13 10 43 f 39.5164 4.65151 8.27696      2.71125  11.8135      2.68173  33.0914     285.958     0           0           
1 1 1 13 10 44 f 33.8937 4.64782 7.71639      2.44347  7.32059      2.23231  38.2863     356.578     0           0           
1 1 1 13 10 45 o 43.0499 4.91525 12.6702      3.25902  12.2596      3.03302  38.4539     235.472     0.980729    55.4723     
1 1 1 13 10 46 o 36.1309 4.84005 7.98896      2.46225  9.7941       2.73007  25.3466     356.226     14.0743     176.226     
1 1 1 13 10 47 f 33.7236 4.82219 10.3259      2.33754  5.64669      2.49661  22.6708     257.712     0           0           
1 1 1 13 10 48 o 24.5336 5.28355 2.88264      2.30157  6.28613      2.3254   15.0208     296.234     12.2559     116.234     
1 1 1 13 10 49 o 26.6985 5.42715 6.85021      2.43805  4.44079      2.36169  25.4503     203.298     5.47184     203.298     
1 1 1 13 10 50 f 15.8448 4.86385 0.781699     2.20697  1.52153      2.21201  5.37403     125.448     0           0           
1 1 1 13 10 51 o 36.7053 4.78587 11.1373      2.71756  8.70319      2.49321  34.4261     141.992     4.25744     141.992     
1 1 1 13 10 52 o 21.8658 5.49741 6.23928      2.57548  1.96362      2.5152   19.6809     26.5787     6.61555     26.5787     
1 1 1 13 10 53 o 17.8692 5.26004 3.23176      2.37685  1.41747      2.54768  4.12348     285.188     1.20628     285.188     
1 1 1 13 10 54 o 16.3932 4.88435 3.28508      2.25366  -0.182321    2.24575  4.49989     13.1591     0.726295    13.1591     
1 1 1 13 10 55 o 15.2559 4.76302 0.496214     2.2018   2.35026      2.25234  8.19693     198.067     4.06899     18.0668     
1 1 1 13 10 56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 11 0  o 12.0204 5.43454 0.140361     2.25006  0.140361     2.25006  0.586829    270         1.26493     270         
1 1 1 13 11 1  o 39.1264 4.35351 7.3415       2.43479  9.94466      2.62068  1.05217     186.615     56.2824     186.615     
1 1 1 13 11 2  o 191.474 2.18261 197.294      6.42562  202.661      6.44454  190.589     219.562     11.3813     219.562     
1 1 1 13 11 3  o 158.674 2.16337 143.943      5.10883  130.859      5.43358  181.34      345.456     59.8512     345.456     
1 1 1 13 11 4  o 258.301 1.99    362.697      7.91662  364.916      7.91401  281.71      183.907     61.4971     183.907     
1 1 1 13 11 5  o 259.144 2.0663  372.261      7.9551   360.253      8.51566  272.604     325.069     41.4256     325.069     
1 1 1 13 11 6  o 106.488 2.37455 61.1646      3.74827  62.713       4.02752  88.4284     71.7924     23.5521     251.792     
1 1 1 13 11 7  o 100.609 2.49832 57.2351      3.87717  53.4273      3.84939  99.0979     30.0756     11.1888     30.0755     
1 1 1 13 11 8  o 156.133 2.26339 133.156      5.45241  132.836      5.4312   135.475     192.913     29.4733     12.913      
1 1 1 13 11 9  o 88.2542 2.67402 41.1577      3.63164  44.0822      3.61566  99.4699     104.158     41.8081     104.158     
1 1 1 13 11 10 o 114.62  2.54324 73.5875      4.31228  70.009       4.63784  111.954     93.2443     8.10977     93.2443     
1 1 1 13 11 11 o 241.792 2.16401 318.718      8.06498  319.132      8.04971  271.408     313.899     74.6256     313.899     
1 1 1 13 11 12 o 91.8548 2.63391 42.8405      3.69578  49.5806      3.72678  97.9451     106.986     29.3089     106.986     
1 1 1 13 11 13 o 38.1133 4.75518 11.3094      2.58346  5.54762      2.66019  9.62519     261.354     10.5479     81.3536     
1 1 1 13 11 14 o 55.6017 3.53203 20.0804      2.94312  14.2974      2.96145  43.8976     124.55      15.3767     124.55      
1 1 1 13 11 15 o 21.6823 5.57056 2.3836       2.38018  1.88918      2.4362   16.5025     253.591     49.2886     253.591     
1 1 1 13 11 16 o 150.559 2.3086  113.851      5.3057   134.078      5.37782  162.284     139.704     37.466      139.704     
1 1 1 13 11 17 o 112.727 2.75834 68.2049      4.77699  70.9242      4.78353  127.944     3.39579     44.8234     3.39579     
1 1 1 13 11 18 o 135.384 2.46389 97.3742      4.86504  103.115      5.39782  117.891     320.135     23.0123     140.135     
1 1 1 13 11 19 o 95.2285 2.58247 51.3727      3.77377  47.9837      3.78241  114.877     151.403     53.3843     151.403     
1 1 1 13 11 20 o 56.7666 3.19576 16.2205      2.87952  19.4205      2.60742  51.6022     75.1226     4.11921     75.1226     
1 1 1 13 11 21 o 66.2771 2.97091 24.8951      3.06685  23.4771      2.96627  53.9217     255.469     12.8403     75.4689     
1 1 1 13 11 22 o 81.3453 3.08416 36.262       3.57366  36.6142      4.10739  45.2905     5.24525     61.9799     185.245     
1 1 1 13 11 23 o 92.4945 3.16206 42.7517      4.16419  51.7821      4.82474  82.641      164.963     7.6567      344.963     
1 1 1 13 11 24 o 45.0647 3.83762 13.8825      2.53569  9.15112      2.56576  40.1191     98.8013     13.1156     98.8013     
1 1 1 13 11 25 o 40.6756 3.81367 8.66907      2.3805   9.99982      2.25384  28.6895     21.6929     9.15081     201.693     
1 1 1 13 11 26 o 69.7236 2.94608 22.611       3.0953   31.5285      3.13921  73.0842     163.085     18.6273     163.085     
1 1 1 13 11 27 o 24.9666 4.93379 2.12711      2.0491   5.04926      2.0748   7.87995     275.299     17.7683     95.2993     
1 1 1 13 11 28 o 62.6731 2.75948 20.216       2.69051  23.3768      2.5887   75.6719     297.93      37.6535     297.93      
1 1 1 13 11 29 o 60.8735 2.80245 20.0284      2.53876  21.1588      2.68709  69.3179     102.68      26.5245     102.68      
1 1 1 13 11 30 o 23.3442 5.16779 4.80871      2.35789  1.41273      2.00222  14.0949     353.431     4.67319     173.431     
1 1 1 13 11 31 o 29.404  4.76235 6.1699       2.0265   4.16125      2.22617  27.2602     273.83      10.9952     273.83      
1 1 1 13 11 32 o 84.6545 2.45741 41.1305      3.1011   38.3914      3.27982  78.9403     185.013     1.262       5.01251     
1 1 1 13 11 33 o 14.6414 4.35287 -0.426389    1.70565  0.855326     1.68875  1.19697     94.7089     9.78295     274.709     
1 1 1 13 11 34 o 48.0343 3.12952 12.844       2.2828   13.2958      2.29442  39.8119     305.682     8.46172     125.682     
1 1 1 13 11 35 o 26.3282 4.6926  5.37803      1.93004  3.07786      1.95562  13.4219     92.7727     18.6933     272.773     
1 1 1 13 11 36 o 24.832  4.71141 5.39521      1.95525  2.12966      1.93675  24.5874     154.96      12.2783     154.96      
1 1 1 13 11 37 o 57.6609 3.0279  18.0711      2.78644  19.8112      2.52465  59.5561     180.613     12.4152     180.613     
1 1 1 13 11 38 o 21.8923 4.9314  2.18786      1.90136  3.66048      1.91421  14.631      106.203     5.7221      286.203     
1 1 1 13 11 39 f 56.7078 2.95571 18.1503      2.54947  18.7048      2.57619  32.6749     85.3017     0           0           
1 1 1 13 11 40 o 14.8701 4.45071 -1.0398      1.83395  1.34715      1.85891  3.97439     138.815     5.14721     318.815     
1 1 1 13 11 41 o 35.8395 4.62062 8.46831      2.45521  7.69902      2.45466  38.7146     17.639      15.9296     17.639      
1 1 1 13 11 42 o 25.8158 5.54536 4.79232      2.39365  4.38695      2.4079   13.9358     197.667     16.175      17.6667     
1 1 1 13 11 43 o 40.5039 4.01575 9.78693      2.33925  10.6698      2.53362  40.9162     331.521     9.55462     331.521     
1 1 1 13 11 44 o 14.1108 4.55701 -1.8229      2.3108   0.364441     2.20403  6.60391     350.321     2.30705     170.321     
1 1 1 13 11 45 f 50.6534 4.0665  14.19        3.08823  18.4814      3.07119  43.5517     106.549     0           0           
1 1 1 13 11 46 o 19.6288 5.37757 2.96026      2.28736  2.20255      2.37755  12.9755     350.997     4.09771     170.997     
1 1 1 13 11 47 o 14.1406 4.54435 -0.39616     2.01506  0.197139     2.29128  6.52104     147.036     0.215754    327.036     
1 1 1 13 11 48 o 19.2959 5.26205 2.74397      2.14845  2.69083      2.27919  16.2583     282.38      2.31258     282.38      
1 1 1 13 11 49 o 16.9663 5.04772 2.64216      2.26545  0.440415     2.37774  11.1017     108.885     3.39349     288.885     
1 1 1 13 11 50 o 25.0234 5.50939 3.25657      2.75204  7.19063      2.45637  16.9177     251.881     8.63253     71.881      
1 1 1 13 11 51 o 14.0928 4.56113 0.503574     2.29716  -0.129005    2.15018  6.7913      105.402     0.335256    105.402     
1 1 1 13 11 52 o 18.8296 5.42562 2.32426      2.47777  3.52397      2.51262  10.5206     26.7929     3.57857     26.7929     
1 1 1 13 11 53 o 17.5824 5.21037 1.591        2.23985  3.16933      2.5231   7.08527     347.213     0.913254    347.213     
1 1 1 13 11 54 o 13.8296 4.57258 -0.287478    2.41557  0.650062     2.43518  5.22634     23.7156     2.81068     203.716     
1 1 1 13 11 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 12 0  o 49.7282 3.98625 14.0157      2.95145  14.0157      2.95145  15.557      90.0001     6.42198     90.0001     
1 1 1 13 12 1  o 150.312 2.36302 121.936      5.24475  124.656      5.68968  112.443     322.855     63.495      142.855     
1 1 1 13 12 2  o 333.903 2.05113 606.917      10.1807  609.184      10.9009  308.941     285.927     30.9835     105.927     
1 1 1 13 12 3  o 102.904 2.52259 60.8854      4.00931  54.9349      3.96724  115.676     193.757     42.6529     193.757     
1 1 1 13 12 4  o 224.017 2.09367 272.37       6.97598  275.055      7.46277  207.133     22.5766     18.8183     202.577     
1 1 1 13 12 5  o 74.182  2.78401 31.689       3.0184   28.6297      3.29205  80.6809     188.593     39.9496     188.593     
1 1 1 13 12 6  o 282.303 2.13945 426.116      9.2987   443.401      9.29956  294.224     45.8899     41.6187     45.8899     
1 1 1 13 12 7  o 29.3686 5.44934 4.45748      2.48412  5.39964      2.51677  6.59046     298.764     41.8651     298.764     
1 1 1 13 12 8  o 128.864 2.36856 95.9531      4.7117   85.5185      4.67404  120.115     135.499     3.80477     315.499     
1 1 1 13 12 9  o 127.414 2.3828  84.4446      4.66505  92.9994      4.66891  92.9663     337.535     56.3521     157.535     
1 1 1 13 12 10 o 104.561 2.52632 58.6934      4.05927  60.8513      4.06325  110.829     168.143     28.7949     168.143     
1 1 1 13 12 11 o 112.909 2.47215 69.7872      4.29628  69.565       4.2899   87.9965     28.3752     36.6713     208.375     
1 1 1 13 12 12 o 140.433 2.33958 112.1        5.07844  103.318      5.03564  138.081     196.315     9.74463     196.315     
1 1 1 13 12 13 o 70.8231 3.3394  26.3864      3.24818  28.8121      3.98252  46.4218     86.4508     34.9178     266.451     
1 1 1 13 12 14 o 66.3296 3.14488 22.2791      3.17315  26.173       3.19935  50.3955     204.176     16.9802     24.1765     
1 1 1 13 12 15 o 81.6733 3.13536 37.8318      3.94597  35.4421      3.90886  50.2642     172.195     51.377      352.195     
1 1 1 13 12 16 o 114.854 2.76194 67.8913      4.87155  76.7304      4.86972  80.6445     352.6       56.9522     172.6       
1 1 1 13 12 17 o 126.215 2.66365 86.1898      5.15642  88.2622      5.18575  130.43      60.7482     21.2754     60.7482     
1 1 1 13 12 18 o 72.7907 2.9971  26.8853      3.33393  31.472       3.33967  49.6893     159.736     35.4106     339.737     
1 1 1 13 12 19 f 128.592 2.49799 88.3154      4.72935  92.809       5.15327  144.429     87.0278     0           0           
1 1 1 13 12 20 o 22.7657 5.87792 4.141        2.96259  -0.112853    2.79298  11.2516     216.295     50.1576     216.295     
1 1 1 13 12 21 o 63.584  3.20325 21.3076      2.87985  23.4047      3.3505   54.5858     28.5827     4.45441     208.583     
1 1 1 13 12 22 o 82.3629 2.61734 38.1182      3.31885  36.4599      3.30238  81.8146     233.19      12.0398     233.19      
1 1 1 13 12 23 o 83.7037 2.63735 37.8969      3.27274  39.1924      3.50803  85.4032     73.2982     16.1759     73.2982     
1 1 1 13 12 24 o 73.3084 2.68661 28.6718      3.00161  30.5853      3.04207  86.3033     253.308     40.2122     253.308     
1 1 1 13 12 25 o 40.0155 4.24168 11.4997      2.68693  7.04229      2.33723  23.2648     13.0159     22.5811     193.016     
1 1 1 13 12 26 o 21.0021 4.97065 -0.884468    2.38906  4.15566      2.11504  3.63945     303.383     14.115      123.383     
1 1 1 13 12 27 o 17.9794 5.16085 1.58004      2.53551  0.295343     1.92678  1.42952     213.755     25.4123     213.755     
1 1 1 13 12 28 o 23.9609 5.02088 4.49978      2.20886  2.27558      1.83486  15.4032     179.664     1.46534     179.664     
1 1 1 13 12 29 o 15.7319 4.47224 1.47051      1.74726  -0.275758    1.68141  1.40487     314.589     11.7253     134.589     
1 1 1 13 12 30 o 21.6242 4.90361 3.26511      1.87545  2.05299      1.87329  10.4546     286.792     10.2717     106.792     
1 1 1 13 12 31 o 35.8593 4.0675  7.50356      2.12071  7.4813       2.21814  32.8265     192.73      3.3687      192.73      
1 1 1 13 12 32 o 49.0003 3.13389 12.5035      2.26519  14.6999      2.41036  33.6588     317.696     22.79       137.696     
1 1 1 13 12 33 o 53.568  3.04499 16.7565      2.41271  15.6582      2.55753  51.7687     161.655     5.36662     161.655     
1 1 1 13 12 34 o 26.0446 4.65133 5.7776       1.92499  2.47671      1.98788  19.8639     253.629     3.54569     73.6289     
1 1 1 13 12 35 o 41.8588 3.65341 9.32364      2.20064  11.0601      2.40921  51.0681     7.82405     27.576      7.82405     
1 1 1 13 12 36 o 40.1839 3.69927 7.87824      2.18535  11.165       2.22196  34.4412     221.05      4.10986     41.05       
1 1 1 13 12 37 o 45.3075 3.37235 11.3026      2.3156   12.5401      2.31289  47.4554     168.324     13.0632     168.324     
1 1 1 13 12 38 o 18.8701 4.98768 1.84006      1.99113  1.98931      1.91131  9.52283     108.445     8.20529     288.445     
1 1 1 13 12 39 o 43.9143 3.47755 11.7388      2.32293  10.9214      2.29758  51.5327     102.593     25.5976     102.593     
1 1 1 13 12 40 o 23.9093 5.11012 1.23967      2.35785  5.77936      2.24903  17.6619     197.897     2.52802     17.8972     
1 1 1 13 12 41 f 21.6159 5.38371 4.30878      2.37301  1.52116      2.29261  10.1466     68.1791     0           0           
1 1 1 13 12 42 o 28.5046 5.27094 5.35875      2.24366  5.85896      2.43575  29.5093     102.086     12.7529     102.086     
1 1 1 13 12 43 o 26.5346 5.41503 5.59642      2.25833  4.46956      2.46762  21.4613     186.412     2.25015     6.41155     
1 1 1 13 12 44 o 14.6102 4.72198 0.117311     2.36232  -1.05392     2.41536  6.59795     85.3058     0.349556    85.3058     
1 1 1 13 12 45 o 15.3125 4.64498 1.72959      2.05306  -0.671158    2.02504  7.74649     134.771     2.57432     314.771     
1 1 1 13 12 46 o 18.227  5.18882 2.45127      2.21245  1.67278      2.28509  13.4175     187.091     1.43233     187.091     
1 1 1 13 12 47 o 28.7805 5.5796  6.44949      2.538    6.55614      2.55459  25.4287     278.857     1.15376     278.857     
1 1 1 13 12 48 o 21.6865 5.79004 3.84903      2.739    4.09113      2.55896  6.18464     254.25      24.6372     74.2496     
1 1 1 13 12 49 o 17.6499 5.16773 1.85671      2.21433  2.42427      2.37442  12.3798     261.603     1.08285     81.603      
1 1 1 13 12 50 o 18.8166 5.33034 1.18455      2.45106  4.20915      2.47788  15.2623     157.064     5.2868      157.064     
1 1 1 13 12 51 o 14.8496 4.74183 -1.19591     2.27979  2.04563      2.45976  6.21989     326.466     2.34186     146.466     
1 1 1 13 12 52 o 14.9222 4.80994 0.825592     2.38769  0.383361     2.50618  4.02593     141.188     4.94174     321.188     
1 1 1 13 12 53 o 26.7428 5.87161 7.43475      2.44386  6.62985      3.13886  24.6509     49.7454     7.24485     49.7454     
1 1 1 13 12 54 o 14.3811 4.63932 1.18274      2.26037  0.531378     2.30762  8.0104      219.865     0.454792    219.865     
1 1 1 13 13 0  o 24.1036 7.10974 4.49052      2.63783  4.49052      2.63783  5.37819     270         19.8326     270         
1 1 1 13 13 1  o 99.046  2.67677 56.7991      3.91337  50.6078      4.20378  69.4051     94.2708     45.8732     274.271     
1 1 1 13 13 2  o 57.6917 3.17399 17.4309      2.71998  19.2139      2.87551  46.3722     145.03      20.3108     145.03      
1 1 1 13 13 3  o 142.207 2.38554 123.013      4.79028  98.5115      5.49916  137.057     38.9659     4.73529     38.9657     
1 1 1 13 13 4  o 226.25  2.10867 277.355      7.09337  281.174      7.5944   247.925     3.67884     61.6614     3.67884     
1 1 1 13 13 5  o 23.1461 5.68287 2.32893      2.39798  3.007        2.56034  10.3856     160.447     33.8446     160.447     
1 1 1 13 13 6  o 35.2092 4.98414 5.45872      2.61663  8.80457      2.59165  3.53979     132.633     32.5223     312.633     
1 1 1 13 13 7  o 106.795 2.52231 67.1962      4.17653  57.6969      4.09532  86.2539     77.4306     26.8304     257.431     
1 1 1 13 13 8  o 82.5586 2.78263 35.1874      3.50483  39.5493      3.54273  64.6288     53.5209     20.8813     233.521     
1 1 1 13 13 9  o 78.1512 2.82248 28.0501      3.45755  39.3763      3.18297  67.9573     226.491     4.29226     46.4906     
1 1 1 13 13 10 o 104.234 2.32808 61.5423      3.74137  57.2556      3.71986  109.03      68.7085     25.2544     68.7085     
1 1 1 13 13 11 o 69.3484 2.75705 27.4843      2.93938  25.2868      2.92202  50.3511     86.2439     23.8741     266.244     
1 1 1 13 13 12 o 61.4445 2.96808 22.3344      2.79926  19.2325      2.77292  45.1041     192.703     18.0463     12.7028     
1 1 1 13 13 13 o 57.1867 3.33338 17.5711      2.91122  18.5282      2.90558  58.1405     256.114     26.6436     256.114     
1 1 1 13 13 14 o 41.3214 4.19527 10.5808      2.60278  8.6457       2.56398  28.2319     292.735     4.53354     112.735     
1 1 1 13 13 15 o 63.8884 3.44821 25.9461      3.077    19.3651      3.51031  56.9205     42.6146     0.379546    222.614     
1 1 1 13 13 16 o 14.8007 4.56971 -2.51844     2.10459  0.678828     2.07243  19.7897     279.672     51.1837     279.672     
1 1 1 13 13 17 o 22.1213 5.05339 1.83296      2.01613  3.36621      1.9873   5.04186     52.0299     29.335      52.0299     
1 1 1 13 13 18 o 142.856 2.21982 112.113      4.72867  111.099      5.03149  152.901     328.439     35.5395     328.439     
1 1 1 13 13 19 o 67.2493 3.18343 23.313       3.38311  26.7013      3.1363   67.695      259.875     16.5415     259.875     
1 1 1 13 13 20 o 28.5619 5.58504 4.19041      2.54771  5.27696      2.54996  3.95398     354.586     28.7743     174.586     
1 1 1 13 13 21 o 61.3231 3.16441 20.8615      2.95399  20.7918      2.98109  39.9343     134.884     31.4593     314.884     
1 1 1 13 13 22 o 56.9402 3.49122 19.7649      3.02401  16.4385      3.01585  64.9082     34.4453     34.3121     34.4453     
1 1 1 13 13 23 o 73.0233 3.16303 31.9547      3.71904  27.2737      3.36288  81.0092     246.611     29.072      246.611     
1 1 1 13 13 24 o 19.0809 5.04495 0.92578      1.75149  2.35604      2.26302  11.4878     29.5757     50.2755     29.5757     
1 1 1 13 13 25 o 32.6261 4.53106 6.90919      2.18695  5.52969      2.19938  26.1906     150.787     1.51154     150.787     
1 1 1 13 13 26 o 19.4829 4.80628 -0.531899    2.01812  3.50604      2.01995  5.71938     274.973     11.8133     94.9725     
1 1 1 13 13 27 o 59.05   3.07154 20.7431      2.75833  18.2882      2.7776   63.2951     106.467     18.3212     106.467     
1 1 1 13 13 28 o 23.9983 4.75704 1.94442      1.91035  4.79644      1.93595  3.48219     233.455     33.4219     53.4551     
1 1 1 13 13 29 o 66.4946 3.02814 24.0611      3.39428  25.4895      2.70418  48.6643     163.361     26.37       343.361     
1 1 1 13 13 30 o 17.0744 4.84832 1.52208      2.10082  0.415327     1.81089  3.60717     227.639     13.1573     47.639      
1 1 1 13 13 31 o 106.948 2.45821 65.1934      4.18847  61.9356      3.89768  92.0684     168.418     16.214      348.418     
1 1 1 13 13 32 o 32.0593 4.33457 6.8458       2.02142  5.423        2.09176  9.86066     283.9       37.5647     103.9       
1 1 1 13 13 33 o 24.1746 4.50361 1.09133      1.82763  5.91866      1.99316  14.582      95.6196     11.318      275.62      
1 1 1 13 13 34 o 61.2341 2.83234 25.09        2.62175  17.554       2.61875  46.7941     165.144     19.91       345.144     
1 1 1 13 13 35 o 32.7352 4.27607 6.43267      2.07687  6.52256      2.07534  34.307      173.057     12.0017     173.057     
1 1 1 13 13 36 o 29.9112 4.56727 5.42869      2.03073  5.65787      2.05351  20.729      237.832     10.6732     57.832      
1 1 1 13 13 37 o 17.7809 4.92465 1.52379      1.89317  1.43092      2.03118  8.1616      137.324     0.480703    317.324     
1 1 1 13 13 38 o 40.3768 4.05968 12.245       2.27061  7.63066      2.44666  45.6883     346.381     21.2196     346.381     
1 1 1 13 13 39 o 56.7354 3.28594 20.474       2.83672  17.2074      2.8342   53.1592     214.825     3.28185     214.825     
1 1 1 13 13 40 o 18.9921 5.16541 3.01727      2.22727  0.746211     2.18678  10.5121     248.318     6.5079      68.318      
1 1 1 13 13 41 o 16.3483 4.76338 2.14004      2.02859  -0.560082    2.07491  8.33017     262.265     4.22561     82.2653     
1 1 1 13 13 42 o 18.1991 5.12977 2.22289      2.17134  1.44309      2.17396  9.92031     318.721     8.64495     138.721     
1 1 1 13 13 43 o 14.633  4.67738 1.30323      2.49603  -2.10587     2.0976   7.52566     116.913     3.00296     296.913     
1 1 1 13 13 44 o 19.8077 5.23106 4.31797      2.34895  0.410169     2.36681  15.5396     312.776     4.14668     312.776     
1 1 1 13 13 45 o 20.2344 4.9986  5.09954      2.27944  0.0280361    2.17437  17.103      210.164     4.83787     210.164     
1 1 1 13 13 46 o 16.0038 4.78957 2.14524      2.07979  -0.126718    2.16238  10.5067     20.2875     2.80665     200.287     
1 1 1 13 13 47 o 19.3613 5.14292 1.15878      2.19154  4.16893      2.23228  15.5412     333.104     1.09224     333.104     
1 1 1 13 13 48 o 34.3761 5.0436  11.1232      2.65912  6.83565      2.53035  33.3596     315.49      7.26665     315.491     
1 1 1 13 13 49 o 24.4675 6.41023 5.78869      3.1351   6.46999      3.28006  22.8109     232.63      7.38829     232.63      
1 1 1 13 13 50 o 40.0621 4.76903 13.5392      2.72614  10.2906      2.86666  37.9336     226.731     6.34922     226.731     
1 1 1 13 13 51 o 13.4948 4.37637 1.4783       2.14247  -2.94347     2.3169   1.65067     208.131     3.09324     28.1306     
1 1 1 13 13 52 o 27.2533 5.97874 6.83612      2.81319  7.55079      2.74646  26.7935     340.911     12.9867     340.911     
1 1 1 13 13 53 o 13.7049 4.51716 -1.153       2.23866  1.51417      2.45741  5.91126     94.9762     0.504991    274.976     
1 1 1 13 13 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 14 0  o 113.895 2.96384 71.0727      5.18217  71.0727      5.18217  111.505     90          3.40073     90          
1 1 1 13 14 1  o 132.045 2.46377 88.7671      4.78277  102.055      5.23086  140.873     190.681     34.1804     190.681     
1 1 1 13 14 2  o 80.4459 2.68795 32.969       3.1834   38.0112      3.45854  85.5502     116.26      29.8914     116.26      
1 1 1 13 14 3  o 62.7769 3.1074  23.4633      2.86841  19.9468      3.06446  58.826      351.302     14.8503     351.302     
1 1 1 13 14 4  o 64.5984 3.17039 22.1009      3.12098  23.813       3.14463  56.0496     111.841     1.54204     111.841     
1 1 1 13 14 5  o 78.0536 2.8802  30.5812      3.4275   36.3589      3.45411  78.3456     241.61      18.2889     241.61      
1 1 1 13 14 6  o 18.5536 5.31825 1.22938      2.3683   0.309035     2.39048  24.4838     156.408     65.9911     156.408     
1 1 1 13 14 7  o 71.6931 2.90554 27.0856      3.32599  29.356       3.0393   61.6055     165.79      4.87866     345.79      
1 1 1 13 14 8  o 151.78  2.22491 118.715      5.01289  133.077      5.38942  135.528     110.217     17.093      290.217     
1 1 1 13 14 9  o 74.5183 2.67044 29.9559      3.06552  30.936       3.04209  80.1847     36.4129     28.428      36.4129     
1 1 1 13 14 10 f 151.276 2.14504 125.201      5.00028  124.733      4.99339  128.975     188.065     0           0           
1 1 1 13 14 11 o 106.243 2.91126 71.514       4.20142  52.9717      5.05299  114.405     301.285     30.5663     301.285     
1 1 1 13 14 12 o 215.391 2.26981 253.929      7.24197  253.129      7.80346  219.645     193.489     28.2871     193.489     
1 1 1 13 14 13 o 69.6392 3.165   29.7427      3.6202   23.8502      3.13702  70.4726     311.879     16.8734     311.879     
1 1 1 13 14 14 o 155.636 2.28465 139.561      5.50896  125.516      5.43403  168.108     116.896     41.76       116.896     
1 1 1 13 14 15 o 53.102  3.12627 14.7733      2.53813  16.4291      2.52105  50.5747     350.674     14.7031     350.674     
1 1 1 13 14 16 o 35.6043 4.05524 7.21624      2.15183  7.1423       2.14385  18.3723     68.8759     8.85332     248.876     
1 1 1 13 14 17 o 185.303 2.18174 190.781      6.23324  184.995      6.21687  200.398     318.802     49.7792     318.802     
1 1 1 13 14 18 o 75.9878 2.71064 32.3418      3.18005  31.2197      3.14286  82.9886     93.9762     29.528      93.9762     
1 1 1 13 14 19 o 73.7323 2.99364 30.8289      3.82867  29.2229      2.89476  63.9487     81.1179     6.82923     261.118     
1 1 1 13 14 20 o 92.5823 2.56683 53.5154      4.00108  41.1928      3.31429  76.3877     51.3747     19.7772     231.375     
1 1 1 13 14 21 o 87.7344 2.37816 44.0183      3.21531  40.6578      3.19547  78.452      58.0843     6.20339     238.084     
1 1 1 13 14 22 o 44.0355 3.40711 11.5358      2.27403  10.2434      2.26416  41.2856     223.022     8.08078     223.022     
1 1 1 13 14 23 o 23.3686 5.21654 3.23493      2.30228  2.98656      1.90055  8.70347     350.458     4.34413     170.458     
1 1 1 13 14 24 o 46.6277 4.11691 14.6583      3.07008  10.3568      2.6941   29.7079     243.964     25.2117     63.9638     
1 1 1 13 14 25 o 24.7514 5.98476 3.94308      2.67915  2.84995      2.85172  15.9085     10.8663     2.0317      10.8663     
1 1 1 13 14 26 o 21.4576 5.62661 1.4685       2.44232  2.96578      2.55749  4.13978     30.1969     0.621645    30.1969     
1 1 1 13 14 27 o 63.1822 2.86481 20.9909      2.60977  23.6353      2.93776  60.0926     355.993     3.82837     355.993     
1 1 1 13 14 28 o 108.169 2.27733 62.4162      3.66467  67.06        3.9147   92.5441     7.44932     17.3162     187.449     
1 1 1 13 14 29 o 27.7829 4.8345  4.12154      2.08815  5.2362       2.03693  15.2702     320.097     16.356      140.097     
1 1 1 13 14 30 o 13.8511 4.30053 0.281674     1.77401  -0.992095    1.8083   0.502106    187.085     14.8011     187.085     
1 1 1 13 14 31 o 36.8727 4.14993 8.27334      2.32865  7.74648      2.22662  16.7482     355.275     32.9437     175.275     
1 1 1 13 14 32 o 22.7988 4.79205 1.70288      1.88067  4.48014      1.93573  19.3424     28.6986     5.74901     28.6986     
1 1 1 13 14 33 o 31.3878 4.62663 4.99734      2.27219  7.08662      2.05173  25.8129     53.4374     3.6692      233.437     
1 1 1 13 14 34 o 33.7963 4.49412 5.27321      2.32923  8.82818      2.10749  17.4809     309.316     25.5412     129.316     
1 1 1 13 14 35 f 29.6948 4.65777 3.82343      2.15657  7.31555      2.06099  38.8788     16.8475     0           0           
1 1 1 13 14 36 o 18.1908 4.79711 0.434153     1.89061  2.73631      1.9068   4.87149     271.623     18.1291     91.6227     
1 1 1 13 14 37 o 21.8009 5.09266 3.01005      1.95441  2.94365      2.01959  12.7797     66.0959     8.23527     246.096     
1 1 1 13 14 38 o 31.2108 5.0819  7.01028      2.41902  5.73681      2.37379  28.5072     293.826     4.57399     293.826     
1 1 1 13 14 39 o 21.0804 5.33424 1.22107      2.23143  4.22935      2.38531  13.7852     239.452     4.34311     59.4523     
1 1 1 13 14 40 o 22.8668 5.33701 4.32238      2.24082  2.86517      2.17785  18.6337     232.885     1.73125     232.885     
1 1 1 13 14 41 o 17.0846 5.01989 -0.412967    2.34832  2.41942      2.24403  10.9916     174.051     1.81785     354.051     
1 1 1 13 14 42 o 18.8029 5.24286 1.71622      2.28665  2.54218      2.21505  11.9189     166.79      5.34586     346.79      
1 1 1 13 14 43 o 27.7038 5.84001 5.5343       2.49359  6.34976      2.86497  26.226      100.794     7.23924     100.794     
1 1 1 13 14 44 o 15.9639 4.89557 0.645619     2.0917   1.20886      2.3555   7.09874     254.659     2.06404     254.659     
1 1 1 13 14 45 o 16.2161 4.87508 0.635505     2.10528  1.82145      2.1807   10.9341     72.9256     2.01251     252.926     
1 1 1 13 14 46 o 15.2416 4.76159 1.32794      2.10586  -0.122204    2.37732  8.85211     78.3047     2.80672     78.3047     
1 1 1 13 14 47 o 17.0089 4.9976  0.753042     2.20922  2.7277       2.21728  11.6535     75.6701     0.5691      255.67      
1 1 1 13 14 48 o 18.0431 4.96043 4.25271      2.22222  -0.295099    2.28982  12.6249     17.2681     6.30568     17.2681     
1 1 1 13 14 49 o 16.9013 5.15988 1.63927      2.58417  2.05487      2.34198  10.2279     335.628     0.744051    155.628     
1 1 1 13 14 50 o 14.7187 4.78301 0.199137     2.45588  0.545744     2.50556  3.90132     292.246     5.31705     112.246     
1 1 1 13 14 51 o 15.14   4.83487 0.00795232   2.26281  1.89946      2.54408  5.73707     33.6275     4.51489     213.627     
1 1 1 13 14 52 o 13.5086 4.49694 0.520069     2.44105  -0.550894    2.38711  5.60011     189.094     2.46816     9.09399     
1 1 1 13 14 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 15 0  o 65.8749 3.51973 24.121       3.5224   24.121       3.5224   63.3756     270         0.703751    270         
1 1 1 13 15 1  o 24.1409 6.03416 2.56961      2.49115  3.18601      3.10554  3.65809     213.843     28.8034     213.843     
1 1 1 13 15 2  f 120.554 2.44801 78.7965      4.16341  80.2092      4.89237  93.7541     70.6783     0           0           
1 1 1 13 15 3  f 84.2434 2.65325 40.5729      3.30986  37.2525      3.53778  80.5901     9.42136     0           0           
1 1 1 13 15 4  o 42.5085 4.28395 11.01        2.71454  9.32825      2.71796  25.2828     246.839     17.8237     66.8387     
1 1 1 13 15 5  o 143.792 2.33573 113.181      5.18226  112.802      5.16146  135.037     254.515     1.60561     74.5154     
1 1 1 13 15 6  o 24.2949 5.47453 4.70115      2.42105  1.33656      2.49565  2.08196     340.021     27.5862     340.021     
1 1 1 13 15 7  o 99.2386 2.59966 52.6454      3.63658  55.2823      4.28217  93.0925     186.971     1.76606     186.971     
1 1 1 13 15 8  o 46.0966 3.82957 13.7468      2.57773  10.0994      2.67408  37.7443     155.049     4.14391     155.049     
1 1 1 13 15 9  o 30.8188 5.23653 5.83861      2.4761   5.14503      2.43564  5.80817     7.04991     30.4085     187.05      
1 1 1 13 15 10 o 55.3116 3.36637 16.2541      2.83529  17.6273      2.83959  23.2545     173.688     52.3506     353.689     
1 1 1 13 15 11 o 92.9306 2.82662 41.3727      3.72199  53.9111      4.35488  103.259     241.474     36.7326     241.474     
1 1 1 13 15 12 o 156.294 2.26377 134.157      5.46532  133.101      5.43139  155.729     296.758     16.9166     296.758     
1 1 1 13 15 13 o 64.012  2.9486  21.9924      3.04316  23.2021      2.71681  68.5703     176.837     28.3755     176.837     
1 1 1 13 15 14 o 61.6439 2.83605 20.6578      2.69589  21.2456      2.65794  52.5963     251.752     3.18348     71.7523     
1 1 1 13 15 15 o 96.8429 2.73268 55.5102      4.50427  47.7846      3.63046  92.2687     136.1       5.52914     136.1       
1 1 1 13 15 16 o 136.901 2.51123 108.421      5.82063  97.4477      4.75243  137.128     302.696     17.4957     302.696     
1 1 1 13 15 17 o 87.3705 2.52362 43.6334      3.40419  40.3448      3.36939  54.1381     356.881     54.1033     176.881     
1 1 1 13 15 18 o 38.3397 3.7321  8.39751      2.13555  8.2119       2.15385  17.5765     80.4061     29.6611     260.406     
1 1 1 13 15 19 o 71.6409 2.61923 28.7998      2.81326  27.8351      2.94159  53.75       28.8736     24.2811     208.874     
1 1 1 13 15 20 o 79.5195 2.44453 35.4207      2.99078  34.2701      2.98116  88.1606     57.1487     30.51       57.1487     
1 1 1 13 15 21 o 27.9351 4.76781 5.48797      2.14687  3.76171      1.9306   11.8936     150.741     20.7904     330.741     
1 1 1 13 15 22 o 38.5711 3.69872 9.28107      2.1243   7.68755      2.13614  36.8428     13.2001     7.92955     13.2001     
1 1 1 13 15 23 o 26.4907 4.80669 4.77152      2.05864  3.58995      1.89609  17.486      47.0113     6.36607     227.011     
1 1 1 13 15 24 o 119.242 2.41656 77.1866      4.59928  79.983       4.25123  122.29      101.84      21.6535     101.84      
1 1 1 13 15 25 o 28.132  5.05301 3.96562      2.29281  5.55036      2.13819  17.392      164.589     11.5891     344.589     
1 1 1 13 15 26 o 100.59  2.60981 61.8139      4.44549  50.9221      3.63483  99.3709     168.772     11.6313     168.772     
1 1 1 13 15 27 o 49.7737 3.58021 12.4885      2.68486  15.9073      2.68848  38.4481     234.792     13.437      54.7925     
1 1 1 13 15 28 o 47.2286 3.84521 15.8176      2.77686  10.2092      2.62177  40.7451     183.322     3.52111     3.32166     
1 1 1 13 15 29 o 28.7237 5.08496 5.1532       2.04093  4.96443      2.45797  14.718      172.821     19.8453     352.821     
1 1 1 13 15 30 f 36.4319 4.02082 7.86935      2.16195  7.74501      2.20149  39.0988     230.215     0           0           
1 1 1 13 15 31 o 83.1601 2.77907 38.8376      3.12682  38.9727      3.92046  80.4757     203.888     7.33005     203.888     
1 1 1 13 15 32 f 71.0884 2.77659 29.9019      3.02633  27.2286      3.02355  67.7928     213.361     0           0           
1 1 1 13 15 33 f 21.4903 4.95846 1.65042      1.98268  3.814        1.95195  12.7031     182.951     0           0           
1 1 1 13 15 34 o 21.8636 5.13948 3.2614       1.918    2.60163      2.16627  10.6124     66.865      13.7815     246.865     
1 1 1 13 15 35 o 45.7578 3.40956 12.2293      2.35372  12.2651      2.37897  34.673      147.173     12.8157     327.173     
1 1 1 13 15 36 o 33.6692 4.32086 7.35224      2.14814  6.64855      2.16434  21.4366     139.421     15.952      319.421     
1 1 1 13 15 37 o 37.732  4.57441 9.16529      2.61724  8.79394      2.50745  34.4487     211.359     3.15755     211.359     
1 1 1 13 15 38 o 21.6482 5.36318 4.07211      2.37857  2.09125      2.10852  2.99086     276.757     30.3122     96.7569     
1 1 1 13 15 39 o 27.9816 5.37068 4.72667      2.65302  6.21419      2.20117  12.1144     275.54      24.2944     95.5396     
1 1 1 13 15 40 o 23.6877 4.95893 0.512348     2.31536  6.80581      2.36058  17.4408     266.208     4.6723      86.2081     
1 1 1 13 15 41 o 21.3636 5.25219 2.06864      2.23488  4.1976       2.16266  9.96719     176.225     15.5863     356.225     
1 1 1 13 15 42 o 19.1129 5.33319 0.251484     2.34904  4.02134      2.57297  12.3295     18.2396     5.05625     18.2396     
1 1 1 13 15 43 o 17.0977 5.16907 0.333664     2.09865  2.56569      2.72832  11.3549     183.258     1.00643     183.258     
1 1 1 13 15 44 o 23.8897 5.19359 6.62298      2.33793  1.99048      2.38509  24.6111     108.852     11.1371     108.852     
1 1 1 13 15 45 o 13.509  4.41259 -1.32961     2.08127  0.444681     2.24296  6.51647     174.032     4.64008     354.032     
1 1 1 13 15 46 o 15.0939 4.7502  0.633817     2.13978  0.826874     2.30642  4.46101     316.12      14.0807     136.12      
1 1 1 13 15 47 o 18.3565 5.29146 3.09813      2.269    1.98138      2.53673  13.7337     222.1       1.45485     222.1       
1 1 1 13 15 48 o 25.1464 5.719   4.41247      2.434    6.97909      2.67794  24.1512     108.302     10.4527     108.302     
1 1 1 13 15 49 o 14.3664 4.61205 1.52167      2.2575   -1.22384     2.33099  1.33789     257.741     1.01812     77.7413     
1 1 1 13 15 50 o 16.8131 5.11095 1.7725       2.33633  2.31145      2.43537  7.10139     325.462     8.32968     145.462     
1 1 1 13 15 51 o 19.4496 5.5824  3.85132      2.60847  4.02687      2.61349  14.6313     22.6259     2.07376     22.6259     
1 1 1 13 15 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 16 0  o 127.662 2.63083 89.2133      5.16188  89.2133      5.16188  127.505     90          12.1768     90          
1 1 1 13 16 1  o 109.111 2.62576 66.6617      4.18268  63.8864      4.60656  90.9273     162.658     21.2577     342.658     
1 1 1 13 16 2  o 58.7208 3.32749 17.1582      2.72152  21.0786      3.2532   42.0836     55.3504     19.0663     235.35      
1 1 1 13 16 3  o 126.759 2.50117 84.3908      4.64289  91.7227      5.11371  129.917     332.785     23.4431     332.785     
1 1 1 13 16 4  o 217.914 2.30361 250.324      8.01161  269.322      7.4063   218.81      335.648     25.8649     335.648     
1 1 1 13 16 5  o 110.617 2.392   62.4298      4.20358  71.7729      3.89221  116.35      52.6015     28.1028     52.6015     
1 1 1 13 16 6  o 97.0567 2.46263 56.4851      3.85007  47.0079      3.49964  51.8383     14.1023     76.867      194.102     
1 1 1 13 16 7  o 133.653 2.43309 97.1638      4.82019  98.5102      5.18567  138.441     107.32      27.5216     107.32      
1 1 1 13 16 8  o 171.259 2.24845 158.1        5.94467  162.878      5.91305  202.159     210.88      83.3689     210.88      
1 1 1 13 16 9  f 120.948 2.4678  82.0686      4.46225  78.3691      4.70932  115.332     272.877     0           0           
1 1 1 13 16 10 o 159.701 2.24762 133.534      5.53164  145.831      5.51424  186.8       199.274     74.9567     199.274     
1 1 1 13 16 11 o 122.744 2.51404 85.7059      5.35506  79.7184      4.09328  137.948     46.3681     48.3144     46.3681     
1 1 1 13 16 12 o 17.7783 5.06185 0.469045     2.34794  1.17063      1.94048  3.4309      42.1911     12.7715     42.1911     
1 1 1 13 16 13 o 33.5584 4.4156  4.58637      2.16903  8.59638      2.17895  7.3579      57.2564     39.0392     237.256     
1 1 1 13 16 14 o 95.6915 2.46042 49.2157      3.62852  51.4424      3.60862  97.0632     326.57      17.874      326.57      
1 1 1 13 16 15 o 38.6975 3.77955 8.86076      2.19751  8.08235      2.18311  32.4997     359.447     10.6986     359.447     
1 1 1 13 16 16 o 78.905  2.50373 37.3678      2.95487  31.3519      3.08232  58.7607     324.814     27.8489     144.814     
1 1 1 13 16 17 o 40.7137 3.54956 9.33233      2.09512  9.35863      2.25766  32.9351     22.0825     2.46362     202.083     
1 1 1 13 16 18 o 14.273  4.23705 0.643733     1.56078  -0.322365    1.63073  4.51602     77.6583     18.4389     77.6583     
1 1 1 13 16 19 o 22.1465 4.70231 3.18104      1.75193  2.46866      1.72637  3.08263     28.1696     27.2544     208.17      
1 1 1 13 16 20 o 56.4446 3.08415 14.8038      2.74433  21.0581      2.43098  54.1583     213.435     5.86605     213.435     
1 1 1 13 16 21 o 52.138  3.09101 14.3003      2.4712   16.1858      2.4353   39.9047     315.636     14.9447     135.636     
1 1 1 13 16 22 o 36.0425 3.98066 7.52108      2.17358  7.48487      2.1001   17.0684     14.5775     29.6965     194.578     
1 1 1 13 16 23 o 40.5487 3.70848 9.7468       2.37334  9.08863      2.14929  44.4155     111.001     19.9735     111.001     
1 1 1 13 16 24 o 24.4749 5.12596 2.98728      2.09124  4.16328      2.08322  9.25848     302.706     21.195      122.706     
1 1 1 13 16 25 o 42.4305 3.72433 11.6474      2.24217  9.1316       2.4444   34.9492     50.4247     5.45557     230.425     
1 1 1 13 16 26 o 65.4929 2.6558  25.9857      2.66699  22.0167      2.65344  64.317      25.3076     9.09461     25.3076     
1 1 1 13 16 27 o 77.8602 2.5514  34.4814      3.15878  33.1443      2.94201  79.455      207.38      16.0458     207.38      
1 1 1 13 16 28 o 20.0244 4.87666 2.6427       1.88881  1.85138      1.7697   7.66725     156.703     15.9193     336.703     
1 1 1 13 16 29 o 83.6125 2.67633 46.468       3.6501   32.5711      3.20559  81.2765     69.4574     8.70276     69.4574     
1 1 1 13 16 30 o 32.6767 5.17321 6.11473      2.51783  7.28382      2.56392  23.7802     282.078     9.88048     102.078     
1 1 1 13 16 31 o 52.4031 3.67231 14.1335      2.80656  18.0603      3.02812  46.5547     299.382     1.69421     119.382     
1 1 1 13 16 32 o 22.6074 5.06459 1.45279      1.93071  4.86973      2.26356  17.2304     356.892     1.53055     356.892     
1 1 1 13 16 33 o 29.8588 4.81836 5.58794      2.13815  5.70531      2.19475  19.8577     105.541     11.2636     285.541     
1 1 1 13 16 34 o 17.6282 4.95288 1.3433       2.0164   1.43449      2.00243  5.3413      295.324     14.5898     115.324     
1 1 1 13 16 35 o 18.0388 5.15565 1.14386      2.32243  1.67489      2.13001  8.82469     158.905     3.02419     338.905     
1 1 1 13 16 36 o 18.6502 5.1493  0.23527      2.29448  2.96447      2.22596  8.96319     336.685     8.96887     156.685     
1 1 1 13 16 37 o 16.1636 4.75779 0.945987     1.93153  1.00953      1.98722  7.15167     152.681     6.28037     332.681     
1 1 1 13 16 38 o 28.8144 5.00407 3.90927      2.1957   7.63112      2.34508  23.5593     311.508     1.8011      131.508     
1 1 1 13 16 39 o 29.7974 5.41903 6.35187      2.48965  6.38738      2.5113   20.5732     152.543     10.4294     332.543     
1 1 1 13 16 40 o 26.6163 5.40119 5.27462      2.21836  5.08275      2.4532   23.1526     173.095     2.41099     173.095     
1 1 1 13 16 41 o 19.8771 5.412   4.95428      2.78631  0.249991     2.20322  11.3611     167.842     7.91934     347.842     
1 1 1 13 16 42 o 21.3402 5.80753 2.95506      2.88679  4.02166      2.58063  16.0814     229.117     1.21951     49.1168     
1 1 1 13 16 43 o 17.0748 5.07625 1.65601      2.30742  1.64861      2.22148  10.7184     154.107     4.88878     334.107     
1 1 1 13 16 44 o 23.2859 5.63366 4.64505      2.50212  4.40228      2.35795  21.2131     278.258     5.67718     278.258     
1 1 1 13 16 45 o 13.9734 4.48823 -0.810434    2.10931  0.89093      2.14878  0.980212    95.5426     0.236439    95.5426     
1 1 1 13 16 46 o 16.9349 5.06274 2.15894      2.25247  1.62265      2.30507  6.82529     127.355     12.6108     307.355     
1 1 1 13 16 47 o 14.6161 4.66564 1.19184      2.23112  -0.163326    2.27521  5.06839     282.395     0.615173    102.395     
1 1 1 13 16 48 o 11.4846 3.9331  -3.70223     2.17229  -0.671895    2.16895  0.0612168   158.074     2.57287     338.074     
1 1 1 13 16 49 o 17.0863 5.30825 1.13407      2.34279  3.36722      3.00665  7.14107     269.099     0.749618    269.099     
1 1 1 13 16 50 o 15.0695 4.84453 1.11091      2.37944  1.38052      2.53164  7.53854     100.449     0.0529778   100.449     
1 1 1 13 16 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 17 0  o 153.237 2.49648 128.487      5.88383  128.487      5.88383  168.905     270         48.4991     270         
1 1 1 13 17 1  o 92.4306 2.82506 44.0021      3.68521  50.1246      4.34067  110.765     86.1214     55.5724     86.1214     
1 1 1 13 17 2  o 117.024 2.62114 74.4775      4.70054  75.9388      4.73426  109.937     140.72      3.27153     140.72      
1 1 1 13 17 3  o 40.851  4.40956 7.57493      2.70792  11.5872      2.52954  8.7861      296.844     51.3664     116.844     
1 1 1 13 17 4  o 37.7292 4.94971 5.44863      2.71821  11.3745      2.74749  23.3968     287.04      5.46111     107.04      
1 1 1 13 17 5  o 57.2866 3.23402 17.0808      2.81435  19.3483      2.83608  52.995      120.091     8.19872     120.091     
1 1 1 13 17 6  o 54.9388 3.29212 16.8043      2.78696  16.7178      2.7307   53.8374     181.912     16.1657     181.912     
1 1 1 13 17 7  o 44.1149 4.45606 10.7213      3.24561  11.3889      2.55735  15.4319     72.9627     45.0251     252.963     
1 1 1 13 17 8  o 137.887 2.28697 107.421      4.88001  101.034      4.82986  127.378     159.944     2.05411     339.944     
1 1 1 13 17 9  o 40.3591 3.63947 10.1924      2.21863  8.18494      2.18096  26.5529     46.0095     12.2061     226.01      
1 1 1 13 17 10 o 114.156 2.31584 68.5611      3.8763   74.5773      4.25886  124.009     87.6505     37.2206     87.6505     
1 1 1 13 17 11 o 67.9118 2.75065 25.5998      2.88105  25.3385      2.84797  64.7502     315.673     7.69958     315.673     
1 1 1 13 17 12 o 33.1782 4.41313 5.97889      2.09432  6.75132      2.25097  16.6622     309.318     7.21547     309.318     
1 1 1 13 17 13 o 39.9144 3.74532 7.59816      2.21742  10.5539      2.21373  31.7128     179.661     2.39054     359.661     
1 1 1 13 17 14 o 26.7489 4.6354  3.56886      1.94912  4.82377      1.86315  11.7371     336.357     14.7269     156.357     
1 1 1 13 17 15 o 28.1287 4.37537 3.76843      1.85839  5.52278      1.84369  12.1895     10.3445     20.1572     190.345     
1 1 1 13 17 16 o 54.7884 2.80956 15.5154      2.35234  17.8977      2.34543  63.6967     353.076     31.0717     353.076     
1 1 1 13 17 17 o 66.7271 2.60669 23.7836      2.66398  25.5704      2.66945  61.2779     30.0293     0.490621    30.029      
1 1 1 13 17 18 o 46.5172 3.03    12.6272      2.18644  11.6352      2.1054   57.077      263.872     35.4295     263.872     
1 1 1 13 17 19 o 48.6998 2.99662 14.0616      2.23595  12.5367      2.20893  44.8912     74.3434     2.83808     74.3434     
1 1 1 13 17 20 o 13.9785 4.15114 0.781243     1.56151  -0.468691    1.52312  4.11279     268.244     24.0453     268.244     
1 1 1 13 17 21 o 71.4502 2.7789  28.9549      3.04613  27.9854      3.04461  68.4116     170.342     6.21148     170.342     
1 1 1 13 17 22 o 49.2727 3.09267 14.1325      2.31892  13.2523      2.32309  46.0336     137.103     4.07579     137.103     
1 1 1 13 17 23 o 56.2622 3.21263 15.2982      2.72645  20.6941      2.73881  56.2697     169.349     11.3026     169.349     
1 1 1 13 17 24 o 20.1758 4.84116 0.891396     1.90183  3.3699       1.90368  8.68831     211.526     10.7666     31.5262     
1 1 1 13 17 25 f 20.0155 4.70374 2.89877      1.74496  1.61063      1.70344  32.214      284.085     0           0           
1 1 1 13 17 26 o 18.7261 4.68409 2.46688      1.7314   1.21845      1.70609  5.37684     134.862     17.9543     314.862     
1 1 1 13 17 27 o 45.645  3.41188 12.13        2.4799   11.8257      2.23883  40.808      81.8881     0.34129     261.888     
1 1 1 13 17 28 o 16.3336 4.64692 0.622686     1.77989  1.25822      1.81699  6.95681     278.489     9.38069     98.4887     
1 1 1 13 17 29 o 22.1044 5.01195 2.23586      1.98107  3.68851      1.95583  14.2886     203.733     6.46203     23.7326     
1 1 1 13 17 30 o 18.7569 4.92309 0.985551     1.97232  2.5809       1.92061  10.3466     289.166     0.690609    289.166     
1 1 1 13 17 31 o 12.4144 4.02554 -0.616971    1.76792  -1.21733     1.727    1.60708     87.4451     17.078      87.4451     
1 1 1 13 17 32 o 75.5465 2.91244 38.3424      3.6035   27.397       3.13647  76.5917     265.994     16.6306     265.994     
1 1 1 13 17 33 o 16.2122 4.77696 2.14151      2.14849  -1.9277      2.2234   5.49936     162.162     6.13023     342.162     
1 1 1 13 17 34 o 20.8099 5.7087  3.31711      2.6407   1.53135      2.6865   12.834      9.02674     3.91506     189.027     
1 1 1 13 17 35 o 16.0056 4.86121 0.81418      2.06426  0.370524     2.25761  6.59028     12.4424     3.94102     192.442     
1 1 1 13 17 36 o 15.8281 4.73884 1.30466      1.98117  0.152639     2.0625   7.39535     173.683     4.82291     353.683     
1 1 1 13 17 37 o 27.3366 5.62895 5.77009      2.39526  5.14577      2.66429  16.052      278.71      14.5331     98.7101     
1 1 1 13 17 38 o 20.8279 5.52883 2.75125      2.45531  3.22681      2.36141  17.1332     218.414     3.46427     218.414     
1 1 1 13 17 39 o 15.8849 4.65339 2.6822       2.09963  -2.04861     2.14364  5.7678      183.238     1.35422     183.238     
1 1 1 13 17 40 o 13.7432 4.40569 0.115197     2.00459  -0.50222     2.03437  2.62545     320.08      0.373994    140.08      
1 1 1 13 17 41 o 21.3839 5.57794 4.62917      2.48027  2.34827      2.53838  17.8731     71.156      11.4844     71.156      
1 1 1 13 17 42 o 14.61   4.62483 -0.511627    2.13011  1.08186      2.19822  2.83349     359.646     1.23989     359.646     
1 1 1 13 17 43 o 18.7415 5.23379 1.77622      2.23527  3.35191      2.29421  14.7528     36.8534     2.93013     36.8535     
1 1 1 13 17 44 o 25.1222 5.37019 3.34929      2.39303  7.08056      2.42281  22.3519     319.431     4.24966     319.431     
1 1 1 13 17 45 o 19.615  5.18241 0.638127     2.30437  5.15773      2.3938   15.3252     154.333     1.72087     154.333     
1 1 1 13 17 46 o 21.5442 5.6864  4.12639      2.66381  4.35003      2.42529  16.9543     296.376     6.02804     296.376     
1 1 1 13 17 47 o 33.4655 5.48682 10.1838      2.64009  8.33773      2.94848  33.4235     231.887     13.9563     231.887     
1 1 1 13 17 48 o 16.5078 5.15382 1.88558      2.41067  1.93086      2.7333   6.75668     45.0046     8.41098     225.005     
1 1 1 13 17 49 o 13.0325 4.35481 0.671395     2.30159  -1.52538     2.36788  4.98131     307.074     4.06303     127.074     
1 1 1 13 17 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 18 0  o 89.0311 2.85185 43.6736      3.89151  43.6736      3.89151  86.3265     270         5.88943     270         
1 1 1 13 18 1  o 78.1509 3.01976 35.0988      3.64268  32.5084      3.59536  84.0268     161.717     27.7605     161.717     
1 1 1 13 18 2  o 140.337 2.78488 106.022      6.02688  111.07       5.99431  141.898     66.7681     23.7767     66.7681     
1 1 1 13 18 3  o 62.5011 4.13916 16.6273      4.1005   28.0244      3.1861   50.3812     27.8276     10.6676     207.828     
1 1 1 13 18 4  o 70.7005 2.91038 27.8268      3.28722  27.4804      3.01787  62.6068     355.253     2.12035     175.253     
1 1 1 13 18 5  o 26.8728 5.0364  5.54366      2.18078  2.89907      2.17253  7.64807     214.688     1.54767     34.6876     
1 1 1 13 18 6  o 105.944 2.33723 61.6942      3.96043  61.7024      3.64955  112.519     346.69      30.4598     346.69      
1 1 1 13 18 7  o 81.4034 2.64657 37.138       3.58207  35.9986      3.01796  78.1999     162.212     8.28543     162.212     
1 1 1 13 18 8  o 58.6358 2.96276 17.3176      2.67122  20.9481      2.61752  38.8743     274.532     27.7006     94.532      
1 1 1 13 18 9  o 14.7926 4.4507  0.82026      1.87523  -0.936437    1.76541  9.23165     77.5248     32.9251     77.5248     
1 1 1 13 18 10 o 35.8972 3.95701 7.61583      2.14041  7.13841      2.09133  24.511      41.1958     10.6104     221.196     
1 1 1 13 18 11 o 45.0485 3.31189 10.6479      2.26785  12.1716      2.24858  32.3378     50.0881     14.5901     230.088     
1 1 1 13 18 12 o 73.5408 2.71714 29.7575      3.30755  30.1755      2.79778  47.1168     169.22      40.7045     349.22      
1 1 1 13 18 13 o 63.4825 2.64225 21.2589      2.58547  23.456       2.5505   59.2695     339.916     3.32226     339.916     
1 1 1 13 18 14 o 74.9489 2.5169  28.9955      2.96516  33.2544      2.80264  85.9212     140.583     35.6458     140.583     
1 1 1 13 18 15 o 48.6841 3.06298 11.0492      2.23153  15.7296      2.25378  39.5943     70.369      7.78886     250.369     
1 1 1 13 18 16 o 25.4288 4.4888  3.97052      1.77654  3.70095      1.72839  13.5816     154.536     12.8315     334.536     
1 1 1 13 18 17 o 51.3638 2.90844 14.7782      2.28926  14.7588      2.27313  44.8991     283.997     2.12068     103.997     
1 1 1 13 18 18 o 12.8091 3.89904 0.334259     1.42136  -0.478491    1.3886   2.86155     298.978     16.0051     298.978     
1 1 1 13 18 19 o 40.6946 3.53469 8.00933      2.13484  11.0445      2.14786  24.7958     38.3475     22.4527     218.347     
1 1 1 13 18 20 o 86.2838 2.58024 40.2894      3.40805  42.616       3.43157  68.2397     134.191     21.605      314.191     
1 1 1 13 18 21 o 66.1717 2.77538 23.0781      2.8643   25.9883      2.74906  50.8321     18.9819     18.6185     198.982     
1 1 1 13 18 22 o 15.7449 4.42418 1.42178      1.71218  0.270415     1.53456  2.50918     174.874     11.5227     354.874     
1 1 1 13 18 23 o 20.8928 4.75669 3.77029      1.87216  1.06506      1.84541  9.57067     56.5672     3.27714     56.5672     
1 1 1 13 18 24 o 58.6322 2.98952 22.8394      2.59353  16.2887      2.6834   45.5645     121.227     15.0717     301.227     
1 1 1 13 18 25 o 24.6502 4.64712 2.96641      1.82799  4.47675      1.81298  18.9516     56.2126     2.41504     236.213     
1 1 1 13 18 26 o 43.788  3.39067 12.2018      2.33682  10.0033      2.1571   29.5057     332.113     19.5579     152.113     
1 1 1 13 18 27 o 43.5537 3.53131 10.6543      2.33785  11.4651      2.30826  37.0217     23.3806     3.33684     203.381     
1 1 1 13 18 28 o 23.4241 5.03885 2.15519      2.24282  4.52099      1.94378  15.8977     277.48      4.89137     97.4796     
1 1 1 13 18 29 o 15.861  4.61246 0.787267     1.82851  0.841079     1.79425  1.05994     64.1966     20.5113     244.197     
1 1 1 13 18 30 o 39.596  3.8488  8.56538      2.22351  10.2127      2.33927  26.6401     342.222     16.2426     162.222     
1 1 1 13 18 31 o 27.5426 4.81193 5.68708      2.05372  4.04862      2.03611  18.1402     326.391     9.18244     146.391     
1 1 1 13 18 32 o 15.6172 4.497   2.07285      1.86415  -1.23909     1.87258  1.53567     115.748     26.3544     115.748     
1 1 1 13 18 33 o 36.1565 4.75395 9.29031      2.50113  7.61082      2.58205  26.5014     69.5623     9.56293     249.562     
1 1 1 13 18 34 o 39.414  4.1728  8.37784      2.34158  11.245       2.55054  38.9125     136.302     9.70452     136.302     
1 1 1 13 18 35 o 17.4906 5.02382 2.45725      2.29192  0.525913     2.00584  9.86553     47.9627     5.37753     227.963     
1 1 1 13 18 36 o 25.3466 5.84347 6.04711      2.65227  3.57775      2.76941  15.5529     148.531     11.3963     328.531     
1 1 1 13 18 37 o 24.3693 5.52505 2.45822      2.32998  6.38881      2.63124  8.954       122.821     23.1179     302.822     
1 1 1 13 18 38 o 27.232  5.57353 5.22167      2.41816  6.00176      2.52783  19.2069     117.027     6.62982     297.027     
1 1 1 13 18 39 o 19.874  5.35071 2.14773      2.26057  3.46391      2.32157  12.8032     116.112     5.12861     296.112     
1 1 1 13 18 40 o 18.7762 5.24829 -0.531951    2.51664  4.41288      2.52364  14.1644     300.09      8.44251     300.09      
1 1 1 13 18 41 o 17.4729 5.19646 1.13641      2.22041  2.6417       2.53967  5.76351     110.588     16.3773     290.588     
1 1 1 13 18 42 f 15.2339 4.74155 1.60482      2.15639  -0.146311    2.25176  9.36462     117.153     0           0           
1 1 1 13 18 43 o 17.957  5.19931 2.38322      2.25752  2.33913      2.32082  11.3966     88.2219     3.665       268.222     
1 1 1 13 18 44 f 17.0688 5.01366 3.23161      2.24848  0.259307     2.36412  7.67944     262.764     0           0           
1 1 1 13 18 45 o 13.2991 4.39343 -1.06195     2.17153  0.217146     2.28904  1.97023     65.0913     2.31798     245.091     
1 1 1 13 18 46 o 19.9415 5.09539 5.90979      2.41471  -0.147479    2.4148   12.3778     182.283     0.410709    182.283     
1 1 1 13 18 47 o 14.042  4.56346 -2.1164      2.41616  1.99205      2.35462  4.46109     282.724     2.98633     102.724     
1 1 1 13 18 48 o 14.1545 4.62176 -0.361641    2.32035  1.48702      2.42318  7.16162     339.602     1.4691      159.602     
1 1 1 13 18 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 19 0  f 49.0385 4.37883 13.9317      3.16344  13.9317      3.16344  38.9053     90          0           0           
1 1 1 13 19 1  o 34.5731 5.45386 8.9642       2.85594  5.40184      2.85366  28.0379     53.3603     1.40939     53.3604     
1 1 1 13 19 2  o 86.8423 3.65785 41.4413      4.09814  43.1364      5.54567  70.347      137.536     18.1625     317.536     
1 1 1 13 19 3  f 85.7436 3.16884 40.1213      3.66722  41.7592      4.62886  60.58       119.554     0           0           
1 1 1 13 19 4  o 60.1923 2.96684 22.1096      2.73623  18.317       2.71137  67.2932     288.771     28.0016     288.771     
1 1 1 13 19 5  o 78.4337 2.46599 35.1707      2.95886  32.8067      2.97941  83.4605     67.2052     24.5539     67.2052     
1 1 1 13 19 6  o 30.6722 4.41391 4.05132      1.988    7.10836      2.04651  16.7334     43.0163     17.6243     223.016     
1 1 1 13 19 7  o 34.7441 4.29566 6.0457       2.11737  8.04212      2.30765  14.9298     178.386     30.4694     358.386     
1 1 1 13 19 8  o 101.327 2.37567 56.793       3.71242  56.5375      3.69092  118.426     357.968     51.5221     357.968     
1 1 1 13 19 9  o 41.7717 3.48993 9.78369      2.1985   9.99735      2.20442  32.3681     279.459     8.31869     99.4593     
1 1 1 13 19 10 o 38.2527 3.78012 6.75331      2.17161  10.1632      2.0441   18.2759     111.162     30.692      291.162     
1 1 1 13 19 11 o 104.027 2.20472 63.7777      3.55135  55.7017      3.49533  109.017     248.185     27.4861     248.185     
1 1 1 13 19 12 o 34.8207 4.01687 7.65333      2.15221  6.42275      2.00609  19.492      195.126     21.1101     15.1256     
1 1 1 13 19 13 o 19.9882 4.73453 1.31867      1.90916  2.87197      1.65919  7.20599     153.678     11.3779     333.678     
1 1 1 13 19 14 o 93.5406 2.2799  48.8509      3.37048  47.9013      3.18663  89.2913     342.072     7.73942     342.072     
1 1 1 13 19 15 o 40.0349 3.39708 8.01398      2.02035  10.3184      2.05691  43.0307     213.563     19.0614     213.563     
1 1 1 13 19 16 o 119.163 2.47751 72.4         4.09831  85.5158      4.99029  121.531     68.6677     24.9245     68.6677     
1 1 1 13 19 17 o 22.3209 4.40693 1.86707      1.62165  4.02695      1.64792  12.5543     284.982     6.452       104.982     
1 1 1 13 19 18 o 15.3933 4.19593 0.196535     1.4608   1.53956      1.44415  1.72015     247.38      4.02053     67.3802     
1 1 1 13 19 19 o 20.2796 4.53171 1.37193      1.62982  3.29769      1.66957  1.6749      299.722     28.5997     119.722     
1 1 1 13 19 20 o 16.0017 4.30674 0.40182      1.5098   1.6889       1.5091   2.20619     168.808     27.8844     168.808     
1 1 1 13 19 21 o 18.2231 4.39634 2.72234      1.57816  0.726111     1.54815  9.40363     208.832     2.51965     28.8319     
1 1 1 13 19 22 o 15.6929 4.41384 1.38219      1.64608  0.322926     1.59376  5.03926     37.6944     10.8448     217.694     
1 1 1 13 19 23 o 14.0324 4.08178 -0.609751    1.45809  1.21972      1.51322  2.59856     193.94      14.2013     13.9398     
1 1 1 13 19 24 o 56.9983 2.76518 18.2113      2.46511  18.5604      2.35666  50.8252     18.4933     0.688162    198.493     
1 1 1 13 19 25 o 32.5966 3.98044 6.30296      1.95883  6.43445      1.89138  28.024      168.067     0.511925    168.067     
1 1 1 13 19 26 o 55.6564 2.83113 18.5126      2.45849  16.8112      2.36126  56.3312     29.3925     13.833      29.3925     
1 1 1 13 19 27 o 11.4316 3.74138 -1.41617     1.62953  -0.722899    1.5018   4.08526     233.89      20.8642     233.89      
1 1 1 13 19 28 o 21.2957 4.83652 1.89573      1.83248  3.66843      1.86686  7.82369     332.925     17.9198     152.925     
1 1 1 13 19 29 o 35.8553 4.12766 8.56964      2.21207  7.14201      2.17852  31.1742     210.001     1.41862     210.001     
1 1 1 13 19 30 o 24.5699 4.99999 2.59916      1.94807  5.36347      2.17095  17.3157     285.862     3.86648     105.862     
1 1 1 13 19 31 o 37.3533 4.44593 9.02772      2.45446  8.61064      2.477    34.7007     195.067     5.64578     195.067     
1 1 1 13 19 32 o 22.3149 5.32488 4.31462      2.24277  2.37692      2.20694  9.60301     309.469     16.9255     129.469     
1 1 1 13 19 33 o 31.4012 4.98437 4.79904      2.20789  8.84284      2.56058  35.2806     183.467     20.3291     183.467     
1 1 1 13 19 34 o 43.6378 4.13865 15.1633      2.7365   9.34836      2.56406  35.8674     111.146     4.87666     291.146     
1 1 1 13 19 35 o 20.2728 5.44404 3.61366      2.50052  1.94319      2.22676  11.1653     88.9229     9.63167     268.923     
1 1 1 13 19 36 o 19.9317 5.24841 3.23143      2.16217  2.1967       2.18986  9.8979      63.0229     11.2512     243.023     
1 1 1 13 19 37 o 12.6151 4.19252 -1.98589     2.07653  -0.486508    2.10986  2.93814     290.069     2.34582     110.069     
1 1 1 13 19 38 o 18.6453 5.34294 2.46057      2.5304   2.22706      2.24506  4.33269     200.059     21.6559     20.0592     
1 1 1 13 19 39 o 20.5419 5.70236 1.27768      3.01971  4.81986      2.68373  18.0746     243.973     6.41799     243.973     
1 1 1 13 19 40 o 15.2212 4.90377 -1.56807     2.11281  2.32885      2.91     8.73318     258.4       0.592105    258.4       
1 1 1 13 19 41 o 17.9365 5.2459  2.29523      2.30789  2.24901      2.41585  12.9657     332.002     2.58353     332.002     
1 1 1 13 19 42 o 15.9069 4.92891 0.353613     2.27341  2.10821      2.3913   6.62314     224.75      10.1386     44.7501     
1 1 1 13 19 43 o 15.9917 4.96247 1.27838      2.35102  1.46869      2.34348  8.10403     248.388     0.872622    68.3882     
1 1 1 13 19 44 o 24.2458 5.88908 6.33614      2.76096  4.67867      2.58449  18.134      259.835     1.13801     259.835     
1 1 1 13 19 45 o 12.3698 4.18263 -1.86169     2.27598  -0.593663    2.24481  0.584718    216.321     1.71081     36.3212     
1 1 1 13 19 46 o 15.2524 4.84169 0.321195     2.39308  2.23985      2.40599  6.40689     107.658     0.191264    287.657     
1 1 1 13 19 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 20 0  o 25.8734 6.24284 4.86597      2.23146  4.86597      2.23146  6.72554     90          33.8337     270         
1 1 1 13 20 1  o 16.5291 4.96435 0.834362     2.14405  -0.517801    2.326    1.88817     323.313     10.5219     143.313     
1 1 1 13 20 2  o 28.3351 5.3663  4.38396      2.19084  5.33983      2.58896  11.9987     359.17      22.6211     179.17      
1 1 1 13 20 3  o 18.7646 5.01731 1.56331      2.02643  1.61011      1.94523  4.14809     323.241     15.1242     143.241     
1 1 1 13 20 4  o 59.9138 3.06574 21.3985      2.80944  18.8563      2.80021  42.6427     140.931     22.4473     320.931     
1 1 1 13 20 5  o 54.6165 3.22614 14.9036      2.66753  18.7688      2.67906  47.5536     67.6437     2.04412     247.644     
1 1 1 13 20 6  o 38.8079 3.9824  7.53465      2.27731  9.92946      2.30839  20.5129     217.937     26.7421     37.9371     
1 1 1 13 20 7  o 34.6077 4.38208 9.94887      2.1988   4.5329       2.19654  28.1951     28.3272     1.22135     208.327     
1 1 1 13 20 8  o 104.8   2.71769 67.1566      4.09453  55.2859      4.56643  113.046     244.932     35.526      244.932     
1 1 1 13 20 9  o 70.4901 2.87423 31.0304      2.92811  24.6765      3.20875  69.6962     81.9197     12.6632     81.9197     
1 1 1 13 20 10 o 16.7551 4.58253 1.09437      1.68345  1.20833      1.67954  3.0567      225.058     9.58481     45.0575     
1 1 1 13 20 11 o 31.7501 4.0907  5.86734      1.90596  5.96809      1.94676  23.3289     46.2311     5.90957     226.231     
1 1 1 13 20 12 o 28.4538 4.30669 3.6699       1.83529  6.05281      1.8437   16.3296     6.93707     14.0602     186.937     
1 1 1 13 20 13 o 85.8796 2.37806 43.9071      3.16218  38.075       3.10665  82.9716     45.8032     10.5839     45.8032     
1 1 1 13 20 14 o 20.1319 4.4862  1.89466      1.57885  2.77947      1.56096  9.79348     225.871     3.46092     45.8707     
1 1 1 13 20 15 o 26.8915 4.18498 4.22873      1.69635  4.39474      1.67563  18.7816     6.42844     4.98621     186.428     
1 1 1 13 20 16 o 53.8538 2.7516  14.9102      2.26665  17.7124      2.25012  44.959      284.889     5.95947     104.889     
1 1 1 13 20 17 f 38.2677 3.22961 8.85707      1.8757   7.90352      1.851    38.3039     342.938     0           0           
1 1 1 13 20 18 o 15.0845 4.7337  -1.08957     3.21428  0.396922     1.19098  6.86251     214.274     36.9695     214.274     
1 1 1 13 20 19 o 38.1191 3.74124 6.91213      2.01531  10.2035      2.22543  22.9662     53.7595     21.2957     233.759     
1 1 1 13 20 20 o 27.579  4.39663 4.37505      2.05094  4.8588       1.5981   17.4519     135.404     12.0634     315.404     
1 1 1 13 20 21 o 36.5169 4.55577 4.46265      2.23908  12.6409      2.61151  33.2441     145.148     3.56366     145.148     
1 1 1 13 20 22 o 19.1815 4.63924 3.57019      1.77877  -0.703513    2.18321  11.9601     173.085     1.44658     173.085     
1 1 1 13 20 23 o 15.8394 4.98379 -4.26541     2.53568  1.62466      2.76748  4.91571     203.575     4.12571     23.5755     
1 1 1 13 20 24 o 44.5094 3.31712 8.38395      2.09007  15.1274      2.25283  39.0699     173.352     0.447989    173.352     
1 1 1 13 20 25 o 20.7277 5.37291 1.58765      2.05575  3.42445      2.47513  11.9109     352.009     5.10275     172.009     
1 1 1 13 20 26 o 17.2564 4.49158 2.64725      1.56363  -1.06385     2.20063  7.09863     223.138     2.95397     43.138      
1 1 1 13 20 27 o 17.2004 5.18483 0.109869     2.37808  1.31791      2.48467  3.67091     51.8098     16.6537     231.81      
1 1 1 13 20 28 o 19.7961 4.66973 3.56482      1.73425  0.877545     1.91818  10.4458     214.746     7.7407      34.7457     
1 1 1 13 20 29 o 35.6535 4.16046 6.53348      2.18212  9.4232       2.1717   26.6435     348.49      7.75153     168.49      
1 1 1 13 20 30 o 12.773  4.26866 -0.999635    1.69664  -2.20595     2.69545  2.1086      178.789     4.78279     358.789     
1 1 1 13 20 31 o 47.6331 3.78582 17.1442      2.63455  11.0751      2.66344  39.3283     343.011     4.79185     163.011     
1 1 1 13 20 32 o 24.2664 5.22715 4.47693      2.20458  3.90339      2.05542  20.127      236.114     1.24998     236.114     
1 1 1 13 20 33 o 16.5108 4.50102 3.28094      1.95977  -2.16113     1.99027  10.2292     267.005     0.67245     267.005     
1 1 1 13 20 34 o 26.9923 5.27192 6.23906      2.29145  4.3925       2.30199  22.8641     140.164     2.23503     140.164     
1 1 1 13 20 35 o 41.672  4.01541 12.7414      2.47055  9.76881      2.48973  45.1035     178.248     19.2483     178.248     
1 1 1 13 20 36 o 14.8521 4.65719 0.830373     2.12367  0.0040859    2.13147  7.96067     273.568     2.61857     93.5675     
1 1 1 13 20 37 o 25.6272 5.60102 5.96195      2.4465   4.62039      2.46894  22.6332     177.08      3.64042     177.08      
1 1 1 13 20 38 o 53.8837 3.78393 17.4938      3.22279  20.3031      2.88853  54.6967     104.228     15.8521     104.228     
1 1 1 13 20 39 o 19.108  5.57592 2.87382      2.6712   2.80617      2.64678  12.6354     168.787     2.98603     348.787     
1 1 1 13 20 40 o 16.5789 4.91135 3.24048      2.27325  -0.686875    2.32211  10.7293     333.819     0.703734    333.819     
1 1 1 13 20 41 o 16.2159 5.06891 0.999282     2.70548  1.66418      2.32489  9.4935      277.326     1.34008     97.3264     
1 1 1 13 20 42 o 19.476  5.64699 2.30299      2.69274  4.28946      2.79066  11.4236     8.90563     3.32803     188.906     
1 1 1 13 20 43 o 13.8195 4.57311 -1.24443     2.25599  0.741682     2.58365  2.06349     344.725     7.33147     164.725     
1 1 1 13 20 44 o 19.5155 5.39367 1.53155      2.4149   5.347        2.57822  10.224      278.858     4.33625     278.858     
1 1 1 13 20 45 o 12.8542 4.36286 -0.41098     2.32008  -1.27139     2.71713  4.15913     226.4       2.31785     46.4001     
1 1 1 13 20 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 21 0  o 45.0139 3.99545 11.7929      2.65138  11.7929      2.65138  63.858      90          52.8005     90          
1 1 1 13 21 1  o 66.7198 3.14797 24.1694      3.0153   26.0116      3.41446  75.6553     300.508     33.1617     300.508     
1 1 1 13 21 2  o 45.541  3.79346 10.9999      2.41848  12.9119      2.80416  38.2651     89.1505     2.7318      269.15      
1 1 1 13 21 3  o 66.0103 2.84364 22.7795      2.97421  26.0844      2.74572  75.2555     304.484     33.7052     304.484     
1 1 1 13 21 4  o 39.5696 3.76361 8.96954      2.30705  9.11263      2.15794  36.4525     109.383     5.87556     109.383     
1 1 1 13 21 5  o 26.088  4.87645 3.38699      2.02743  4.86361      1.99185  12.1239     259.304     17.607      79.304      
1 1 1 13 21 6  o 39.9399 3.65374 9.71722      2.19223  8.66772      2.18956  38.3543     160.442     9.18583     160.442     
1 1 1 13 21 7  o 129.273 2.30372 93.1895      4.5945   92.0268      4.57004  142.156     18.0811     50.3606     18.0811     
1 1 1 13 21 8  o 21.8862 4.63924 1.43861      1.79065  4.08023      1.796    8.08524     276.195     16.922      96.1951     
1 1 1 13 21 9  o 58.9678 2.82124 17.0303      2.51843  22.1616      2.54065  61.0943     337.417     18.1258     337.417     
1 1 1 13 21 10 o 76.3206 2.56027 33.7477      3.06534  31.2549      2.93568  85.1656     122.818     34.1409     122.818     
1 1 1 13 21 11 o 60.7204 2.88652 19.7169      2.82944  21.7858      2.50063  55.4301     25.3056     2.9294      25.3056     
1 1 1 13 21 12 o 12.0282 3.72741 -0.0615767   1.33043  -0.343277    1.3123   11.0743     45.5156     38.7626     45.5156     
1 1 1 13 21 13 o 22.6752 4.29175 2.42012      1.53213  3.77318      1.56584  17.192      72.1639     5.95118     72.1639     
1 1 1 13 21 14 o 17.5542 5.15757 1.25839      1.30115  -0.243725    3.57267  7.39123     357.008     0.756977    177.007     
1 1 1 13 21 15 o 86.4201 3.09261 46.1727      4.03261  38.6058      4.13318  85.1215     77.606      14.9601     77.606      
1 1 1 13 21 16 o 28.3924 4.36645 1.12701      1.61584  9.75632      2.56818  18.9027     151.638     10.412      331.638     
1 1 1 13 21 17 o 19.0498 5.40601 0.564144     2.47832  2.22184      2.44248  3.6386      340.8       22.9692     160.8       
1 1 1 13 21 18 o 20.4108 5.70236 1.15221      2.64784  2.6864       2.70883  13.5733     4.93649     1.98893     4.9365      
1 1 1 13 21 19 o 18.9626 5.41448 0.069009     2.5905   2.46353      2.46973  9.13451     300.603     1.62153     300.603     
1 1 1 13 21 20 o 28.3022 5.49485 7.01048      2.57242  3.4367       2.57642  15.7717     206.324     15.3852     26.3236     
1 1 1 13 21 21 o 21.7708 5.69067 5.3078       2.95742  -1.92502     3.07545  14.4161     280.893     2.57517     280.893     
1 1 1 13 21 22 o 20.9798 5.96707 1.78925      2.49188  2.67795      3.39811  12.6223     250.829     0.462925    250.829     
1 1 1 13 21 23 o 17.396  5.23291 1.32402      2.37055  -0.0360857   2.60702  5.4752      263.757     1.20153     83.7573     
1 1 1 13 21 24 o 17.5998 5.43412 0.805158     3.12943  0.220773     2.40538  6.86779     121.522     5.59691     301.522     
1 1 1 13 21 25 o 25.1099 6.08904 2.65159      3.33489  5.52572      2.71903  12.8166     265.323     14.4067     85.3229     
1 1 1 13 21 26 o 39.7207 5.78054 11.5732      3.78597  10.0731      3.04631  37.9022     155.358     8.92691     155.358     
1 1 1 13 21 27 o 29.4089 5.54015 2.4083       2.89065  9.76814      2.93737  25.4302     142.446     3.58839     142.446     
1 1 1 13 21 28 o 19.8381 5.97464 2.95528      3.12733  0.2805       3.49084  12.9996     109.149     2.78153     109.149     
1 1 1 13 21 29 o 14.2731 4.78719 -2.50109     2.83774  -1.32844     2.83254  1.93517     322.699     0.0932905   142.699     
1 1 1 13 21 30 o 21.3705 5.76844 1.98916      2.76209  4.19077      2.67227  15.8937     358.188     0.898792    178.188     
1 1 1 13 21 31 o 17.4748 5.19284 -1.30859     2.45881  3.18813      2.63777  10.1678     112.9       3.82275     292.9       
1 1 1 13 21 32 f 29.8623 6.51708 5.8796       2.99994  9.1318       3.63159  27.5217     327.002     0           0           
1 1 1 13 21 33 o 18.9517 4.95078 1.56753      1.93246  3.22158      1.98146  13.0449     218.377     0.000369376 218.29      
1 1 1 13 21 34 o 34.2176 4.87917 4.81236      2.58251  12.4007      2.47776  42.6932     350.276     32.4197     350.276     
1 1 1 13 21 35 o 22.6377 5.20888 2.20702      2.24599  5.58346      2.24097  8.26595     206.117     21.0829     26.1173     
1 1 1 13 21 36 o 14.1817 4.5277  1.07933      2.18599  -0.967134    2.08378  7.38737     338.548     0.325368    158.548     
1 1 1 13 21 37 o 15.4861 4.69338 2.43212      2.12417  -0.970133    2.16834  8.91138     249.788     1.0599      69.7881     
1 1 1 13 21 38 o 34.2744 5.55736 9.35782      2.88909  9.51999      2.85214  30.0233     269.62      2.97591     269.62      
1 1 1 13 21 39 o 17.2158 4.97492 3.72019      2.22175  -1.13762     2.65968  11.014      195.808     1.59229     15.8077     
1 1 1 13 21 40 o 14.3791 4.5791  1.76228      2.21816  -1.38449     2.24148  4.31488     342.204     1.93285     162.204     
1 1 1 13 21 41 o 14.1828 4.59914 0.404142     2.24106  0.0587722    2.31844  0.814468    29.8039     1.03729     209.804     
1 1 1 13 21 42 o 22.5374 5.60254 7.18966      2.70827  2.1203       2.71225  16.1192     330.161     0.662875    330.161     
1 1 1 13 21 43 o 14.3424 4.71807 0.0882582    2.3107   1.12691      2.71119  2.5512      160.702     0.0939755   340.702     
1 1 1 13 21 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 22 0  o 65.7235 3.22878 24.2837      3.2309   24.2837      3.2309   65.9245     90          13.1216     90          
1 1 1 13 22 1  o 57.1323 3.62168 18.777       3.00818  18.6794      3.2875   46.3534     52.1302     8.24522     232.13      
1 1 1 13 22 2  o 52.4271 3.47339 15.991       2.67725  15.4656      2.85717  37.0527     137.614     18.4068     317.614     
1 1 1 13 22 3  o 25.8955 4.57559 5.7947       1.9427   2.41715      1.85757  14.4111     297.473     13.1037     117.473     
1 1 1 13 22 4  o 34.9057 3.95386 5.87996      2.04525  8.53458      2.0021   35.756      147.865     14.3181     147.865     
1 1 1 13 22 5  o 38.5486 3.60715 8.05592      2.06863  9.16798      2.10247  33.5952     275.858     1.19926     275.858     
1 1 1 13 22 6  o 55.2976 2.8058  17.5398      2.38155  16.9052      2.3647   58.353      135.761     19.6808     135.761     
1 1 1 13 22 7  o 41.0368 3.312   11.0217      2.05469  8.38163      2.02234  31.7652     61.5036     7.83454     241.504     
1 1 1 13 22 8  o 15.0256 4.2707  1.36618      1.57519  -0.101142    1.53873  4.67214     319.04      4.58922     139.04      
1 1 1 13 22 9  o 16.6157 4.28122 -0.0538261   1.57875  2.31427      1.52003  7.43742     2.97718     6.7531      182.977     
1 1 1 13 22 10 o 14.9448 4.18204 1.04868      1.46147  0.609855     1.39963  0.512979    310.819     21.1353     130.819     
1 1 1 13 22 11 o 16.0131 4.06365 2.21547      1.4231   0.115376     1.3177   3.01377     81.9701     18.0446     261.97      
1 1 1 13 22 12 o 17.9163 4.12143 1.21838      1.37918  2.38964      1.30738  1.98632     24.5046     24.4482     204.505     
1 1 1 13 22 13 o 24.5117 5.27955 3.88216      1.92712  3.62553      2.45781  19.5274     224.502     1.48561     224.503     
1 1 1 13 22 14 o 45.2877 3.24873 10.1723      1.89601  13.6324      2.58282  31.6228     224.907     16.0397     44.9069     
1 1 1 13 22 15 f 45.9719 4.26479 12.775       2.95286  12.6224      2.93986  43.1838     196.768     0           0           
1 1 1 13 22 16 o 23.3792 5.63447 2.6599       2.43214  4.15873      2.48586  17.3234     351.007     2.3258      351.007     
1 1 1 13 22 17 o 34.736  5.20461 9.64303      2.72598  5.96032      2.69405  30.0938     238.026     2.5706      238.026     
1 1 1 13 22 18 o 34.1383 5.77394 7.59731      2.89026  7.8924       3.09899  37.0232     192.344     24.1568     192.344     
1 1 1 13 22 19 o 31.6213 5.89935 9.13656      2.75784  4.06369      3.62767  18.1216     164.704     16.4007     344.704     
1 1 1 13 22 20 o 23.6101 6.32293 0.987641     3.24089  5.39748      3.42241  16.5693     341.425     1.34646     341.425     
1 1 1 13 22 21 o 40.0032 6.24998 14.8214      3.80387  7.64386      3.84895  35.1385     91.6409     3.20592     91.6409     
1 1 1 13 22 22 o 20.4949 5.62409 3.80639      2.52895  -0.44972     3.15086  11.5582     34.9584     4.60705     214.958     
1 1 1 13 22 23 o 25.3847 5.98701 4.25233      2.745    4.77684      2.74936  19.0744     313.442     0.244835    133.442     
1 1 1 13 22 24 o 18.9482 5.5224  1.34632      2.54016  2.09923      2.67436  10.2666     115.68      4.16883     295.68      
1 1 1 13 22 25 o 40.1204 5.27942 10.7872      3.12069  11.0156      3.16273  37.2282     153.749     6.58876     153.749     
1 1 1 13 22 26 o 20.5026 5.67265 3.29286      2.57192  1.95703      2.69785  4.59895     132.002     23.6562     312.002     
1 1 1 13 22 27 o 15.576  5.10309 -0.264591    2.83717  -1.30214     3.0042   8.05058     92.1295     1.38138     272.13      
1 1 1 13 22 28 f 25.5117 6.41896 5.44694      3.17523  5.03869      3.1727   16.0651     277.015     0           0           
1 1 1 13 22 29 o 31.3887 5.77375 7.97866      2.82887  6.80836      2.82033  21.245      65.758      9.86833     245.758     
1 1 1 13 22 30 o 29.3976 6.18049 6.77311      2.98797  7.12629      3.0194   20.1384     160.591     7.75134     340.591     
1 1 1 13 22 31 o 18.3328 5.43968 -1.23699     2.71879  4.04092      2.90525  10.5211     334.528     4.05109     334.528     
1 1 1 13 22 32 o 22.0983 6.0147  2.24659      3.45645  5.24703      2.78831  13.9473     222.427     6.91509     42.4273     
1 1 1 13 22 33 o 46.8417 5.17753 16.9939      3.88713  15.1224      3.32944  43.9652     3.69063     7.7577      3.69063     
1 1 1 13 22 34 o 26.7822 6.54177 7.00943      3.52428  6.6437       3.05935  19.6036     296.019     4.04617     116.019     
1 1 1 13 22 35 o 15.1934 4.97695 -0.067598    2.72688  0.226118     2.80085  7.79314     338.367     0.104901    338.367     
1 1 1 13 22 36 o 20.2852 5.7731  5.07912      2.90366  1.76322      2.86968  16.1962     78.3828     6.15241     78.3828     
1 1 1 13 22 37 o 18.7435 5.82237 4.65741      3.6493   1.2306       2.78455  12.9655     41.9702     0.627418    41.9702     
1 1 1 13 22 38 o 14.4985 4.89192 -0.876327    2.72023  -0.399252    3.33074  3.8722      287.131     1.1245      107.131     
1 1 1 13 22 39 o 11.7009 4.01251 -1.51392     1.57942  -1.31299     2.67548  0.110948    100.1       4.66125     280.1       
1 1 1 13 22 40 o 17.1527 5.43502 1.12045      3.29684  2.57127      2.77259  4.61919     38.412      0.0410717   38.4121     
1 1 1 13 22 41 o 17.2555 5.36394 2.72514      2.68776  2.37919      2.82972  9.07505     283.85      0.114919    283.85      
1 1 1 13 22 42 o 15.9815 5.06278 0.96526      2.27668  2.89686      2.83114  7.52381     296.662     7.25262     116.662     
1 1 1 13 22 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 23 0  o 74.4265 2.98534 31.0478      3.39607  31.0478      3.39607  93.3405     270         53.5944     270         
1 1 1 13 23 1  o 52.0923 3.73478 16.6489      2.88772  15.0358      3.00365  50.3115     215.419     9.7834      215.419     
1 1 1 13 23 2  o 31.8352 4.69625 7.67705      2.1245   4.88905      2.33248  22.1236     83.6139     9.42756     263.614     
1 1 1 13 23 3  o 47.3887 3.2295  12.3512      2.32416  13.4828      2.32661  39.7435     278.303     3.08167     98.3033     
1 1 1 13 23 4  f 83.7702 2.51906 41.2397      3.24654  37.5893      3.23262  52.829      21.7009     0           0           
1 1 1 13 23 5  o 9.56627 3.24701 -1.35336     1.41471  -2.42267     1.36137  3.66281     252.108     15.3908     252.108     
1 1 1 13 23 6  o 14.0147 4.19033 -0.253988    1.60884  0.733232     1.55061  3.16551     123.27      6.83553     303.27      
1 1 1 13 23 7  o 26.1396 4.50486 4.74481      1.8286   3.72897      1.77556  19.6311     92.726      2.30079     272.726     
1 1 1 13 23 8  o 51.6471 2.98815 14.4001      2.43283  16.1153      2.25511  47.8339     153.359     5.86017     153.359     
1 1 1 13 23 9  o 40.3355 3.25298 9.30356      2.0111   9.55207      1.95577  40.886      272.627     13.6845     272.627     
1 1 1 13 23 10 o 74.7065 2.55029 28.1119      3.08422  34.9912      2.66933  71.5201     110.243     11.5581     110.243     
1 1 1 13 23 11 o 33.863  3.48561 6.25824      1.58053  7.27147      1.94718  27.1563     313.275     2.17232     133.275     
1 1 1 13 23 12 o 49.8065 3.21452 13.3693      2.05982  15.3963      2.79456  44.781      182.626     3.5388      182.626     
1 1 1 13 23 13 o 31.4688 5.56617 6.90803      2.74039  6.15084      2.64337  28.2762     347.57      6.76343     347.57      
1 1 1 13 23 14 o 69.7973 3.68007 27.4306      3.72969  29.9036      4.12501  76.4114     213.849     31.2269     213.849     
1 1 1 13 23 15 o 22.7285 5.12272 6.19854      2.53704  -1.68973     2.70048  15.9801     306.957     4.66419     306.957     
1 1 1 13 23 16 o 21.0766 5.44893 0.502294     2.51023  4.15184      2.47345  12.6782     10.7936     1.08948     10.7936     
1 1 1 13 23 17 o 21.0804 5.68942 1.25649      2.66609  3.59141      2.62881  9.25967     235.155     12.242      55.1546     
1 1 1 13 23 18 o 30.1885 5.90252 8.2145       2.97954  4.4693       2.87793  11.131      293.575     27.9326     113.575     
1 1 1 13 23 19 o 62.655  4.20591 23.7369      4.43814  24.3907      3.4546   60.6561     279.74      12.6923     279.74      
1 1 1 13 23 20 o 44.277  5.83503 17.7411      3.95375  9.72288      3.65882  37.6004     236.979     0.0505      236.98      
1 1 1 13 23 21 o 22.4586 6.13459 2.02781      2.64944  4.82533      3.40362  16.4999     290.87      3.94532     290.87      
1 1 1 13 23 22 o 46.4665 5.2988  15.0716      3.36774  14.0958      3.89223  36.6018     212.156     6.43977     32.1564     
1 1 1 13 23 23 o 23.8936 5.66061 6.54656      2.76502  1.11116      2.80489  17.7999     263.776     1.33074     83.7756     
1 1 1 13 23 24 o 32.6982 5.70226 4.85538      2.96604  11.1686      3.07765  22.2994     240.415     10.2739     60.4146     
1 1 1 13 23 25 o 22.4564 6.27957 3.34765      3.15685  4.12738      3.2795   9.71119     286.294     16.4942     106.294     
1 1 1 13 23 26 o 22.6939 6.15388 5.72465      3.13085  1.47757      3.37039  13.7764     318.217     7.67145     138.217     
1 1 1 13 23 27 o 14.4792 4.71908 0.458092     2.40199  -2.18346     2.62255  5.05546     319.238     3.17774     139.238     
1 1 1 13 23 28 o 19.1872 5.94442 0.792033     2.6258   3.72273      3.97453  12.2848     9.33857     0.00341557  9.34002     
1 1 1 13 23 29 o 15.5299 5.09836 1.00455      2.61632  -4.048       3.81031  7.35678     294.034     5.4601      114.034     
1 1 1 13 23 30 o 16.2829 5.21463 1.81412      2.69535  -1.8287      3.27326  5.51311     284.793     13.6491     104.793     
1 1 1 13 23 31 o 31.9127 5.86464 11.7911      3.18605  5.36644      3.03741  28.5754     184.478     4.70518     184.478     
1 1 1 13 23 32 o 34.495  5.96444 8.34026      3.23017  11.4743      3.14146  32.7859     63.5475     8.96348     63.5475     
1 1 1 13 23 33 o 19.4325 5.51277 5.17949      2.80874  0.00607744   2.7359   13.0603     340.954     2.05564     160.954     
1 1 1 13 23 34 o 22.2039 6.15351 4.92065      3.00204  4.55563      3.13895  14.8776     140.261     4.12596     320.261     
1 1 1 13 23 35 o 14.5042 4.78338 -0.325947    2.55133  0.17641      2.68748  2.01326     27.5079     0.444033    27.5079     
1 1 1 13 23 36 o 17.539  5.46263 0.385551     3.30311  3.19888      2.74755  7.05638     255.174     1.87616     255.174     
1 1 1 13 23 37 o 15.893  5.22083 0.424497     2.59859  1.139        3.51957  3.75861     208.406     1.87157     28.4058     
1 1 1 13 23 38 o 17.8314 5.48303 2.02005      2.75539  2.96599      2.86869  7.69865     195.167     1.16366     15.1665     
1 1 1 13 23 39 o 14.8096 4.87988 0.307701     2.70328  0.932444     2.73688  5.17534     291.408     3.74701     111.408     
1 1 1 13 23 40 o 11.8876 4.11645 -3.07448     2.54086  -1.12884     2.54176  1.88734     168.861     1.27655     348.861     
1 1 1 13 23 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 24 0  o 13.5426 5.50208 1.46362      1.83057  1.46362      1.83057  4.11644     90          29.1065     90          
1 1 1 13 24 1  o 17.6369 4.76536 3.47069      2.24123  -2.16126     2.03869  7.1452      229.793     2.83796     49.7931     
1 1 1 13 24 2  o 26.706  5.49958 3.24007      1.99667  6.3558       2.85103  12.8528     179.132     17.1929     359.132     
1 1 1 13 24 3  o 45.7295 3.30833 11.8667      2.29281  12.4877      2.29961  52.09       10.6381     27.9408     10.6381     
1 1 1 13 24 4  o 54.0526 3.03709 17.576       2.47478  16.0552      2.53115  55.4445     263.051     18.2387     263.051     
1 1 1 13 24 5  f 38.5163 3.67456 10.3257      2.08927  7.37603      2.09469  35.9565     214.926     0           0           
1 1 1 13 24 6  o 18.2546 4.35316 3.26751      1.64938  0.0932386    1.62076  8.54807     242.438     2.83487     62.4384     
1 1 1 13 24 7  o 16.9126 4.48727 1.62509      1.59885  1.29645      1.56788  4.27855     280.799     13.5245     100.799     
1 1 1 13 24 8  o 27.6219 4.23007 5.0253       1.74386  4.40655      1.75168  17.7665     224.59      8.64084     44.5901     
1 1 1 13 24 9  o 27.1494 4.64733 4.93829      1.86847  4.37844      1.98181  24.2978     338.962     10.9385     338.962     
1 1 1 13 24 10 o 40.6192 5.12501 9.15034      2.95082  11.9988      3.22194  32.402      11.9805     3.3413      191.981     
1 1 1 13 24 11 o 22.0972 5.72342 3.59884      2.46817  2.26302      2.70937  14.0232     111.665     0.172427    291.665     
1 1 1 13 24 12 o 38.698  5.38778 9.92303      3.18515  9.69401      3.00672  36.9179     6.37518     10.4267     6.37518     
1 1 1 13 24 13 o 19.6477 5.4627  1.36766      2.45994  2.62955      2.43375  4.42156     245.212     20.4483     65.2115     
1 1 1 13 24 14 o 27.9654 5.37202 8.39955      2.71697  2.18404      2.5941   23.3753     82.6629     4.01094     82.6629     
1 1 1 13 24 15 o 40.7062 4.8836  11.154       2.98467  10.2451      2.91792  30.2672     149.826     8.14742     329.826     
1 1 1 13 24 16 o 18.7393 5.40919 2.55811      2.51937  0.63235      2.51839  7.60046     172.577     11.0414     352.577     
1 1 1 13 24 17 o 19.6467 5.68827 1.764        2.68001  2.32752      2.80104  11.7987     173.148     0.0930163   353.148     
1 1 1 13 24 18 o 28.2073 6.06153 6.20773      2.89127  5.60058      2.84445  24.8521     347.712     6.21246     347.712     
1 1 1 13 24 19 o 31.3801 6.53455 9.31134      3.75679  6.24803      3.00381  27.8986     137.183     5.61068     137.183     
1 1 1 13 24 20 o 17.7816 5.55728 -0.151056    2.566    2.08569      3.37199  9.60979     199.049     2.82482     199.049     
1 1 1 13 24 21 o 35.4966 6.02199 9.93188      3.1236   8.91795      3.394    22.8576     142.347     14.0073     322.347     
1 1 1 13 24 22 o 38.1182 5.55577 10.6286      3.13426  10.1762      3.17084  31.107      107.382     1.71564     287.382     
1 1 1 13 24 23 f 22.1478 5.97638 -0.385821    3.24143  6.4034       3.24198  14.8407     223.871     0           0           
1 1 1 13 24 24 o 27.3169 6.65027 6.90231      3.28331  5.92586      3.55467  23.7955     350.321     6.41964     350.321     
1 1 1 13 24 25 o 13.6909 4.55633 -1.5767      2.38894  -0.793558    2.5474   4.05612     347.543     4.91726     167.543     
1 1 1 13 24 26 o 30.0858 5.89982 5.49268      2.92016  9.05173      2.92697  16.8435     114.085     15.9092     294.085     
1 1 1 13 24 27 o 20.2412 5.80644 2.91592      2.79427  3.30299      2.85243  12.845      58.0064     5.01132     238.006     
1 1 1 13 24 28 o 17.6083 5.56326 2.72743      3.35829  0.172764     2.79352  12.1383     64.9536     4.85754     64.9536     
1 1 1 13 24 29 o 20.4459 5.47498 -0.264122    2.67307  5.93472      2.78457  16.5284     359.656     9.2592      359.656     
1 1 1 13 24 30 o 27.0321 6.21138 6.98891      2.8393   6.3318       3.13899  22.9994     199.736     3.75133     199.736     
1 1 1 13 24 31 o 30.9374 6.13501 9.19295      3.02546  7.68752      3.10159  28.2861     349.571     7.29719     349.571     
1 1 1 13 24 32 f 15.2706 4.95088 0.588072     2.56515  0.41025      2.71235  8.76714     194.626     0           0           
1 1 1 13 24 33 o 25.381  6.38799 8.4726       3.30695  4.69571      3.26361  15.3894     105.499     9.1468      285.5       
1 1 1 13 24 34 o 16.6221 5.28911 -1.21882     2.95589  3.3202       2.99304  3.12319     24.9126     17.0721     204.913     
1 1 1 13 24 35 o 18.3135 5.6998  2.02293      3.54697  3.07447      2.8422   7.60347     37.0472     1.57834     217.047     
1 1 1 13 24 36 o 19.1436 5.99568 1.63424      3.52803  5.10527      3.6153   9.42122     48.3988     4.84147     228.399     
1 1 1 13 24 37 o 19.1767 5.51842 6.22988      2.86933  -0.231563    3.08439  11.7113     34.4246     1.22494     214.425     
1 1 1 13 24 38 o 15.5285 5.0778  2.91441      2.70378  -2.64275     3.81408  4.12396     277.377     1.28887     277.377     
1 1 1 13 24 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 25 0  o 49.6334 3.41954 14.2719      2.55271  14.2719      2.55271  43.5747     270         0.304626    270         
1 1 1 13 25 1  o 13.2119 4.2461  -1.36229     2.215    -0.165855    1.61161  0.799849    77.972      3.56133     257.972     
1 1 1 13 25 2  o 20.9942 4.99576 3.18699      1.78978  2.25331      2.10972  4.44638     38.1184     23.382      218.118     
1 1 1 13 25 3  o 14.0664 4.21907 -0.0311726   1.57888  0.748362     1.61658  1.98662     26.4589     8.71353     206.459     
1 1 1 13 25 4  o 11.6146 3.7498  -0.40296     1.47739  -1.01787     1.51968  2.25732     216.787     15.2956     216.787     
1 1 1 13 25 5  f 19.8848 4.8168  1.7701       1.68403  3.12334      1.90734  21.1469     340.403     0           0           
1 1 1 13 25 6  o 32.3471 4.20335 4.86787      1.94128  8.35723      2.06365  27.493      341.44      2.94161     341.44      
1 1 1 13 25 7  o 21.4141 4.5856  2.8333       1.65011  3.04439      1.63559  14.4698     269.412     0.522139    269.412     
1 1 1 13 25 8  o 15.7134 4.22424 1.25852      1.43452  1.25668      1.3896   0.233268    289.945     22.7355     289.945     
1 1 1 13 25 9  o 18.0678 5.26442 0.980169     2.32312  1.87327      2.42345  8.62435     113.163     3.19695     293.163     
1 1 1 13 25 10 f 71.419  3.44199 28.7655      3.65884  32.021       3.86679  53.7832     163.782     0           0           
1 1 1 13 25 11 f 36.0507 5.44075 7.68076      2.76671  10.2006      3.10214  21.9315     142.384     0           0           
1 1 1 13 25 12 o 16.5125 5.11116 0.394308     2.47038  0.662793     2.48193  6.3256      296.99      0.896962    116.99      
1 1 1 13 25 13 o 17.2209 5.19832 0.922128     2.41388  1.16044      2.45838  4.31457     310.352     1.07938     310.352     
1 1 1 13 25 14 o 19.2378 5.3037  4.57804      2.71341  -1.85882     2.56338  4.14044     215.944     21.459      35.9437     
1 1 1 13 25 15 o 61.1927 3.89639 21.9596      3.60535  24.6037      3.64972  55.1648     283.321     5.47394     283.32      
1 1 1 13 25 16 o 21.1385 5.85283 3.80968      2.75017  2.12118      2.89057  16.8121     58.3562     6.37194     58.3562     
1 1 1 13 25 17 o 19.7696 5.78966 1.72912      2.73057  2.92076      3.03519  9.99806     333.296     9.8973      153.296     
1 1 1 13 25 18 o 31.5175 5.94825 4.3038       3.56914  10.9091      3.06939  21.393      231.984     8.92768     51.9842     
1 1 1 13 25 19 o 19.4344 5.98049 -0.244437    3.33427  3.58674      3.53512  5.25929     320.262     19.1872     140.262     
1 1 1 13 25 20 o 24.9573 6.34583 5.33602      2.74019  4.79921      3.66389  19.905      101.663     2.91819     101.663     
1 1 1 13 25 21 f 27.6029 6.11604 4.71253      2.98106  7.66921      2.98132  32.7519     257.967     0           0           
1 1 1 13 25 22 o 39.9072 6.19245 16.3289      3.70639  9.2838       3.84905  33.5816     205.006     1.14835     205.007     
1 1 1 13 25 23 o 28.949  6.51752 9.83387      3.43294  5.00731      3.61277  26.5811     40.7702     8.13513     40.7702     
1 1 1 13 25 24 o 15.8457 4.94018 -2.56998     2.55634  2.63321      2.56739  8.00268     62.9101     3.02692     62.9101     
1 1 1 13 25 25 o 14.2117 4.70487 -0.630347    2.54422  -0.736147    2.60845  6.92434     172.876     4.18422     352.876     
1 1 1 13 25 26 o 19.9232 5.85208 5.56268      3.33124  0.241129     2.90143  15.6004     93.0787     4.70718     93.0787     
1 1 1 13 25 27 o 20.8654 5.92389 3.65152      2.90029  3.88468      2.90988  14.9739     337.608     0.313495    157.608     
1 1 1 13 25 28 f 32.8224 5.99798 7.4198       3.10907  11.1516      3.13768  28.5524     343.351     0           0           
1 1 1 13 25 29 o 18.4997 5.4915  1.03631      2.71477  3.90452      2.74867  12.1634     299.186     0.687029    119.185     
1 1 1 13 25 30 o 16.1297 5.14643 0.22492      2.67684  1.94783      2.7775   6.32484     350.977     9.9898      170.977     
1 1 1 13 25 31 o 18.598  5.61419 2.71783      2.85101  2.94068      2.83333  11.2355     215.509     0.857667    215.509     
1 1 1 13 25 32 o 19.2171 5.6406  4.55375      2.76648  1.27874      3.07549  8.83837     170.155     7.8165      350.155     
1 1 1 13 25 33 o 17.5576 5.5245  1.92411      2.92316  2.48163      3.08835  4.53467     82.2104     0.568432    262.21      
1 1 1 13 25 34 o 15.8499 5.20876 3.06685      3.33509  -1.34277     2.79499  5.43965     56.3464     4.64585     236.346     
1 1 1 13 25 35 o 17.3148 5.70243 -0.596873    4.16414  4.76722      3.68502  8.29246     88.414      5.38599     268.414     
1 1 1 13 25 36 o 14.8274 5       -0.72756     2.64833  2.01523      3.53438  7.24461     70.5492     2.75977     250.549     
1 1 1 13 25 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 26 0  o 12.9032 5.41196 1.31983      1.86629  1.31983      1.86629  2.97668     270         8.38672     90.0001     
1 1 1 13 26 1  o 19.507  5.11068 3.19465      2.26641  1.63401      1.83166  12.3066     33.768      1.05676     213.768     
1 1 1 13 26 2  o 24.3865 5.04136 4.70561      1.8959   3.37709      2.23553  18.4533     235.313     0.0573273   235.312     
1 1 1 13 26 3  o 14.6154 4.18721 -1.07297     1.63379  1.91576      1.61298  4.86864     353.046     6.81752     173.046     
1 1 1 13 26 4  o 15.8668 4.3988  0.0807766    1.65278  2.08782      1.64729  7.2166      44.3338     3.23402     224.334     
1 1 1 13 26 5  o 18.3555 4.67841 1.90614      1.70042  2.26611      1.6878   11.287      320.276     1.08139     140.276     
1 1 1 13 26 6  o 38.604  3.62189 7.63992      2.07189  10.7438      2.05529  31.0156     350.826     2.36415     170.826     
1 1 1 13 26 7  o 21.362  4.84885 3.63976      1.66337  2.35419      2.11228  12.3681     227.083     7.85736     47.0831     
1 1 1 13 26 8  o 22.5487 5.76681 1.54882      2.80388  5.33448      2.72665  14.6686     249.151     4.86738     69.1507     
1 1 1 13 26 9  o 38.1449 5.1341  10.0485      2.87291  9.92418      2.9376   34.4583     223.698     5.86481     223.698     
1 1 1 13 26 10 o 44.4416 4.98247 14.1529      3.04258  12.5248      3.47032  36.9305     9.94228     0.82416     189.942     
1 1 1 13 26 11 o 48.3012 4.85322 15.4655      3.1791   15.8005      3.78817  39.7604     302.957     1.94398     122.958     
1 1 1 13 26 12 o 18.5061 5.3864  0.703423     2.45708  2.87293      2.58759  9.06094     95.8355     8.79794     275.836     
1 1 1 13 26 13 o 38.7153 5.24843 9.91453      2.9392   11.0584      3.0922   36.4728     14.8371     9.38654     14.8371     
1 1 1 13 26 14 o 17.7917 5.31968 0.823325     2.50918  2.13595      2.54943  9.11142     200.833     2.43833     200.833     
1 1 1 13 26 15 f 17.2997 5.21417 -0.346644    2.4899   2.56384      2.57241  6.91859     49.6347     0           0           
1 1 1 13 26 16 o 47.0759 5.49122 18.352       3.84313  13.6799      3.77463  44.5778     320.53      11.1355     320.53      
1 1 1 13 26 17 o 33.1573 5.92935 9.43484      2.98857  7.70344      3.1104   28.1461     165.379     3.21571     165.379     
1 1 1 13 26 18 o 15.515  5.09051 -0.339628    3.24663  -0.339378    2.55653  7.00979     226.631     1.40087     46.6309     
1 1 1 13 26 19 o 20.848  5.95456 4.24742      2.68416  1.65947      3.73334  15.4678     17.0521     1.64157     17.0521     
1 1 1 13 26 20 o 19.3882 5.89859 2.09012      3.09726  2.99104      3.26922  14.5447     277.09      6.2467      277.09      
1 1 1 13 26 21 o 15.8046 5.18019 0.0949581    2.96525  -0.111743    3.0391   5.13692     185.17      2.2941      185.17      
1 1 1 13 26 22 o 14.7995 4.8151  -2.55879     2.44539  1.71444      2.73653  7.78431     72.0008     2.03159     252.001     
1 1 1 13 26 23 o 19.0007 5.59465 3.41932      2.69988  1.76561      2.81243  7.45596     118.751     13.9067     298.751     
1 1 1 13 26 24 o 18.3831 5.56151 1.70468      2.79695  2.99817      2.83398  12.0206     233.597     0.236706    53.5977     
1 1 1 13 26 25 o 14.5236 4.78767 -1.20745     2.69159  0.499974     2.60253  4.39485     38.4336     0.438622    38.4336     
1 1 1 13 26 26 o 18.9868 5.44531 -0.383243    2.72736  5.19692      2.80403  11.9785     212.914     2.68983     32.9142     
1 1 1 13 26 27 o 24.1994 6.34353 6.23154      2.96453  5.69619      3.41054  18.9402     86.1126     1.99684     86.1126     
1 1 1 13 26 28 o 15.6674 5.03603 -0.361477    2.64819  1.9035       2.72425  5.3491      257.344     0.0637798   257.344     
1 1 1 13 26 29 o 15.9727 5.11817 -1.45158     2.72271  2.88846      2.90044  4.63962     35.7073     1.55117     215.707     
1 1 1 13 26 30 o 24.4495 6.19475 5.14479      2.92572  6.88037      3.04039  16.517      211.804     0.253434    211.804     
1 1 1 13 26 31 o 15.3493 4.98891 0.570485     2.6532   0.965165     2.7468   2.75323     131.464     1.50732     311.464     
1 1 1 13 26 32 o 15.2379 5.00424 1.56426      2.78225  0.0746328    2.91078  3.67394     230.686     0.697482    50.6863     
1 1 1 13 26 33 o 14.6655 4.85268 0.890651     2.7325   0.473988     2.73938  6.13066     234.04      3.17682     54.04       
1 1 1 13 26 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 26 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 27 0  o 10.1012 4.65254 0.169207     1.75333  0.169207     1.75333  0.0647507   90.0001     6.85354     270         
1 1 1 13 27 1  o 15.6418 4.59111 -0.109377    2.12658  1.6724       1.70066  0.849472    292.749     0.201462    292.749     
1 1 1 13 27 2  o 26.2428 5.41633 5.52898      2.35116  4.57317      2.31401  8.49876     108.217     25.2985     288.217     
1 1 1 13 27 3  o 56.0961 3.04158 19.8344      2.60283  17.7613      2.60388  59.6394     309.638     25.4884     309.638     
1 1 1 13 27 4  o 43.6871 3.48238 10.3032      2.28035  13.2358      2.28104  44.0748     37.8727     16.1549     37.8727     
1 1 1 13 27 5  f 16.7094 4.41074 -0.0408798   1.76679  2.72113      1.62114  11.2475     233.396     0           0           
1 1 1 13 27 6  o 25.2502 5.26317 4.88588      1.93587  4.34028      2.52909  15.0607     164.354     9.30189     344.354     
1 1 1 13 27 7  o 43.058  4.82565 13.4451      3.05707  11.78        3.10897  45.0879     344.359     20.126      344.359     
1 1 1 13 27 8  f 21.5843 5.39852 0.716167     2.55144  5.44033      2.50585  17.3057     186.507     0           0           
1 1 1 13 27 9  f 19.0061 5.40819 3.51944      2.55251  0.751165     2.48859  16.8488     320.622     0           0           
1 1 1 13 27 10 o 15.6529 4.9191  0.868894     2.36088  0.0566818    2.411    6.38821     267.643     3.1532      87.6425     
1 1 1 13 27 11 o 17.0566 5.20751 0.772602     2.51966  1.69866      2.49764  7.43776     122.284     7.89395     302.284     
1 1 1 13 27 12 o 23.8848 5.93411 4.67272      2.70276  4.55708      2.70563  19.1238     315.485     3.604       315.485     
1 1 1 13 27 13 f 22.5667 5.80506 5.31265      2.68034  2.64781      2.75965  9.5668      7.58027     0           0           
1 1 1 13 27 14 o 20.2451 5.57322 0.498165     2.67701  5.02031      2.75958  14.4557     101.042     0.131151    101.042     
1 1 1 13 27 15 o 37.2382 5.81105 12.6308      3.09402  9.17426      3.44166  35.9185     322.049     11.5083     322.049     
1 1 1 13 27 16 o 16.1214 5.17267 1.37212      2.62303  -0.789071    3.10829  10.1145     132.557     1.52787     132.557     
1 1 1 13 27 17 o 17.9487 5.75119 3.16993      3.82043  -0.0135112   2.96747  11.9319     77.2608     0.159953    77.2608     
1 1 1 13 27 18 o 18.8375 6.27796 -5.08336     5.87147  4.287        4.5663   12.7451     342.067     4.16186     342.067     
1 1 1 13 27 19 o 20.2163 6.35585 0.813419     3.07979  6.68385      4.69954  13.5039     2.24111     1.27243     182.241     
1 1 1 13 27 20 o 15.0995 4.89036 -0.78886     2.53468  1.17845      2.63543  6.4229      11.1573     0.459162    11.1573     
1 1 1 13 27 21 o 19.1789 5.64515 2.15855      2.76261  3.57695      2.79766  12.5491     4.53264     5.5386      4.53264     
1 1 1 13 27 22 o 29.6042 6.56409 8.91552      3.08822  8.22203      3.73754  25.4965     225.803     5.38051     225.803     
1 1 1 13 27 23 o 22.0027 6.11774 4.69562      3.02066  4.80454      3.05184  16.2644     182.816     1.19605     182.816     
1 1 1 13 27 24 o 16.5264 5.21669 0.297953     2.78254  2.35022      2.71582  8.00204     245.403     5.333       65.4027     
1 1 1 13 27 25 o 14.0285 4.66935 -2.05224     2.6355   0.77481      2.6408   3.51231     258.081     3.30079     78.0808     
1 1 1 13 27 26 o 22.1814 6.07479 5.12938      2.90657  4.60135      3.02895  14.5754     102.682     2.62451     102.682     
1 1 1 13 27 27 o 17.9072 5.46037 0.573078     2.7606   4.0192       2.89859  6.65728     39.8389     4.78753     219.839     
1 1 1 13 27 28 o 16.298  5.10956 -2.45147     2.88741  3.7604       2.77053  5.46037     122.596     4.04046     302.596     
1 1 1 13 27 29 f 16.9804 5.3578  3.16592      2.85639  1.18984      2.92627  14.6664     83.6436     0           0           
1 1 1 13 27 30 o 16.3346 5.23642 2.87309      2.8676   1.03792      2.87873  8.06797     150.932     0.513512    330.932     
1 1 1 13 27 31 o 13.306  4.5365  -2.63349     2.69989  0.683355     2.85703  4.70166     29.7201     0.473051    209.72      
1 1 1 13 27 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 28 0  o 19.3575 6.34066 3.56948      2.08784  3.56948      2.08784  13.5223     89.9999     8.22405     89.9999     
1 1 1 13 28 1  o 16.7093 4.68724 1.03349      1.81111  2.20671      1.83406  5.01481     244.621     2.30484     244.621     
1 1 1 13 28 2  o 33.7239 5.11388 6.73876      2.59001  9.88455      2.5856   25.1954     124.057     4.09684     304.057     
1 1 1 13 28 3  o 26.3694 4.79437 6.65171      2.05129  3.46435      2.02155  22.1894     132.757     3.63509     132.757     
1 1 1 13 28 4  o 22.6821 4.934   3.90366      1.90795  3.6718       1.87494  19.3193     39.4704     5.65977     39.4704     
1 1 1 13 28 5  o 29.4378 5.18318 5.51737      1.96364  7.47618      2.7244   25.0023     202.827     3.55313     202.827     
1 1 1 13 28 6  o 34.9687 5.5887  9.94825      2.94354  8.79852      2.93852  37.286      113.713     19.5535     113.713     
1 1 1 13 28 7  o 26.6136 5.9381  6.62006      2.7554   5.19837      2.72706  23.8495     226.556     7.14091     226.556     
1 1 1 13 28 8  o 23.2705 5.39186 7.20556      2.65083  0.757018     2.68602  20.893      53.7084     7.70055     53.7084     
1 1 1 13 28 9  o 17.6394 5.0057  -2.45481     2.45222  4.38751      2.50249  10.3875     332.221     4.41809     152.221     
1 1 1 13 28 10 o 12.9956 4.34424 -3.37949     2.34804  0.214204     2.36134  5.09215     149.988     1.82452     329.988     
1 1 1 13 28 11 o 26.1918 6.28706 6.17736      3.3049   6.24699      2.80311  18.8239     302.485     2.87656     122.485     
1 1 1 13 28 12 o 12.8553 4.34433 0.552707     2.57732  -5.00666     2.35691  3.37567     21.2918     0.717557    201.292     
1 1 1 13 28 13 f 23.3212 5.96403 6.06568      2.85903  3.518        2.78714  14.2487     334.432     0           0           
1 1 1 13 28 14 o 16.213  5.28994 -0.570872    2.49446  2.1152       3.52025  8.64261     148.33      2.20172     328.33      
1 1 1 13 28 15 o 15.5285 4.98009 -1.74428     2.65633  2.14383      2.70295  3.86987     104.669     1.06841     104.669     
1 1 1 13 28 16 o 25.7977 6.48485 4.43827      3.65301  8.66972      3.3504   22.2295     42.4567     7.03184     42.4567     
1 1 1 13 28 17 o 24.794  6.8965  5.99265      4.98147  7.76559      3.49872  18.8588     162.07      1.4879      162.071     
1 1 1 13 28 18 o 18.6368 6.05664 -0.163493    2.83973  6.36194      4.7598   8.75993     217.18      8.8         37.1795     
1 1 1 13 28 19 o 19.7574 5.71193 4.36543      2.79973  2.3637       2.81902  9.60776     116.283     5.53957     116.283     
1 1 1 13 28 20 o 13.152  4.46362 -2.95336     2.62349  -0.205226    2.65236  3.51077     20.5439     3.53983     200.544     
1 1 1 13 28 21 o 15.4056 5.01781 -1.25897     2.82259  1.91421      2.81426  3.45489     347.701     0.530045    167.7       
1 1 1 13 28 22 o 18.6797 5.77894 3.56209      3.4012   2.2884       2.9059   8.87858     282.849     2.62656     102.849     
1 1 1 13 28 23 o 19.7756 5.82699 0.940148     2.82775  6.03709      3.30921  9.38371     130.437     1.767       310.437     
1 1 1 13 28 24 f 14.9216 4.94707 0.7452       2.68516  -0.768411    3.13712  14.0814     55.5592     0           0           
1 1 1 13 28 25 o 17.3363 5.45115 3.39639      2.81316  0.571245     3.33865  4.93935     183.701     0.27998     183.701     
1 1 1 13 28 26 o 14.7443 4.89116 0.650113     2.75202  0.439355     2.86815  4.63518     188.634     5.98981     8.63382     
1 1 1 13 28 27 o 33.1127 6.49365 11.5974      3.50448  11.5999      3.35507  28.1927     105.844     5.38744     105.844     
1 1 1 13 28 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 28 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 29 0  o 51.6718 3.49682 16.1128      2.72015  16.1128      2.72015  57.5784     270         29.0595     270         
1 1 1 13 29 1  o 20.7309 5.05076 4.29585      2.05047  2.34367      1.96699  14.935      241.411     0.475783    241.411     
1 1 1 13 29 2  o 13.4063 4.35449 -0.902245    2.19085  0.291049     1.9685   2.98462     270.999     0.349915    90.9994     
1 1 1 13 29 3  o 23.7674 5.2647  4.99219      2.06167  4.03189      2.29427  18.0844     274.465     0.895689    274.465     
1 1 1 13 29 4  o 21.4739 5.05485 3.21356      1.93113  3.99796      1.99511  17.0174     57.0993     4.30802     57.0993     
1 1 1 13 29 5  o 24.1432 6.17507 8.13703      6.52909  4.36671      1.60336  15.89       338.106     4.33882     158.106     
1 1 1 13 29 6  o 17.5796 5.31947 1.87217      2.54488  2.1162       2.57946  6.78246     60.4615     3.04217     60.4615     
1 1 1 13 29 7  o 27.005  6.02883 7.87979      2.86229  5.1899       2.92583  20.5479     249.062     0.0941657   249.062     
1 1 1 13 29 8  o 17.62   5.32742 2.872        2.61124  1.03784      2.59754  10.6089     252.758     0.489014    72.7577     
1 1 1 13 29 9  o 20.6124 5.76987 3.79623      2.68366  3.56817      2.75543  14.5111     123.616     0.94675     123.616     
1 1 1 13 29 10 o 27.3916 6.02502 8.63065      2.93262  5.03443      2.97054  21.6777     90.6244     1.90203     90.6244     
1 1 1 13 29 11 o 17.3376 5.31217 2.37364      2.59683  1.48445      2.66298  7.44305     90.0674     2.9963      90.0674     
1 1 1 13 29 12 o 18.465  5.46212 0.77344      2.73073  4.13673      2.72524  10.9684     296.956     2.73557     116.956     
1 1 1 13 29 13 o 19.2197 5.63963 4.08735      2.81206  2.05442      2.75524  11.2997     101.202     5.4328      101.202     
1 1 1 13 29 14 o 17.9506 5.66852 0.205813     3.13859  3.98355      3.37776  9.34184     172.621     3.06151     172.621     
1 1 1 13 29 15 o 29.0395 7.08785 10.5725      3.90052  8.52879      3.86519  27.0811     345.973     16.0444     345.973     
1 1 1 13 29 16 o 18.0419 5.98076 4.04152      5.04312  0.955361     3.17987  8.04554     145.483     5.49339     325.483     
1 1 1 13 29 17 f 18.6412 6.08427 -0.205806    5.08831  4.15926      3.74849  10.1474     182.268     0           0           
1 1 1 13 29 18 o 22.0605 6.50049 2.45832      3.58405  8.25296      4.02522  12.515      229.013     1.81954     49.0134     
1 1 1 13 29 19 o 21.3995 6.62654 7.24956      5.64691  4.43081      3.11865  10.3355     190.135     1.68756     190.135     
1 1 1 13 29 20 o 18.4031 5.56748 0.28417      3.02847  4.74067      2.96308  2.82859     59.2954     0.514459    59.2953     
1 1 1 13 29 21 o 11.8745 4.11263 -1.52596     2.52527  -3.39219     2.56158  0.183023    326.631     1.16636     146.631     
1 1 1 13 29 22 o 19.2309 5.74238 4.67991      2.94058  3.09136      2.95495  11.0965     220.291     0.688996    40.291      
1 1 1 13 29 23 o 14.172  4.75476 1.31869      2.83723  -1.39834     2.80731  4.70029     280.326     2.1756      100.326     
1 1 1 13 29 24 o 17.9201 5.49301 1.12162      2.92082  4.81364      2.92609  10.5528     191.684     4.39885     191.684     
1 1 1 13 29 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 30 0  o 11.0114 4.9585  0.768297     1.85065  0.768297     1.85065  0.488585    270         1.07973     90.0002     
1 1 1 13 30 1  o 16.1539 4.67036 2.79252      1.97441  0.252244     1.89717  6.67486     102.73      7.64649     282.73      
1 1 1 13 30 2  o 17.8266 4.95355 1.33413      2.3755   3.06018      1.86855  10.3171     211.637     1.58154     31.6372     
1 1 1 13 30 3  o 18.2836 5.00227 2.93777      1.96118  2.1926       2.08658  11.1258     179.681     0.137465    179.681     
1 1 1 13 30 4  o 14.8673 4.80174 0.767086     2.42334  0.165329     2.48587  5.48609     288.816     2.80405     108.816     
1 1 1 13 30 5  o 19.2143 5.56335 4.36319      2.70939  1.69984      2.705    10.7808     184.653     3.35016     4.65285     
1 1 1 13 30 6  o 18.5236 5.43729 0.976313     2.65508  4.21272      2.67805  9.819       64.5361     3.26751     244.536     
1 1 1 13 30 7  o 15.9825 5.00038 -1.29833     2.5891   2.96285      2.58011  4.92558     261.598     0.613925    81.5983     
1 1 1 13 30 8  o 14.2829 4.6901  -2.16293     2.55295  1.42356      2.55824  2.56408     101.69      2.30227     281.69      
1 1 1 13 30 9  o 13.6983 4.57141 0.526356     2.54634  -2.13794     2.57131  0.388416    67.6372     0.542252    247.637     
1 1 1 13 30 10 f 19.7382 5.72661 4.22407      2.81513  2.69758      2.80923  6.47753     254.223     0           0           
1 1 1 13 30 11 o 22.8068 5.94826 6.64072      2.882    3.27347      2.93386  11.528      25.7605     5.14196     25.7605     
1 1 1 13 30 12 o 18.0234 5.67067 2.86723      3.17837  2.0379       3.16747  6.0656      202.897     3.59103     22.8968     
1 1 1 13 30 13 o 22.4944 6.42657 4.64755      3.47188  6.5641       3.48476  12.3911     332.766     3.55883     152.766     
1 1 1 13 30 14 o 23.1551 6.53085 9.07084      3.8098   3.05397      3.76887  9.65582     217.912     4.81309     217.912     
1 1 1 13 30 15 o 28.1917 6.52599 8.13261      3.35764  8.65144      3.19846  23.2115     241.882     8.12372     241.882     
1 1 1 13 30 16 o 18.708  5.89238 5.52925      3.82086  1.83961      2.98937  8.72208     49.0049     0.75691     49.005      
1 1 1 13 30 17 o 16.5143 5.35139 3.30669      2.8762   -0.847058    3.89403  6.97691     285.844     3.19808     105.844     
1 1 1 13 30 18 o 16.3267 5.22633 0.280054     2.88936  3.38516      2.89589  1.96861     183.633     0.546699    183.633     
1 1 1 13 30 19 o 13.7114 4.63693 -1.29789     2.75358  0.545928     2.79977  4.92666     152.487     2.76781     332.487     
1 1 1 13 30 20 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 30 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 31 0  o 12.5385 5.33109 1.51425      1.85864  1.51425      1.85864  0.660345    270         7.53905     90          
1 1 1 13 31 1  o 12.4557 4.19222 -1.18188     1.70369  -0.149364    2.54991  0.276851    336.793     2.33311     156.793     
1 1 1 13 31 2  o 15.0333 4.76617 0.675887     1.94883  1.35032      2.59482  2.52578     95.4438     2.51217     275.444     
1 1 1 13 31 3  o 14.03   4.77375 -1.42203     2.33981  0.29407      3.49966  1.38098     51.5387     10.5897     231.539     
1 1 1 13 31 4  o 18.8659 5.60974 3.12877      2.72823  3.31858      2.80336  8.78258     190.735     1.43949     10.7348     
1 1 1 13 31 5  o 17.1699 5.3397  2.4174       2.71071  1.98107      2.75734  6.32556     150.281     2.20398     330.282     
1 1 1 13 31 6  f 14.477  4.77336 1.0337       2.59382  -0.64686     2.67236  1.76889     12.2863     0           0           
1 1 1 13 31 7  o 22.5217 6.07244 4.42399      2.94324  6.59146      3.00164  14.2498     337.949     0.851954    157.949     
1 1 1 13 31 8  o 21.2749 5.77405 7.55341      2.97909  1.02645      3.33875  13.1284     133.293     4.89933     133.293     
1 1 1 13 31 9  o 20.3798 5.82549 3.05033      2.90835  5.87268      2.92947  10.0171     319.093     7.48215     139.093     
1 1 1 13 31 10 o 14.806  4.98245 1.97049      3.19503  -1.65394     3.09396  4.82421     54.9854     3.73918     234.985     
1 1 1 13 31 11 o 18.4299 5.79243 2.28502      3.32872  5.00945      3.36516  7.68187     49.3741     9.35762     229.374     
1 1 1 13 31 12 o 23.3227 6.57077 9.00668      3.66534  5.71731      3.60847  13.4544     111.935     6.56437     291.935     
1 1 1 13 31 13 o 22.6971 6.06974 3.85226      3.08216  8.05094      3.10639  14.2485     13.6741     4.1035      193.674     
1 1 1 13 31 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 31 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 31 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 13 32 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 0  0  o 197.935 2.88039 213.682      8.77098  213.682      8.77098  329.432     2.10035e-07 268.69      2.10035e-07 
1 1 1 14 0  1  o 502.811 1.9755  1377.23      15.2947  1377.23      15.2947  592.321     270         159.49      270         
1 1 1 14 0  2  o 196.493 2.03156 210.449      6.14411  210.449      6.14411  156.37      360         87.8444     180         
1 1 1 14 0  3  o 16.8949 6.18521 2.27726      2.07525  2.27726      2.07525  62.5945     270         139.762     270         
1 1 1 14 0  4  o 117.818 2.18491 75.7761      3.95786  75.7761      3.95786  113.457     180         13.1828     8.61746e-06 
1 1 1 14 0  5  o 390.47  1.96609 830.628      11.8204  830.628      11.8204  428.52      270         61.4992     270         
1 1 1 14 0  6  o 41.6802 3.74898 9.92386      2.30007  9.92386      2.30007  5.98847     180         30.9699     8.57716e-06 
1 1 1 14 0  7  o 149.215 2.08946 121.434      4.7968   121.434      4.7968   179.665     270         55.5378     270         
1 1 1 14 0  8  o 160.58  2.07321 140.613      5.12269  140.613      5.12269  176.892     7.1382e-07  26.9964     7.13821e-07 
1 1 1 14 0  9  o 197.942 2.02034 213.575      6.1553   213.575      6.1553   238.794     270         74.9709     270         
1 1 1 14 0  10 o 31.0997 5.10665 6.05791      2.12707  6.05791      2.12707  56.5236     8.68767e-06 166.204     8.68767e-06 
1 1 1 14 0  11 o 364.683 1.96744 724.627      11.0471  724.627      11.0471  478.037     270         215.183     270         
1 1 1 14 0  12 o 14.9268 5.76876 1.70543      1.89057  1.70543      1.89057  14.1492     8.44517e-06 31.0146     8.44517e-06 
1 1 1 14 0  13 o 79.4924 2.42352 34.628       2.95404  34.628       2.95404  29.2016     90          102.695     270         
1 1 1 14 0  14 o 69.9947 2.61094 26.9266      2.79618  26.9266      2.79618  68.7485     180         5.38809     180         
1 1 1 14 0  15 f 59.827  2.9541  19.8002      2.6905   19.8002      2.6905   9.74201     270         0           0           
1 1 1 14 0  16 o 103.955 2.38233 59.0824      3.80454  59.0824      3.80454  138.21      180         66.6199     180         
1 1 1 14 0  17 o 17.2558 6.50899 2.3444       2.35184  2.3444       2.35184  11.1392     270         26.8481     270         
1 1 1 14 0  18 o 13.6875 5.59796 1.26598      1.91398  1.26598      1.91398  4.43043     360         10.0297     360         
1 1 1 14 0  19 o 194.846 2.04457 207.008      6.13153  207.008      6.13153  242.871     90          92.6975     90          
1 1 1 14 0  20 o 42.7742 3.9169  10.4802      2.46089  10.4802      2.46089  26.1996     360         13.8506     180         
1 1 1 14 0  21 o 217.692 2.02252 258.371      6.77728  258.371      6.77728  188.626     90          60.836      270         
1 1 1 14 0  22 o 143.976 2.13552 113.127      4.7299   113.127      4.7299   215.236     0           141.101     0           
1 1 1 14 0  23 o 11.7818 5.24882 0.349719     2.01091  0.349719     2.01091  39.0567     270         86.2439     270         
1 1 1 14 0  24 o 62.237  3.25788 21.4935      3.08207  21.4935      3.08207  80.6658     1.69302e-06 45.3714     1.69302e-06 
1 1 1 14 0  25 o 66.4105 3.30168 24.4462      3.33742  24.4462      3.33742  41.4831     90          49.9484     270         
1 1 1 14 0  26 o 187.201 2.19098 191.274      6.31202  191.274      6.31202  202.88      0           31.6469     0           
1 1 1 14 0  27 o 53.2814 3.69693 15.9791      2.96149  15.9791      2.96149  58.3526     270         42.3875     270         
1 1 1 14 0  28 o 35.1328 5.81842 7.80691      2.73562  7.80691      2.73562  21.383      180         2.38916     180         
1 1 1 14 0  29 o 49.3433 3.7448  13.802       2.76275  13.802       2.76275  57.3992     90          35.8782     90          
1 1 1 14 0  30 o 120.206 2.19983 79.0587      4.06581  79.0587      4.06581  131.604     360         24.5705     360         
1 1 1 14 0  31 o 12.0228 5.48909 0.0282684    2.36818  0.0282684    2.36818  10.3702     270         27.3441     270         
1 1 1 14 0  32 o 16.4098 6.70132 1.94725      2.73655  1.94725      2.73655  1.07789     180         9.1615      180         
1 1 1 14 0  33 o 9.86239 4.57009 -0.206649    1.72928  -0.206649    1.72928  0.618648    89.9992     1.69026     89.9992     
1 1 1 14 0  34 o 59.2729 3.00806 19.6092      2.71243  19.6092      2.71243  48.8505     180         19.0804     8.65124e-06 
1 1 1 14 0  35 o 77.0854 2.85907 32.9408      3.37235  32.9408      3.37235  97.8664     90          44.1671     90          
1 1 1 14 0  36 o 12.3314 5.34412 0.788383     1.94535  0.788383     1.94535  7.02506     180         31.4476     180         
1 1 1 14 0  37 f 20.6417 6.03151 3.38384      1.90251  3.38384      1.90251  15.3795     270         0           0           
1 1 1 14 0  38 o 16.4179 5.89572 2.28422      1.863    2.28422      1.863    0.734205    180         27.8459     8.6515e-06  
1 1 1 14 0  39 o 32.3657 4.74513 6.56609      2.08663  6.56609      2.08663  33.3124     90          3.59007     90          
1 1 1 14 0  40 o 10.2485 4.77274 -0.223103    1.92207  -0.223103    1.92207  0.278732    180         5.0167      8.6512e-06  
1 1 1 14 0  41 o 69.8418 2.63411 27.2058      2.81442  27.2058      2.81442  56.8422     90          21.7956     270         
1 1 1 14 0  42 o 20.5128 6.25176 3.51217      2.02854  3.51217      2.02854  5.41631     180         3.13946     180         
1 1 1 14 0  43 o 8.91084 4.30569 -0.959103    1.85274  -0.959103    1.85274  3.88446     270         14.6656     270         
1 1 1 14 0  44 o 48.0054 3.2885  13.2801      2.37509  13.2801      2.37509  45.6161     360         1.18803     180         
1 1 1 14 0  45 o 10.8539 5.02702 0.0234793    2.08848  0.0234793    2.08848  0.0470091   270         0.89585     90.0002     
1 1 1 14 0  46 o 11.0938 5.0902  0.24952      2.0709   0.24952      2.0709   0.965975    180         3.89697     8.6393e-06  
1 1 1 14 0  47 o 28.6095 5.79129 5.92235      2.21123  5.92235      2.21123  20.6007     90          13.4333     270         
1 1 1 14 0  48 f 9.20412 4.53708 -1.63071     2.32384  -1.63071     2.32384  0.902162    360         0           0           
1 1 1 14 0  49 o 18.6208 6.61104 3.42514      2.32818  3.42514      2.32818  17.4468     270         3.73215     270         
1 1 1 14 0  50 o 12.3739 5.46411 1.07429      2.12845  1.07429      2.12845  6.09869     180         5.45579     360         
1 1 1 14 0  51 o 14.7488 6.09393 2.16749      2.30542  2.16749      2.30542  2.17345     90          1.21606     90          
1 1 1 14 0  52 o 11.7013 5.49281 0.340833     2.62818  0.340833     2.62818  5.11974     360         1.94088     180         
1 1 1 14 0  53 o 20.3394 6.95682 4.39823      2.53854  4.39823      2.53854  22.0515     90          7.60205     90          
1 1 1 14 0  54 o 10.0776 4.85349 -0.405195    2.31308  -0.405195    2.31308  0.916882    180         1.70215     8.65136e-06 
1 1 1 14 0  55 o 12.3138 5.6005  1.09659      2.43474  1.09659      2.43474  2.19524     90          6.06856     270         
1 1 1 14 0  56 o 8.40568 4.17704 -1.47091     2.08775  -1.47091     2.08775  0.524988    360         2.44014     360         
1 1 1 14 0  57 o 9.10604 4.47332 -0.849056    2.20746  -0.849056    2.20746  0.571873    270         4.91526     90          
1 1 1 14 0  58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 1  0  o 60.8254 2.89641 20.4362      2.68423  20.4362      2.68423  43.0596     180         23.1446     360         
1 1 1 14 1  1  o 84.481  2.43543 39.6801      3.14361  38.2845      3.17816  57.7723     212.632     40.7965     32.6317     
1 1 1 14 1  2  o 65.9762 2.72887 23.2391      2.74723  24.4164      2.77268  42.3137     356.997     25.1712     176.997     
1 1 1 14 1  3  o 71.0683 2.62343 26.9707      2.8414   28.279       2.8803   53.5196     117.985     26.9158     117.985     
1 1 1 14 1  4  o 176.365 2.05079 170.136      5.57667  168.922      5.56247  203.058     324.748     56.4925     324.748     
1 1 1 14 1  5  o 169.784 2.05632 152.515      5.36174  161.786      5.38789  178.387     27.7332     19.9182     27.7332     
1 1 1 14 1  6  o 139.755 2.1133  103.727      4.54572  109.235      4.54798  146.546     0.496613    19.8401     0.496613    
1 1 1 14 1  7  o 194.647 2.02573 204.145      6.06174  208.878      6.0815   143.704     70.6242     103.055     250.624     
1 1 1 14 1  8  o 39.2552 4.04964 5.3432       2.22061  12.6165      2.2432   19.114      229.906     95.959      229.906     
1 1 1 14 1  9  o 180.495 2.04763 180.501      5.69038  174.692      5.69095  202.66      94.6664     47.454      94.6664     
1 1 1 14 1  10 o 156.489 2.0667  128.82       4.96671  138.259      4.98993  209.7       190.531     116.922     190.531     
1 1 1 14 1  11 o 124.95  2.30696 87.0103      4.75117  83.3592      4.11052  122.653     77.5669     3.66594     77.5669     
1 1 1 14 1  12 o 91.7115 2.52857 43.4428      3.74504  48.5415      3.33986  56.3726     80.2374     60.9207     260.237     
1 1 1 14 1  13 o 80.9218 2.51634 36.0604      3.21301  35.5322      3.04165  73.5601     179.333     5.78631     179.333     
1 1 1 14 1  14 o 130     2.14888 89.1852      4.29385  95.1786      4.30661  134.646     183.785     17.5239     183.785     
1 1 1 14 1  15 o 146.541 2.08702 118.734      4.69951  115.471      4.71855  132.864     131.533     22.9706     311.533     
1 1 1 14 1  16 o 206.437 2.02636 230.609      6.42682  234.141      6.45627  216.147     90.6721     20.4553     90.6721     
1 1 1 14 1  17 o 156.735 2.06777 132.161      4.99457  135.783      4.98595  148.415     241.225     13.6385     61.2252     
1 1 1 14 1  18 o 80.5745 2.48512 35.7331      3.09226  35.2672      3.0598   81.6119     305.657     14.5392     305.657     
1 1 1 14 1  19 o 30.1244 4.62719 3.17803      2.12081  7.35241      2.12723  15.3675     233.767     73.5211     233.767     
1 1 1 14 1  20 o 82.402  2.64001 34.9664      3.14671  39.4014      3.53867  50.5747     236.318     56.7377     56.3178     
1 1 1 14 1  21 o 115.437 2.57723 75.5538      3.99017  70.1664      5.05262  91.8472     220.685     42.182      40.6854     
1 1 1 14 1  22 o 141.091 2.29321 104.35       4.64587  113.042      5.317    111.813     247.178     54.8128     67.1779     
1 1 1 14 1  23 o 34.391  4.43218 4.98745      2.19444  8.6264       2.29045  7.67395     123.03      10.6654     303.03      
1 1 1 14 1  24 o 87.5638 2.73511 43.0294      3.69663  40.9808      3.66024  79.6455     238.499     8.52295     58.4988     
1 1 1 14 1  25 o 92.0988 2.71313 48.6808      3.864    44.3199      3.8106   66.0466     293.14      47.2566     113.14      
1 1 1 14 1  26 o 50.6368 3.31488 12.2563      2.53979  16.2596      2.52268  45.1321     339.682     1.04824     339.682     
1 1 1 14 1  27 o 18.9306 4.96368 0.670233     1.98162  2.24662      1.96245  18.4877     304.912     59.8094     304.912     
1 1 1 14 1  28 o 74.0885 3.14009 31.1138      3.81474  29.4314      3.31067  55.9749     173.619     29.6605     353.619     
1 1 1 14 1  29 o 16.0189 4.9007  0.225739     2.0789   -0.779185    2.40004  10.1539     353.654     30.1906     353.654     
1 1 1 14 1  30 o 99.0349 2.58191 51.513       4.02712  56.3572      3.81527  67.1479     201.367     59.0062     21.3666     
1 1 1 14 1  31 o 82.6833 2.71174 36.7591      3.54042  38.631       3.3358   91.7278     322.795     24.8771     322.795     
1 1 1 14 1  32 o 71.7475 2.78853 27.2213      3.0597   29.7473      3.07409  82.043      230.195     27.4632     230.195     
1 1 1 14 1  33 o 25.5575 4.97677 6.47172      2.33371  0.711161     2.32649  8.88673     13.527      25.006      193.527     
1 1 1 14 1  34 o 52.9508 3.28102 16.294       2.75693  15.2001      2.54021  49.7853     162.752     1.2722      342.752     
1 1 1 14 1  35 o 42.2689 3.74364 9.28961      2.21643  11.163       2.55444  32.9698     210.02      13.4035     30.0196     
1 1 1 14 1  36 o 66.3394 2.83828 25.5463      2.88381  23.6326      2.8843   45.1017     168.216     38.03       348.216     
1 1 1 14 1  37 o 26.6154 5.07698 4.7523       2.10643  3.86153      2.16851  23.3412     11.8693     4.65337     11.8693     
1 1 1 14 1  38 o 15.8079 4.57681 -0.0918398   1.83671  1.24288      1.78385  0.197649    155.073     23.6856     155.073     
1 1 1 14 1  39 o 65.7439 2.65245 26.0303      2.68246  22.4452      2.65576  79.0634     188.252     32.4811     188.252     
1 1 1 14 1  40 o 20.7032 4.93914 1.90595      1.89096  3.02353      1.8899   17.4927     203.461     2.75626     203.461     
1 1 1 14 1  41 o 16.0002 4.62174 -0.273342    1.83552  1.60141      1.88874  8.34056     335.784     4.40505     155.784     
1 1 1 14 1  42 o 18.614  4.74572 3.23543      1.92792  -0.0362605   1.91045  8.29126     134.527     2.86841     134.527     
1 1 1 14 1  43 o 38.5708 3.93963 10.472       2.22745  7.48436      2.24944  37.7935     331.608     4.7227      331.608     
1 1 1 14 1  44 o 25.4745 5.01126 3.51237      2.05455  4.89559      2.06058  14.436      38.3196     15.8008     218.32      
1 1 1 14 1  45 o 17.1265 4.87866 2.15478      2.04048  0.122333     2.055    3.49595     262.159     0.897125    262.159     
1 1 1 14 1  46 o 23.5154 5.35884 3.12485      2.23136  4.47766      2.23468  8.14887     149.541     5.92917     149.541     
1 1 1 14 1  47 o 22.6551 4.9812  1.64584      2.10034  5.2332       2.09977  21.9575     283.821     14.4755     283.821     
1 1 1 14 1  48 o 21.6288 5.64653 4.38656      2.56908  2.16249      2.53546  13.7891     50.0232     9.645       230.023     
1 1 1 14 1  49 o 19.7492 5.08125 0.216669     2.242    4.46001      2.25481  16.322      340.811     6.76293     340.811     
1 1 1 14 1  50 o 17.5688 5.11243 1.17299      2.12884  2.41434      2.34411  11.8733     92.4496     3.96954     272.45      
1 1 1 14 1  51 o 18.1626 5.32257 2.87337      2.37576  1.17173      2.63371  12.8498     186.765     4.2924      6.76503     
1 1 1 14 1  52 o 12.7932 4.31583 -3.6033      2.50627  -0.140895    2.36722  5.86001     76.1076     0.904858    256.108     
1 1 1 14 1  53 o 16.1069 5.11705 2.58618      2.85102  -0.820748    2.53635  10.7933     124.316     1.62466     304.316     
1 1 1 14 1  54 o 16.1767 5.00419 1.45639      2.20908  1.43661      2.53957  9.94708     282.001     3.81503     102.001     
1 1 1 14 1  55 o 18.867  5.4762  2.98691      2.66154  2.95308      2.43898  11.1872     329.795     2.70499     329.795     
1 1 1 14 1  56 o 12.7635 4.27828 -0.160188    2.36145  -1.29938     2.12377  1.91045     146.702     1.9764      326.702     
1 1 1 14 1  57 o 14.6605 4.69451 1.5501       2.34592  0.587861     2.21601  5.07406     324.475     1.58987     324.475     
1 1 1 14 1  58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 2  0  o 64.0373 2.79855 22.6029      2.73524  22.6029      2.73524  25.0088     360         78.0679     180         
1 1 1 14 2  1  o 251.726 1.9893  350.33       7.71893  340.384      7.70239  309.818     82.5923     114.217     82.5923     
1 1 1 14 2  2  o 224.891 2.00801 283.313      6.97972  268.071      6.92545  194.203     130.531     64.1615     310.531     
1 1 1 14 2  3  o 76.5399 2.54395 33.1187      3.00811  30.938       2.97035  60.3633     161.055     14.8262     341.055     
1 1 1 14 2  4  o 42.397  3.63643 8.60104      2.29912  11.4283      2.30827  5.86147     166.276     25.2886     346.276     
1 1 1 14 2  5  o 170.004 2.05631 158.73       5.38878  156.33       5.37737  167.77      20.6795     2.13988     200.679     
1 1 1 14 2  6  o 70.2683 2.6397  27.9055      2.87336  26.1272      2.81792  41.1011     211.931     42.5366     31.9306     
1 1 1 14 2  7  o 60.2505 2.93297 20.1689      2.79284  19.6415      2.61531  35.4804     209.323     23.74       29.3228     
1 1 1 14 2  8  o 39.2721 4.02239 8.21552      2.47713  9.00995      2.22005  0.298411    290.126     34.2645     110.126     
1 1 1 14 2  9  o 178.004 2.18019 172.139      5.96468  173.365      5.98745  184.929     169.66      16.5844     169.66      
1 1 1 14 2  10 f 51.1706 3.13731 16.6585      2.44653  12.3181      2.40719  49.7663     11.3324     0           0           
1 1 1 14 2  11 o 123.711 2.15709 88.7516      4.1282   78.3568      4.07758  78.3871     291.658     85.5778     111.658     
1 1 1 14 2  12 o 97.2823 2.3184  52.1351      3.45681  51.2151      3.47894  72.0493     130.511     40.1933     310.511     
1 1 1 14 2  13 o 39.7461 3.71453 9.66557      2.20226  7.95528      2.21208  2.08566     159.35      23.4784     339.35      
1 1 1 14 2  14 o 51.5407 3.11407 14.1762      2.45137  15.0644      2.44212  24.079      207.728     20.7652     27.7284     
1 1 1 14 2  15 o 46.1592 3.35041 13.3592      2.3475   10.2805      2.31547  17.0816     216.706     15.6024     36.706      
1 1 1 14 2  16 o 168.134 2.13524 158.357      5.36063  150.038      5.67967  158.876     160.054     15.8583     340.054     
1 1 1 14 2  17 o 65.295  2.93907 24.7075      2.75844  22.0952      3.08457  20.9034     160.549     79.9104     340.549     
1 1 1 14 2  18 o 173.753 2.12836 159.086      5.49683  170.34       5.89412  193.239     277.442     41.6175     277.442     
1 1 1 14 2  19 o 117.016 2.27615 74.5414      4.20198  74.9871      3.98965  132.506     111.475     38.3805     111.475     
1 1 1 14 2  20 o 50.0415 3.26029 12.8579      2.46695  14.7953      2.49235  28.1996     296.193     27.042      116.193     
1 1 1 14 2  21 o 214.884 2.02748 254.975      6.72598  248.765      6.69142  232.279     253.607     36.8262     253.607     
1 1 1 14 2  22 o 53.6032 3.14107 17.179       2.56004  14.5263      2.56309  21.4305     218.793     52.6008     38.7935     
1 1 1 14 2  23 o 141.477 2.14812 107.885      4.66103  110.594      4.69854  151.615     70.9908     25.4352     70.9908     
1 1 1 14 2  24 o 141.67  2.53317 106.128      5.29597  113.413      5.74886  136.164     46.0446     6.89408     226.045     
1 1 1 14 2  25 o 126.155 2.59003 86.6991      4.83121  87.4975      5.21529  132.834     183.282     18.06       183.282     
1 1 1 14 2  26 o 92.1288 2.50962 43.0842      3.41968  50.0287      3.68774  65.8375     50.7907     47.9489     230.791     
1 1 1 14 2  27 o 61.5092 3.0707  18.5557      2.85186  23.3024      2.90273  57.0372     70.6006     0.577923    70.6008     
1 1 1 14 2  28 o 127.776 2.79498 90.0163      5.48642  89.2678      5.49906  117.244     219.971     16.0609     39.9708     
1 1 1 14 2  29 o 89.6736 3.07174 41.153       4.23854  47.6423      4.19835  81.6318     83.8495     9.76533     263.85      
1 1 1 14 2  30 o 27.0174 5.11813 3.28121      2.21148  5.1958       2.19804  3.46789     99.5148     33.1844     279.515     
1 1 1 14 2  31 o 38.5922 3.83079 8.96291      2.30642  7.91858      2.12267  30.4451     350.173     5.02078     170.173     
1 1 1 14 2  32 o 122.51  2.31795 80.2241      4.36762  84.8483      4.36759  140.644     287.747     41.9307     287.747     
1 1 1 14 2  33 o 37.6964 4.88396 7.15555      2.86301  9.53894      2.54323  39.1093     34.4453     13.26       34.4453     
1 1 1 14 2  34 o 19.9349 5.2407  2.4249       2.1322   1.20835      2.2232   4.99088     260.736     0.151795    80.7358     
1 1 1 14 2  35 o 23.5463 5.06579 3.9109       1.96333  2.52096      2.1126   3.7876      20.2313     33.5204     200.231     
1 1 1 14 2  36 o 22.5574 4.93529 3.17         1.88298  2.79942      1.89969  13.0524     112.099     9.34909     292.099     
1 1 1 14 2  37 o 43.1384 3.69508 11.3274      2.39864  10.089       2.40178  41.7231     256.442     3.09485     256.442     
1 1 1 14 2  38 o 31.1911 4.69715 5.22824      2.18847  6.53621      2.18889  34.4689     200.953     19.5664     200.953     
1 1 1 14 2  39 o 17.6401 4.79729 2.0434       1.88527  0.552056     1.87053  9.63738     309.175     3.18566     129.175     
1 1 1 14 2  40 o 46.0201 3.32295 13.5059      2.33169  10.8829      2.29047  49.1222     196.473     11.1603     196.473     
1 1 1 14 2  41 o 53.2439 3.03276 15.5008      2.47268  16.9034      2.45304  51.23       288.835     1.17766     288.835     
1 1 1 14 2  42 f 27.0644 4.81131 3.70467      2.0064   5.59044      2.04526  37.5246     20.2862     0           0           
1 1 1 14 2  43 o 23.4435 5.19992 3.37293      2.04914  3.65985      2.12958  12.7432     58.7468     14.8576     238.747     
1 1 1 14 2  44 o 20.2943 5.07152 2.88225      1.98148  2.04899      2.00111  10.6108     2.25675     11.547      182.257     
1 1 1 14 2  45 o 53.3405 3.29706 17.7641      2.67887  15.7915      2.67413  58.2785     356.27      16.6633     356.27      
1 1 1 14 2  46 o 46.138  3.67639 13.3398      2.56459  12.5875      2.56593  52.2291     320.065     18.9253     320.065     
1 1 1 14 2  47 o 20.2335 5.30426 1.62714      2.29053  3.61345      2.24319  16.4064     195.169     0.0401606   195.17      
1 1 1 14 2  48 o 30.121  5.73993 7.39915      2.69195  6.12262      2.78535  28.0316     341.087     2.36723     341.087     
1 1 1 14 2  49 o 18.5845 5.32876 2.1883       2.28348  2.01963      2.47655  13.7943     288.2       3.38013     288.2       
1 1 1 14 2  50 o 16.4407 4.82431 3.32789      2.33208  -2.4425      2.30344  10.9308     341.856     3.3119      161.856     
1 1 1 14 2  51 o 20.1282 5.22353 3.96967      2.1731   2.05582      2.20123  19.559      287.818     7.31392     287.818     
1 1 1 14 2  52 o 22.5992 5.51197 3.84664      2.37747  4.62762      2.30648  19.588      18.6981     1.10366     18.6981     
1 1 1 14 2  53 o 18.6968 5.42398 2.94021      2.39422  2.46883      2.62951  13.9852     351.132     1.59805     171.132     
1 1 1 14 2  54 o 14.6163 4.74531 0.449911     2.4861   0.178228     2.37986  5.9541      99.0201     0.955322    99.0201     
1 1 1 14 2  55 o 11.7051 3.9732  -0.654753    2.06642  -2.64469     2.13164  0.452905    286.567     2.09926     106.567     
1 1 1 14 2  56 o 15.2123 4.75794 -0.603349    2.27584  2.48152      2.30561  4.3277      65.5484     0.186675    65.5485     
1 1 1 14 2  57 o 14.5617 4.66117 0.685068     2.30166  1.34217      2.20567  8.13209     236.06      1.19266     236.06      
1 1 1 14 2  58 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 3  0  o 9.92549 4.6823  -0.648713    1.9502   -0.648713    1.9502   18.4311     360         38.2948     360         
1 1 1 14 3  1  o 249.05  1.99575 339.222      7.65693  336.877      7.65086  220.819     298.298     60.0786     118.298     
1 1 1 14 3  2  o 50.7097 3.24397 15.5997      2.50382  12.7781      2.48759  12.5169     77.8474     112.626     77.8474     
1 1 1 14 3  3  o 70.8692 2.73319 26.0426      3.06339  28.9561      2.85775  52.1644     277.475     17.361      97.4745     
1 1 1 14 3  4  o 271.908 2.13333 407.747      9.53364  398.327      8.30211  241.247     315.778     65.9151     135.778     
1 1 1 14 3  5  o 202.99  2.09204 226.805      6.73546  222.417      6.34065  175.544     57.7222     55.5108     237.722     
1 1 1 14 3  6  o 67.2795 2.65495 23.4437      2.74407  26.1316      2.72798  53.5229     149.99      16.1583     149.99      
1 1 1 14 3  7  o 37.3697 3.97675 8.0668       2.20965  7.54925      2.22296  2.79138     192.038     37.5888     192.038     
1 1 1 14 3  8  o 146.406 2.0979  125.239      4.73834  108.753      4.70561  200.49      228.836     122.262     228.836     
1 1 1 14 3  9  o 27.4716 4.87882 4.52319      2.06538  4.07771      2.05882  41.4224     65.7068     115.269     65.7068     
1 1 1 14 3  10 o 53.108  3.09026 18.4263      2.49098  12.8394      2.45629  6.42132     134.601     75.2927     314.602     
1 1 1 14 3  11 o 108.983 2.31856 61.7809      3.74751  67.964       4.0274   115.859     185.117     27.388      185.117     
1 1 1 14 3  12 o 167.027 2.12282 148.176      5.29859  156.111      5.62223  181.622     298.103     34.5667     298.103     
1 1 1 14 3  13 o 113.396 2.46548 66.5656      4.18491  73.9752      4.41522  111.299     177.648     6.15935     177.648     
1 1 1 14 3  14 o 119.793 2.34059 72.2999      4.0155   84.626       4.61785  122.676     341.716     14.8415     341.716     
1 1 1 14 3  15 o 110.979 2.23097 69.0697      3.81151  65.4182      3.80404  102.742     212.507     8.30333     32.507      
1 1 1 14 3  16 o 69.2981 2.6466  29.2913      2.81501  23.4528      2.78808  63.8558     38.2245     8.25309     38.2245     
1 1 1 14 3  17 o 247.505 2.00688 333.683      7.6588   334.407      7.63887  222.22      279.965     51.5116     99.9648     
1 1 1 14 3  18 o 173.897 2.06461 164.151      5.53369  165.699      5.52347  196.395     94.4372     48.1108     94.4372     
1 1 1 14 3  19 o 177.622 2.06715 176.586      5.64924  167.613      5.65578  190.544     35.4481     28.7852     35.4481     
1 1 1 14 3  20 o 86.7341 2.53392 43.6945      3.26985  38.6624      3.4597   62.2646     273.474     41.5299     93.4743     
1 1 1 14 3  21 o 45.943  3.62145 11.2439      2.5785   12.1697      2.4461   27.5026     103.071     10.0664     283.071     
1 1 1 14 3  22 o 152.583 2.10956 128.877      4.96652  125.208      4.94624  147.005     110.831     6.77495     290.831     
1 1 1 14 3  23 o 63.2623 2.90095 19.2406      2.78336  24.8974      2.80302  46.6383     296.843     22.7882     116.843     
1 1 1 14 3  24 o 72.0214 2.99555 29.9387      3.3221   27.0744      3.28799  51.0788     278.248     34.699      98.2477     
1 1 1 14 3  25 o 71.2984 2.9863  27.6866      3.25239  28.192       3.27561  94.0117     353.712     62.5921     353.712     
1 1 1 14 3  26 o 68.2139 2.80276 26.7226      2.98155  24.4426      2.8804   66.6142     254.427     5.45264     254.427     
1 1 1 14 3  27 o 94.6174 2.79866 52.8675      4.06149  45.5845      4.05855  88.3722     105.593     6.37329     285.593     
1 1 1 14 3  28 o 54.0301 4.11264 16.6579      3.21612  16.0248      3.5035   44.9242     124.829     7.27554     304.829     
1 1 1 14 3  29 o 29.1942 5.18855 4.9136       2.18417  5.01374      2.47722  10.6443     228.497     9.25351     48.4966     
1 1 1 14 3  30 o 76.479  2.67958 31.1973      3.14641  33.2594      3.14268  96.7125     169.121     50.3475     169.121     
1 1 1 14 3  31 o 47.9948 3.43809 12.6348      2.51133  13.1483      2.49933  44.0506     245.885     0.996044    245.885     
1 1 1 14 3  32 o 41.2053 3.80104 9.563        2.29844  9.69228      2.40939  26.7607     103.06      22.2743     283.06      
1 1 1 14 3  33 o 26.6317 4.72371 3.53142      1.95799  4.85309      1.93537  9.47494     93.0885     27.5341     273.089     
1 1 1 14 3  34 o 38.6453 3.73721 10.6418      2.12134  6.65091      2.10458  41.703      98.5199     14.0238     98.5199     
1 1 1 14 3  35 o 68.8316 2.97569 27.9758      2.98025  25.0145      3.26431  81.1582     205.12      30.4907     205.12      
1 1 1 14 3  36 o 18.8072 5.06743 1.22459      2.00317  1.9394       2.08102  8.03898     310.609     4.64459     130.609     
1 1 1 14 3  37 o 60.3896 2.87366 21.2804      2.7516   19.6661      2.56289  63.8004     161.643     12.4581     161.643     
1 1 1 14 3  38 o 63.5663 3.00128 22.8796      2.9821   22.6621      2.85892  62.202      259.299     2.73498     259.299     
1 1 1 14 3  39 o 109.367 2.48664 69.4958      4.32999  63.9821      4.03644  121.215     158.235     30.8508     158.235     
1 1 1 14 3  40 o 39.9691 3.72777 10.5188      2.20461  8.21758      2.23181  37.9795     347.745     0.829262    347.745     
1 1 1 14 3  41 o 20.5234 4.47166 -0.836162    1.91828  4.80259      1.96557  9.22631     51.2462     16.8824     231.246     
1 1 1 14 3  42 o 35.8855 4.15616 7.19548      2.18668  8.42895      2.2418   40.3495     105.415     16.4386     105.415     
1 1 1 14 3  43 o 18.4097 4.97172 1.60954      1.96386  1.87984      1.96219  7.09211     116.706     14.9062     296.706     
1 1 1 14 3  44 o 30.5215 4.82316 4.80495      2.21162  7.21725      2.2367   30.0682     243.346     7.00571     243.346     
1 1 1 14 3  45 o 19.562  5.26499 2.05083      2.06862  2.42623      2.32024  13.9616     141.24      0.595497    141.24      
1 1 1 14 3  46 o 19.0813 4.96368 0.44413      2.08553  3.55069      2.06816  13.8532     255.193     1.54527     75.1934     
1 1 1 14 3  47 o 33.9136 5.7282  9.14463      3.04528  7.62993      2.86353  34.9362     16.4359     8.67077     16.4359     
1 1 1 14 3  48 o 11.952  4.02994 -1.92361     2.16742  -1.65821     1.94671  3.47551     15.9066     6.66602     195.907     
1 1 1 14 3  49 o 17.1816 5.23622 2.03152      2.55715  0.372661     2.53655  6.74065     181.727     2.77504     181.727     
1 1 1 14 3  50 o 25.0852 5.28129 6.38452      2.30984  3.23846      2.30527  27.2749     287.928     12.675      287.928     
1 1 1 14 3  51 o 22.3961 5.5324  2.99716      2.74835  4.92195      2.23667  19.102      128.406     0.0368964   308.405     
1 1 1 14 3  52 f 16.8642 4.97475 0.0229179    2.23469  3.03674      2.28656  13.6687     193.999     0           0           
1 1 1 14 3  53 o 15.6537 4.79168 0.505689     2.15986  1.85999      2.14402  10.7068     140.26      1.71429     140.26      
1 1 1 14 3  54 o 23.2267 5.77941 5.46834      2.5746   4.45468      2.58887  21.7669     274.622     7.19887     274.622     
1 1 1 14 3  55 o 20.0209 5.5904  4.45718      2.6222   2.66339      2.53748  13.3183     201.903     1.74597     201.903     
1 1 1 14 3  56 o 16.9547 5.0998  1.70589      2.30645  2.78316      2.37475  10.0022     147.868     2.77361     327.868     
1 1 1 14 3  57 o 13.0007 4.31922 1.02082      2.2416   -1.84391     2.27714  5.14406     39.0968     0.46205     39.0967     
1 1 1 14 4  0  o 12.2482 5.5019  0.246426     2.26203  0.246426     2.26203  104.917     180         221.571     180         
1 1 1 14 4  1  o 146.135 2.23984 114.417      4.99838  118.456      5.0823   138.293     166.007     10.6822     346.007     
1 1 1 14 4  2  o 77.6096 2.54621 32.7607      3.01362  33.0837      3.05576  19.3051     48.5966     107.467     228.597     
1 1 1 14 4  3  o 211.016 2.02011 232.851      6.54223  252.755      6.57928  172.523     17.2899     77.874      197.29      
1 1 1 14 4  4  o 106.347 2.26479 63.3564      3.70994  60.1027      3.69771  106.269     230.105     12.1569     230.105     
1 1 1 14 4  5  o 127.39  2.14872 87.0824      4.20343  89.8683      4.22626  105.338     14.9112     37.906      194.911     
1 1 1 14 4  6  o 146.498 2.10241 114.034      4.72301  119.997      4.76125  149.806     304.398     12.7741     304.398     
1 1 1 14 4  7  o 20.8611 5.09661 2.62841      2.03134  1.6427       1.98041  34.5343     323.368     83.4674     323.368     
1 1 1 14 4  8  o 219.544 2.07961 265.355      6.81054  260.195      7.2394   257.265     335.006     77.2574     335.006     
1 1 1 14 4  9  o 45.478  3.69202 13.0582      2.33576  9.96219      2.63643  10.1832     164.958     28.3924     344.958     
1 1 1 14 4  10 o 100.629 2.34617 57.6622      3.52071  52.9667      3.72376  75.1068     261.133     41.0518     81.1333     
1 1 1 14 4  11 o 116.169 2.20463 74.4347      3.95536  72.8607      3.92506  130.568     129.497     42.6784     129.497     
1 1 1 14 4  12 o 173.872 2.05733 160.948      5.49886  168.766      5.51597  142.134     199.491     60.7728     19.4906     
1 1 1 14 4  13 o 60.6339 2.94203 20.7725      2.61882  19.5794      2.82877  40.5766     263.159     15.3482     83.1586     
1 1 1 14 4  14 o 18.298  4.78508 -0.275755    1.94226  2.4872       1.90608  31.0803     204.78      73.9373     204.78      
1 1 1 14 4  15 o 271.153 1.98751 403.417      8.30779  398.367      8.28954  302.37      94.0226     61.9603     94.0226     
1 1 1 14 4  16 o 248.617 2.07161 341.443      8.20279  332.753      7.65583  307.436     241.956     118.68      241.956     
1 1 1 14 4  17 o 75.1359 2.58602 30.4194      2.98447  31.366       2.98106  65.9362     146.71      51.805      146.71      
1 1 1 14 4  18 o 87.5238 2.44532 42.8019      3.2997   40.9553      3.27801  100.103     339.396     38.5455     339.396     
1 1 1 14 4  19 o 113.107 2.25946 66.9709      3.94412  72.8036      3.91206  117.757     349.435     16.701      349.435     
1 1 1 14 4  20 o 125.204 2.18131 86.5563      4.20778  84.5065      4.20296  96.6497     349.144     52.353      169.144     
1 1 1 14 4  21 o 57.2346 3.01603 18.6948      2.65301  17.3405      2.62315  47.2132     101.655     0.53631     281.655     
1 1 1 14 4  22 o 119.782 2.29834 80.3647      4.36264  76.4311      4.10871  131.871     320.895     31.4577     320.895     
1 1 1 14 4  23 o 26.2218 5.28798 3.13406      2.23844  4.64087      2.28488  2.88503     16.0684     30.7307     16.0684     
1 1 1 14 4  24 o 144.697 2.44135 102.557      5.37429  127.009      5.46201  146.421     65.4893     7.84        65.4892     
1 1 1 14 4  25 o 162.443 2.61812 140.434      6.53126  148.355      6.56403  199.079     210.785     78.2519     210.785     
1 1 1 14 4  26 o 54.8485 3.41138 19.019       2.84371  14.4516      2.81701  60.9826     18.0756     32.1009     18.0756     
1 1 1 14 4  27 o 101.608 2.73269 61.8364      4.2724   51.7424      4.23999  106.418     53.3183     16.4152     53.3183     
1 1 1 14 4  28 o 54.629  3.45597 19.2702      2.80841  14.0916      2.87046  60.8256     158.232     37.9065     158.232     
1 1 1 14 4  29 o 73.7046 2.83754 29.2963      3.334    30.6116      3.06937  86.2247     157.801     34.7937     157.801     
1 1 1 14 4  30 o 64.3997 2.92013 24.5466      2.89989  21.3824      2.85327  73.4276     247.996     27.497      247.996     
1 1 1 14 4  31 o 89.9601 2.59758 46.7277      3.72721  42.5465      3.45612  106.029     150.769     38.8456     150.769     
1 1 1 14 4  32 o 71.1466 2.75422 29.1812      3.05545  26.9064      2.9559   66.7784     305.223     3.30667     125.223     
1 1 1 14 4  33 o 25.9352 4.76385 4.2446       1.90861  3.71679      1.93585  19.141      253.24      8.53741     253.24      
1 1 1 14 4  34 o 49.9266 3.17024 14.266       2.32094  13.7455      2.49339  43.2645     242.744     8.16379     62.7439     
1 1 1 14 4  35 o 25.5515 4.7264  5.03163      1.92903  2.77686      1.9241   21.2721     195.913     5.63006     195.913     
1 1 1 14 4  36 o 59.927  3.20796 18.5348      2.7964   22.0688      3.08124  46.6757     276.532     21.5462     96.5319     
1 1 1 14 4  37 o 34.9878 4.5381  5.20191      2.32918  9.64636      2.31403  25.4657     27.6239     13.2275     207.624     
1 1 1 14 4  38 o 22.7553 5.0193  4.01908      2.05858  2.14102      1.92587  14.5557     195.872     8.45764     15.8717     
1 1 1 14 4  39 o 41.5925 3.76214 10.1339      2.21852  10.0051      2.47715  31.6988     307.623     15.1456     127.623     
1 1 1 14 4  40 o 65.0457 3.01124 25.0713      3.0709   23.0541      2.92851  68.3068     216.049     12.1692     216.049     
1 1 1 14 4  41 o 13.0475 4.24414 -1.12909     2.11689  -0.983832    1.79252  3.13163     290.866     25.8969     290.866     
1 1 1 14 4  42 o 26.3569 5.04273 3.77593      2.18319  5.13297      2.057    20.7613     68.3091     3.97517     248.309     
1 1 1 14 4  43 o 34.3687 4.65568 6.09214      2.24787  8.79823      2.50316  29.3299     184.075     3.63851     4.07458     
1 1 1 14 4  44 o 24.8278 5.30926 3.70992      2.13775  4.48809      2.2732   9.30254     354.43      25.3471     174.43      
1 1 1 14 4  45 o 30.6742 4.97674 5.62306      2.20789  6.88958      2.39979  36.2495     221.087     26.0916     221.087     
1 1 1 14 4  46 o 23.0595 5.29174 3.53058      2.14167  3.85765      2.15903  17.2558     35.6373     4.89032     215.637     
1 1 1 14 4  47 o 18.0655 5.17187 2.7403       2.29325  0.511605     2.33073  12.147      119.363     5.06371     299.363     
1 1 1 14 4  48 o 14.6411 4.64408 1.00198      2.24941  -1.35684     2.19662  4.30033     117.961     0.790178    117.961     
1 1 1 14 4  49 o 17.6665 5.30202 2.00158      2.67635  1.26229      2.33384  5.92391     207.789     17.4745     27.789      
1 1 1 14 4  50 o 13.1561 4.33817 -1.8         2.16494  0.0103882    2.1899   5.66883     358.405     1.07243     358.405     
1 1 1 14 4  51 o 21.956  5.57408 4.86202      2.37836  2.90849      2.60142  22.2519     254.987     9.70985     254.987     
1 1 1 14 4  52 o 16.1775 4.84216 2.45894      2.15499  0.107927     2.16834  11.6475     49.4813     2.5735      49.4813     
1 1 1 14 4  53 o 14.9648 4.68432 1.98698      2.18644  -0.951832    2.29725  7.10849     338.643     2.46092     338.643     
1 1 1 14 4  54 o 21.2415 5.26271 1.52828      2.58936  5.67472      2.28561  10.364      332.294     6.85647     332.294     
1 1 1 14 4  55 o 19.7091 5.54208 4.01579      2.49539  2.83715      2.60268  13.0205     304.942     0.870103    304.942     
1 1 1 14 4  56 o 11.7473 4.03832 -0.616335    2.30891  -3.37305     2.38223  0.307109    77.2645     14.8544     257.265     
1 1 1 14 4  57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 5  0  o 127.046 2.16609 88.0885      4.2321   88.0885      4.2321   171.622     9.54059e-06 85.8693     9.54059e-06 
1 1 1 14 5  1  o 130.524 2.15187 91.7531      4.30716  94.0085      4.3429   87.8284     255.064     80.4557     75.064      
1 1 1 14 5  2  o 187.296 2.04516 193.522      5.90807  188.934      5.8886   201.555     49.8446     31.8142     49.8447     
1 1 1 14 5  3  o 160.777 2.14056 136.484      5.11978  145.435      5.48068  155.663     252.897     5.70163     72.897      
1 1 1 14 5  4  o 142.089 2.42237 114.038      4.65396  106.33       5.82776  151.867     313.803     27.3587     313.803     
1 1 1 14 5  5  o 92.4665 2.67838 46.2647      3.32445  47.1965      4.23891  85.7362     191.709     1.94092     191.709     
1 1 1 14 5  6  o 139.204 2.28365 107.056      4.54235  104.361      5.21121  104.743     29.772      63.9515     209.772     
1 1 1 14 5  7  o 95.7274 2.3343  49.3102      3.44845  50.7677      3.42221  77.3709     218.516     24.6482     38.5159     
1 1 1 14 5  8  o 53.1512 3.06269 16.9142      2.47912  14.2035      2.47513  20.0436     240.271     38.7211     60.2714     
1 1 1 14 5  9  o 134.931 2.13551 101.8        4.44275  96.7757      4.4297   131.394     15.702      0.927037    15.7023     
1 1 1 14 5  10 o 89.4185 2.46606 46.1473      3.51802  41.2952      3.26176  90.6651     338.192     22.7249     338.192     
1 1 1 14 5  11 o 130.708 2.14398 88.6346      4.30734  97.8093      4.31587  114.713     336.686     25.0184     156.686     
1 1 1 14 5  12 o 214.358 2.01808 246.846      6.66252  254.242      6.65919  210.729     304.453     5.53323     124.453     
1 1 1 14 5  13 o 107.978 2.25307 66.6183      3.76527  60.7518      3.71521  89.8696     245.433     28.1162     65.4327     
1 1 1 14 5  14 o 138.003 2.14327 106.371      4.56092  101.393      4.54672  122.213     240.626     26.5674     60.6255     
1 1 1 14 5  15 o 82.7279 2.46768 38.2702      3.13868  36.5703      3.13331  91.5087     260.242     34.165      260.242     
1 1 1 14 5  16 o 89.3358 2.4273  39.8341      3.32308  47.5727      3.32254  88.0881     253.572     7.3383      253.572     
1 1 1 14 5  17 o 108.93  2.38688 62.7853      4.15704  66.876       3.81963  100.459     11.4005     10.2274     191.401     
1 1 1 14 5  18 o 101.16  2.32591 53.8465      3.62357  57.9906      3.60878  94.9639     223.103     4.51178     43.1029     
1 1 1 14 5  19 o 172.841 2.0803  163.058      5.53814  162.858      5.53554  209.367     143.915     78.5313     143.915     
1 1 1 14 5  20 o 229.884 2.02073 285.951      7.15444  290.605      7.15184  225.488     197.87      5.9688      17.8697     
1 1 1 14 5  21 o 74.1301 2.64469 28.7756      2.99873  31.4549      3.01577  72.4798     46.5038     9.68913     46.5039     
1 1 1 14 5  22 o 20.4805 4.63121 4.25507      2.03096  -1.2419      2.0357   13.5839     69.9501     43.6484     69.9501     
1 1 1 14 5  23 o 129.579 2.32132 91.655       4.62911  91.8913      4.62718  94.4075     81.1586     66.1462     261.159     
1 1 1 14 5  24 o 44.3734 4.54626 12.7528      2.97361  9.53453      2.99871  39.4412     319.826     10.8456     319.826     
1 1 1 14 5  25 o 128.22  2.54971 82.9399      5.0068   97.3987      5.02862  110.604     41.7848     30.4897     221.785     
1 1 1 14 5  26 f 60.1394 3.01032 21.4102      2.64405  18.5302      2.86156  63.0393     293.074     0           0           
1 1 1 14 5  27 o 34.0561 4.55211 5.77043      2.28308  7.57037      2.30814  9.60412     190.056     1.26332     190.056     
1 1 1 14 5  28 o 61.9799 3.53406 19.9293      3.35502  22.8091      3.31756  56.9641     179.975     0.7313      359.975     
1 1 1 14 5  29 o 62.5561 3.11396 22.1408      2.98421  21.2132      2.97582  57.2208     267.379     2.58958     87.3787     
1 1 1 14 5  30 o 74.929  2.63039 31.6211      2.94291  30.3003      3.1012   77.9789     200.583     13.117      200.584     
1 1 1 14 5  31 o 54.2215 2.92993 16.4094      2.4293   16.2622      2.42631  39.4071     65.69       23.7455     245.69      
1 1 1 14 5  32 o 33.2917 4.14657 7.60659      2.03502  5.29632      2.03178  21.1408     34.8312     17.4047     214.831     
1 1 1 14 5  33 o 53.3373 2.95757 14.0796      2.38774  17.8065      2.40516  61.5888     9.66699     22.9851     9.66699     
1 1 1 14 5  34 o 42.7534 3.41551 10.9525      2.20112  9.78767      2.20971  44.4387     83.8276     10.1193     83.8276     
1 1 1 14 5  35 o 29.0791 4.64587 5.56237      1.9922   4.55606      2.07687  20.8058     21.0962     9.27975     201.096     
1 1 1 14 5  36 o 39.997  3.64085 9.28096      2.15374  9.12163      2.22533  34.3417     102.179     5.43636     282.179     
1 1 1 14 5  37 f 22.8491 4.80966 5.6105       2.15855  -1.02602     2.48249  30.0411     341.469     0           0           
1 1 1 14 5  38 o 51.0626 3.80194 14.4107      2.65953  15.7708      3.21915  52.9784     265.458     9.5553      265.458     
1 1 1 14 5  39 o 48.8246 3.31074 14.1512      2.34933  13.1836      2.55027  49.9803     120.634     7.46818     120.634     
1 1 1 14 5  40 o 19.5751 5.17657 2.4762       1.93208  1.33814      2.37464  14.8714     131.066     2.83841     131.066     
1 1 1 14 5  41 o 49.4718 3.42861 14.7195      2.55275  13.7769      2.59891  44.7158     254.556     3.73831     74.5557     
1 1 1 14 5  42 o 23.9667 5.11436 4.60479      2.14695  2.75569      2.0133   20.2463     213.926     2.04108     213.926     
1 1 1 14 5  43 o 19.1513 4.95752 2.78344      1.94789  1.23398      1.96399  11.2007     7.50022     5.69082     187.5       
1 1 1 14 5  44 o 19.8034 5.19831 2.28806      2.10312  2.35782      2.11884  13.1098     358.748     3.52103     178.748     
1 1 1 14 5  45 o 19.8427 5.21999 3.25429      2.26113  1.5797       2.06192  15.2538     341.689     4.07528     341.689     
1 1 1 14 5  46 o 16.6862 5.15193 1.10472      2.79736  0.436213     2.17972  9.75277     55.2123     2.81942     55.2123     
1 1 1 14 5  47 o 28.6045 6.28926 7.1605       3.2002   5.84287      2.93382  27.9507     13.7062     6.02569     13.7062     
1 1 1 14 5  48 o 32.9615 4.70795 6.66739      2.3023   8.14967      2.31133  39.0809     6.45469     20.6663     6.45469     
1 1 1 14 5  49 o 31.4678 5.22031 10.2159      2.67522  4.66923      2.50622  37.1833     87.4764     19.9917     87.4764     
1 1 1 14 5  50 o 16.8112 5.31462 0.895779     3.28044  1.13281      2.39882  12.4278     285.001     1.40256     105.001     
1 1 1 14 5  51 o 17.6019 4.79295 4.25298      2.2012   -1.8688      2.29458  12.3018     223.701     3.80601     43.701      
1 1 1 14 5  52 o 21.9653 5.44674 4.28068      2.29539  3.77752      2.26521  14.8284     271.151     7.87375     91.1514     
1 1 1 14 5  53 o 22.7207 5.4968  4.47545      2.29189  4.47171      2.33486  19.254      229.89      0.489872    229.89      
1 1 1 14 5  54 o 15.3151 4.61342 -2.19256     2.20688  3.04265      2.16032  6.98317     210.598     4.00744     30.5979     
1 1 1 14 5  55 o 16.5434 4.98221 0.802389     2.28729  2.70871      2.27166  6.40921     283.045     0.495908    283.045     
1 1 1 14 5  56 o 25.1399 5.82782 5.33275      2.61493  7.55856      2.68927  26.2973     3.13152     15.3469     3.13152     
1 1 1 14 5  57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 6  0  o 67.2623 2.91442 24.94        2.99241  24.94        2.99241  60.9453     180         1.33778     8.99803e-06 
1 1 1 14 6  1  o 220.613 2.18616 270.05       6.87695  260.74       7.91978  217.585     316.756     4.58939     136.755     
1 1 1 14 6  2  o 236.384 2.08244 309.852      7.31417  299.455      7.82706  263.985     227.042     56.8232     227.042     
1 1 1 14 6  3  o 155.324 2.1004  136.469      5.03998  126.687      5.00365  140.776     325.001     23.803      145.001     
1 1 1 14 6  4  o 51.8528 3.1843  12.3582      2.46923  17.4553      2.50817  19.2297     44.8537     34.5314     224.854     
1 1 1 14 6  5  o 217.419 2.01388 262.902      6.75988  252.547      6.72373  241.717     309.694     51.5344     309.694     
1 1 1 14 6  6  o 50.779  3.17611 14.8831      2.45665  13.5212      2.45442  13.1866     298.291     49.1118     118.291     
1 1 1 14 6  7  o 37.4071 4.01278 7.55622      2.24578  8.10865      2.22931  1.71082     261.392     29.832      261.392     
1 1 1 14 6  8  o 60.2115 3.11502 18.6575      2.64019  21.1997      3.09835  9.70771     346.169     128.481     346.169     
1 1 1 14 6  9  f 107.154 2.4495  60.074       3.72902  65.4007      4.34116  134.282     210.554     0           0           
1 1 1 14 6  10 f 106.343 2.25472 61.3646      3.69322  62.1087      3.68277  73.5153     248.82      0           0           
1 1 1 14 6  11 o 186.977 2.0535  191.986      5.91585  189.277      5.90902  228.346     200.683     88.4848     200.683     
1 1 1 14 6  12 o 159.2   2.16194 141.61       5.4965   134.885      5.10343  145.338     309.192     23.2905     129.192     
1 1 1 14 6  13 o 83.7297 2.47007 37.2193      3.19398  39.4447      3.15832  46.0542     86.2972     67.0897     266.297     
1 1 1 14 6  14 o 139.629 2.12721 104.001      4.55542  108.693      4.59118  172.837     202.3       74.5182     202.3       
1 1 1 14 6  15 o 63.0292 2.81263 24.4777      2.72765  19.2468      2.67865  38.0693     76.9693     38.7513     256.969     
1 1 1 14 6  16 o 44.0457 3.56636 11.2674      2.34122  10.2531      2.40034  0.20075     238.358     75.6527     58.3578     
1 1 1 14 6  17 o 85.8463 2.50438 39.3145      3.31376  41.291       3.29113  95.6815     340.86      33.4904     340.86      
1 1 1 14 6  18 o 50.916  3.3792  18.0166      2.55175  11.0329      2.54755  37.8289     21.653      6.27415     21.653      
1 1 1 14 6  19 o 160.671 2.10817 132.489      5.18199  149.45       5.23896  125.291     220.397     66.4989     40.3967     
1 1 1 14 6  20 o 106.251 2.31242 63.5585      3.77731  59.8453      3.778    47.2669     334.066     112.835     154.066     
1 1 1 14 6  21 o 142.368 2.15722 113.445      4.73864  107.843      4.71819  157.239     135.213     36.094      135.213     
1 1 1 14 6  22 o 143.931 2.32909 109.476      5.16961  116.889      5.14985  150.67      172.273     19.0048     172.273     
1 1 1 14 6  23 o 115.089 2.74957 66.392       4.66156  78.9988      5.06948  101.837     57.6797     21.3171     237.68      
1 1 1 14 6  24 o 60.0016 3.68288 19.5889      3.3767   20.3013      3.36028  62.9332     321.771     18.3071     321.771     
1 1 1 14 6  25 o 71.2405 2.81669 24.851       3.05575  31.1289      3.07011  56.9549     5.88619     21.0451     185.886     
1 1 1 14 6  26 o 69.9616 2.78543 24.9092      3.04609  29.0294      2.9039   26.8043     270.701     80.3487     90.7008     
1 1 1 14 6  27 o 123.53  2.5735  78.0514      4.869    89.6598      4.89479  99.4492     324.221     42.2812     144.221     
1 1 1 14 6  28 o 55.2359 3.53622 14.6542      2.85775  19.5175      3.06889  59.7756     135.786     22.037      135.786     
1 1 1 14 6  29 o 67.3322 2.92786 26.4518      3.14324  23.7332      2.90047  39.1999     148.964     50.4835     328.964     
1 1 1 14 6  30 o 98.9423 2.29257 52.5692      3.48965  55.0709      3.48528  106.675     17.7379     21.912      17.7379     
1 1 1 14 6  31 o 31.7512 4.28945 5.79758      2.02727  5.90623      2.01424  11.1764     332.963     7.40995     332.963     
1 1 1 14 6  32 o 15.7317 4.41194 1.8469       1.74067  -1.11865     1.74985  1.49226     271.607     13.1552     91.6068     
1 1 1 14 6  33 o 16.9416 4.59928 -0.0965191   1.76699  2.04453      1.78054  2.81864     87.5504     16.016      267.55      
1 1 1 14 6  34 o 54.1818 2.90768 16.0372      2.40259  16.8341      2.41219  54.6554     296.764     6.81226     296.764     
1 1 1 14 6  35 o 56.859  2.87474 20.017       2.49096  16.3181      2.48781  50.6501     178.332     6.93338     358.332     
1 1 1 14 6  36 o 15.763  4.55878 -0.858564    1.79894  1.64742      1.90762  3.43495     318.171     10.632      138.171     
1 1 1 14 6  37 o 35.9287 4.39294 9.77665      2.24578  5.77448      2.34067  31.6952     164.61      2.20998     344.61      
1 1 1 14 6  38 o 58.4408 3.3023  20.4668      2.84857  18.5172      3.02477  60.1619     134.344     9.12584     134.344     
1 1 1 14 6  39 o 12.4556 4.19512 -3.98783     2.25752  -1.41927     2.24458  0.0423158   172.288     17.8813     172.288     
1 1 1 14 6  40 o 56.3335 2.94316 17.0107      2.51942  19.2102      2.54406  57.1289     196.921     7.60957     196.921     
1 1 1 14 6  41 o 24.9642 5.22012 4.45851      2.07332  3.53044      2.26192  22.9341     85.6        6.32076     85.6        
1 1 1 14 6  42 o 21.7282 5.02838 0.120047     2.11546  5.15443      2.33486  16.785      78.6863     1.12515     78.6863     
1 1 1 14 6  43 o 15.3213 4.73124 0.747831     2.10386  -0.630126    2.17474  4.95593     85.3767     9.19267     265.377     
1 1 1 14 6  44 o 15.5866 4.75988 0.387222     2.20582  0.509929     1.97069  6.79185     231.106     3.65098     51.1063     
1 1 1 14 6  45 o 21.8402 5.25114 3.02369      2.11738  3.43774      2.10983  14.0867     252.357     8.76667     72.3574     
1 1 1 14 6  46 o 24.5862 5.83642 3.57148      2.66121  5.42907      2.6471   25.9907     258.971     12.7617     258.971     
1 1 1 14 6  47 o 20.1398 5.23039 3.75359      2.15808  1.48318      2.30763  17.4764     51.9633     4.1112      51.9632     
1 1 1 14 6  48 o 17.4461 5.02822 2.353        2.21067  0.995942     2.08791  11.7181     144.766     2.13821     144.766     
1 1 1 14 6  49 o 22.4615 5.61883 2.35401      2.95798  5.15806      2.35531  14.7096     66.0773     9.43239     246.077     
1 1 1 14 6  50 o 13.5193 4.46369 -0.677337    2.34173  -0.705486    2.24384  7.60014     255.177     3.82978     75.1773     
1 1 1 14 6  51 o 20.1356 5.14618 5.16441      2.33872  0.745328     2.23902  16.6321     304.538     0.517125    304.538     
1 1 1 14 6  52 o 15.481  4.78316 1.54695      2.17965  0.595519     2.16103  7.9423      264.471     3.0728      264.471     
1 1 1 14 6  53 o 17.9275 5.14063 2.45813      2.21985  2.44182      2.20286  13.2432     195.243     4.67924     195.243     
1 1 1 14 6  54 o 18.46   5.07073 4.4738       2.30551  0.367878     2.2504   10.2079     179.4       2.29124     179.4       
1 1 1 14 6  55 o 18.8108 5.19509 4.17178      2.23491  1.69717      2.35423  12.904      189.588     0.0795199   9.58737     
1 1 1 14 6  56 o 30.4096 5.40011 7.86414      2.49003  8.53358      2.56164  34.8771     123.261     18.6341     123.261     
1 1 1 14 6  57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 7  0  o 179.598 2.05404 175.87       5.67731  175.87       5.67731  216.104     1.10001e-05 70.0656     1.10001e-05 
1 1 1 14 7  1  o 49.6464 3.31018 15.0366      2.48169  12.2107      2.49408  16.4217     210.814     117.386     210.814     
1 1 1 14 7  2  o 72.3659 2.75824 29.8722      3.19169  27.4846      2.93423  9.50303     9.32005     115.008     189.32      
1 1 1 14 7  3  o 61.6433 3.13083 23.0422      3.21548  18.7903      2.6959   22.6834     147.809     59.9382     327.809     
1 1 1 14 7  4  o 313.842 2.04465 552.225      10.2224  522.014      9.54204  328.956     241.246     30.089      241.246     
1 1 1 14 7  5  o 44.6204 3.5557  9.26609      2.36019  12.9363      2.38169  11.5308     324.044     93.3705     324.044     
1 1 1 14 7  6  o 210.784 2.0271  246.964      6.58469  237.563      6.57296  264.053     260.32      112.404     260.32      
1 1 1 14 7  7  o 55.5769 3.03279 17.0839      2.57211  16.8578      2.57867  31.8715     195.425     1.55574     15.425      
1 1 1 14 7  8  o 132.727 2.15714 102.878      4.41773  89.4968      4.3861   113.955     200.177     30.5454     20.1766     
1 1 1 14 7  9  o 17.6736 4.94846 0.818949     2.01774  1.03169      1.98257  20.1869     153.619     47.456      153.619     
1 1 1 14 7  10 o 60.8342 2.95194 16.1363      2.68524  24.9632      2.7122   24.6625     255.777     58.6638     75.7772     
1 1 1 14 7  11 o 145.689 2.11765 117.47       4.76882  114.055      4.73259  153.174     315.772     21.5905     315.772     
1 1 1 14 7  12 f 105.031 2.37713 62.1338      3.71192  58.4024      3.95323  36.0667     87.3889     0           0           
1 1 1 14 7  13 o 38.7953 4.18294 9.3042       2.28088  7.60797      2.50938  12.7321     279.672     14.755      99.6721     
1 1 1 14 7  14 o 56.3402 3.24094 18.7196      2.67455  16.2626      2.86952  10.2242     226.236     82.853      46.2363     
1 1 1 14 7  15 o 36.6933 4.4723  10.5449      2.32397  5.06961      2.39993  8.48184     71.8627     27.38       251.863     
1 1 1 14 7  16 o 166.295 2.10498 149.408      5.40464  152.284      5.37534  154.348     144.985     19.1936     324.986     
1 1 1 14 7  17 o 138.198 2.17729 102.644      4.63421  105.771      4.63191  128.624     335.236     13.0427     155.236     
1 1 1 14 7  18 o 91.9804 2.45056 42.3071      3.43598  50.3867      3.47665  119.28      78.7915     75.1923     78.7915     
1 1 1 14 7  19 o 102.778 2.47334 56.1292      4.06551  59.4052      3.73265  100.933     94.9897     5.11601     94.9897     
1 1 1 14 7  20 o 30.1057 4.91514 4.89764      2.24268  5.49579      2.22495  0.853538    102.846     39.2686     102.846     
1 1 1 14 7  21 o 110.221 2.98007 67.2387      5.5051   65.9422      4.55476  100.666     142.66      12.6487     322.66      
1 1 1 14 7  22 o 90.8361 2.6667  46.5648      3.73937  43.8791      3.7031   90.4453     257.233     6.48537     257.233     
1 1 1 14 7  23 o 27.4511 5.7889  4.43515      2.62635  4.08933      2.63926  3.99848     78.4926     6.08285     258.493     
1 1 1 14 7  24 o 30.3971 5.04357 4.19467      2.31813  6.5268       2.36178  8.78622     112.012     23.5961     292.012     
1 1 1 14 7  25 f 103.408 2.62764 56.5471      4.1704   60.8362      4.18039  105.84      328.67      0           0           
1 1 1 14 7  26 o 99.488  2.74489 58.8345      4.20984  50.1468      4.16694  97.8878     354.922     4.29935     354.922     
1 1 1 14 7  27 o 45.4158 4.28963 12.0834      3.15621  11.2587      2.68628  44.3772     45.5105     22.4999     45.5105     
1 1 1 14 7  28 o 117.159 2.32529 74.7794      4.17326  75.9113      4.20868  126.004     191.219     24.7585     191.219     
1 1 1 14 7  29 o 34.7764 4.47969 5.3315       2.33165  8.80646      2.22714  17.3991     188.032     25.8003     8.03155     
1 1 1 14 7  30 o 23.6713 4.8526  3.81991      1.88962  2.67393      1.88818  10.8033     102.87      4.43462     282.87      
1 1 1 14 7  31 o 54.5872 2.92479 16.5104      2.43275  16.6923      2.44771  61.0709     71.0716     19.7888     71.0716     
1 1 1 14 7  32 o 50.9859 3.07472 15.5677      2.38459  13.5956      2.38741  71.1267     19.1541     51.7063     19.1541     
1 1 1 14 7  33 o 38.3367 3.74168 9.28921      2.13927  7.60619      2.13966  37.613      230.597     5.85179     230.597     
1 1 1 14 7  34 f 63.2662 2.88426 23.5869      2.64348  21.2385      2.91612  43.5437     51.6351     0           0           
1 1 1 14 7  35 f 75.8428 2.69142 32.096       3.10975  32.1321      3.15658  65.7716     282.427     0           0           
1 1 1 14 7  36 o 60.1893 2.8109  20.4756      2.59986  20.189       2.58151  70.4898     176.41      27.3946     176.41      
1 1 1 14 7  37 o 73.5644 2.58585 26.445       2.89359  34.3194      2.90816  85.1418     141.829     29.846      141.829     
1 1 1 14 7  38 o 52.1426 3.1604  16.6882      2.5856   14.3674      2.4384   43.0847     142.278     12.9981     322.278     
1 1 1 14 7  39 o 40.9676 3.97282 7.95884      2.45658  12.1045      2.25791  28.7041     108.21      19.4693     288.21      
1 1 1 14 7  40 o 32.7265 5.19646 5.56131      2.50402  8.21401      2.63415  28.9284     161.817     0.822683    341.817     
1 1 1 14 7  41 o 26.8197 5.43438 2.84944      2.45323  6.55211      2.51932  24.929      286.538     5.66865     286.538     
1 1 1 14 7  42 o 17.173  4.77738 -0.578507    1.91364  2.63254      2.07622  5.9876      292.045     0.316212    292.045     
1 1 1 14 7  43 o 15.3881 4.69356 1.37448      2.06911  -1.36683     2.19487  5.7017      140.973     7.67924     320.973     
1 1 1 14 7  44 o 24.0604 5.2323  6.06968      2.47946  1.90404      2.05534  15.5301     343.224     10.3651     163.224     
1 1 1 14 7  45 o 17.1904 5.24246 -0.654616    2.55716  2.14596      2.64443  2.86038     238.855     1.34777     238.855     
1 1 1 14 7  46 o 22.2824 5.44996 2.62035      2.35383  4.41752      2.30878  19.1632     165.322     1.02496     165.322     
1 1 1 14 7  47 o 16.2413 5.00596 1.34292      2.24385  0.0173309    2.54266  9.85143     164.409     0.748367    164.409     
1 1 1 14 7  48 o 27.9363 5.31466 7.48341      2.44116  4.24477      2.3895   32.7906     37.6801     21.3879     37.6801     
1 1 1 14 7  49 f 17.1005 5.09268 3.20527      2.58605  -0.218908    2.12431  23.6402     111.27      0           0           
1 1 1 14 7  50 o 15.5664 4.82714 2.12063      2.28147  -1.07541     2.40251  10.9581     332.602     2.93205     332.602     
1 1 1 14 7  51 f 30.9136 5.05691 6.09951      2.39216  8.48228      2.36665  16.3282     220.288     0           0           
1 1 1 14 7  52 o 14.5948 4.62979 0.856034     2.128    0.337942     2.19859  6.14911     31.3407     1.91546     31.3407     
1 1 1 14 7  53 o 20.3958 5.53142 4.35794      2.54813  3.00556      2.34064  15.3634     252.367     0.0046309   252.378     
1 1 1 14 7  54 o 12.7144 4.2122  0.779513     2.15067  -2.69726     2.13579  0.747199    212.969     1.49902     32.9694     
1 1 1 14 7  55 o 19.6909 5.33612 2.21283      2.39724  4.97154      2.37     13.3957     188.647     3.69418     8.64674     
1 1 1 14 7  56 o 20.4885 5.50188 4.3273       2.39844  4.12696      2.38988  17.433      353.794     1.96853     353.794     
1 1 1 14 8  0  o 183.522 2.05576 183.642      5.80635  183.642      5.80635  232.267     180         95.7326     180         
1 1 1 14 8  1  o 109.879 2.27052 65.8379      3.84069  65.9779      3.83457  110.363     184.512     13.566      184.512     
1 1 1 14 8  2  o 19.8104 5.05805 2.77218      2.06264  0.417618     2.08752  10.7609     72.2157     26.2591     72.2157     
1 1 1 14 8  3  o 148.43  2.12168 119.946      4.84336  120.334      4.85548  172.394     246.96      57.6763     246.96      
1 1 1 14 8  4  o 132.51  2.16482 95.3057      4.4073   96.2122      4.42739  105.663     309.827     46.6782     129.827     
1 1 1 14 8  5  o 81.2833 2.50653 33.8872      3.1069   38.4266      3.1455   86.6819     243.361     54.5069     243.361     
1 1 1 14 8  6  o 62.7503 2.84948 21.4855      2.7503   21.694       2.72719  45.7802     188.358     11.5805     8.35843     
1 1 1 14 8  7  o 146.245 2.19764 125.241      5.1558   108.368      4.74422  140.136     305.454     5.48361     125.454     
1 1 1 14 8  8  o 74.7518 2.82538 28.432       3.42925  32.8487      2.98936  50.0127     4.81945     37.1601     184.819     
1 1 1 14 8  9  o 77.2395 2.59097 32.5889      3.08602  32.6864      3.05973  20.0247     170.21      106.69      350.21      
1 1 1 14 8  10 o 156.971 2.10786 132.635      5.09819  136.143      5.09125  191.159     202.074     76.0042     202.074     
1 1 1 14 8  11 o 45.7108 3.80918 14.6076      2.48131  8.94143      2.59543  9.02556     134.679     59.3829     314.679     
1 1 1 14 8  12 o 143.612 2.24832 109.053      5.14458  116.039      4.77771  155.886     312.061     31.306      312.061     
1 1 1 14 8  13 o 36.6229 5.09421 13.7203      2.826    2.37196      2.95858  4.6255      251.575     4.31084     71.5752     
1 1 1 14 8  14 o 91.9371 2.65962 49.9916      4.08574  42.6205      3.43473  72.1538     103.228     30.9653     283.228     
1 1 1 14 8  15 o 99.865  2.38698 56.0025      3.65884  53.0069      3.6696   71.8357     309.39      48.5519     129.39      
1 1 1 14 8  16 o 178.778 2.16938 181.851      5.78502  167.084      6.13163  183.009     97.681      14.4756     97.681      
1 1 1 14 8  17 o 111.326 2.50787 67.4353      3.95402  68.0692      4.61071  107.941     301.378     2.01718     301.378     
1 1 1 14 8  18 o 40.0686 4.32498 8.90416      2.54806  9.14043      2.62031  15.4067     326.603     101.011     326.603     
1 1 1 14 8  19 o 116.935 2.4631  75.7953      4.44556  73.733       4.41472  108.049     275.596     10.7266     95.5965     
1 1 1 14 8  20 o 58.6303 3.39524 20.2945      3.02516  17.6921      3.03854  22.046      301.006     65.4463     121.006     
1 1 1 14 8  21 o 38.6507 4.73682 5.94959      2.67301  11.3917      2.63538  8.0622      6.12592     85.9472     6.12593     
1 1 1 14 8  22 o 21.5312 5.30435 2.64375      2.18632  1.97934      2.14205  14.7962     45.6197     57.8924     45.6197     
1 1 1 14 8  23 o 70.0935 3.03276 27.573       3.25983  26.5408      3.25485  57.2638     174.711     17.3437     354.711     
1 1 1 14 8  24 o 110.383 2.59609 69.9114      4.42062  63.8248      4.38711  125.095     176.604     37.8826     176.604     
1 1 1 14 8  25 o 63.8334 3.18924 20.1427      3.08791  25.059       3.11359  56.0411     188.439     5.82703     8.43895     
1 1 1 14 8  26 o 17.4852 4.87102 0.0150871    1.96402  1.75167      1.99793  4.20028     46.1423     16.5297     46.1423     
1 1 1 14 8  27 o 53.4789 3.36788 13.6569      2.75773  18.3735      2.65936  57.792      119.264     21.0743     119.264     
1 1 1 14 8  28 o 70.5262 2.73173 25.9788      2.95767  29.0116      2.94509  72.662      280.496     12.0392     280.496     
1 1 1 14 8  29 o 56.7789 3.15031 16.3797      2.79075  19.6239      2.63615  57.7875     323.224     9.72666     323.224     
1 1 1 14 8  30 o 73.3781 2.6033  29.9219      2.86757  29.6601      2.99464  50.7125     94.5947     39.9866     274.595     
1 1 1 14 8  31 o 41.0244 3.77762 9.51541      2.17321  9.69591      2.47614  35.9434     139.22      3.68663     319.22      
1 1 1 14 8  32 o 19.3958 4.93062 0.191213     2.14856  2.97058      1.91705  3.18981     73.6452     0.0734485   253.645     
1 1 1 14 8  33 o 53.742  2.95963 16.6608      2.43186  15.7468      2.42661  48.6009     158.547     4.36413     338.547     
1 1 1 14 8  34 f 31.1792 4.68265 5.81209      2.06142  5.85613      2.29513  51.2164     346.454     0           0           
1 1 1 14 8  35 o 11.7759 3.87551 -1.55847     1.67615  -1.19658     1.73685  9.133       22.1164     33.9871     22.1164     
1 1 1 14 8  36 o 20.9298 4.78749 0.973801     1.89095  3.82711      1.89724  8.97709     335.104     16.9136     155.104     
1 1 1 14 8  37 o 35.1844 4.14678 5.76875      2.13967  9.08811      2.12453  29.2269     162.865     6.51237     342.865     
1 1 1 14 8  38 o 20.1693 4.93974 0.376955     2.24314  3.54912      1.91103  11.3306     310.96      11.221      130.96      
1 1 1 14 8  39 o 33.3965 4.40163 9.30457      2.15524  4.62869      2.14793  15.4199     60.2129     30.8824     240.213     
1 1 1 14 8  40 o 22.9766 5.10524 3.44756      2.01593  3.24144      2.01088  18.1698     162.848     0.0328519   342.85      
1 1 1 14 8  41 o 14.2259 4.5413  -0.62471     2.07313  -0.532378    2.15291  3.31719     334.604     5.61562     154.604     
1 1 1 14 8  42 o 23.9482 5.72298 4.71365      2.46105  2.72481      2.71602  20.4516     178.362     4.13604     178.362     
1 1 1 14 8  43 o 55.3927 3.82479 18.6003      3.05151  18.6186      3.37678  65.7718     228.21      28.919      228.21      
1 1 1 14 8  44 o 19.2144 5.42045 1.49427      2.43895  2.62113      2.43256  14.5078     89.0996     3.11606     89.0996     
1 1 1 14 8  45 o 18.9059 5.39319 2.1897       2.54058  1.96623      2.29855  10.4779     274.851     10.5396     94.8508     
1 1 1 14 8  46 o 16.826  4.98671 1.28399      2.18299  1.2633       2.166    11.6673     334.348     1.12115     334.348     
1 1 1 14 8  47 o 13.5785 4.44513 -0.274571    2.19269  -1.21263     2.22493  4.2786      100.282     9.23622     280.282     
1 1 1 14 8  48 o 13.8798 4.47105 0.396592     2.13475  -0.885361    2.10704  7.27761     224.345     4.2296      44.3448     
1 1 1 14 8  49 o 18.5866 4.99256 -0.729944    2.32837  4.44518      2.2793   3.53286     87.3843     25.3759     267.384     
1 1 1 14 8  50 o 14.3832 4.67684 -0.718979    2.3293   0.593898     2.43871  4.15425     325.572     1.43761     325.572     
1 1 1 14 8  51 o 17.3202 5.21781 1.93786      2.21173  2.01042      2.69832  10.8367     228.908     5.46196     48.9083     
1 1 1 14 8  52 f 33.9771 5.1608  11.5272      2.5333   6.78656      2.78372  24.6221     324.934     0           0           
1 1 1 14 8  53 o 20.6046 5.44165 3.47368      2.27068  3.91477      2.37024  15.197      308.6       4.22373     308.6       
1 1 1 14 8  54 o 15.0508 4.76103 0.66182      2.27915  1.29029      2.26055  4.48132     300.761     0.670725    120.761     
1 1 1 14 8  55 o 12.9804 4.32432 0.0736141    2.21726  -0.51994     2.26339  4.96476     213.763     6.41442     33.763      
1 1 1 14 8  56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 9  0  o 339.417 1.97901 627.8        10.342   627.8        10.342   345.584     180         11.7023     180         
1 1 1 14 9  1  o 113.636 2.25748 71.9048      3.95587  69.0971      3.93608  123.63      313.393     31.8414     313.393     
1 1 1 14 9  2  o 117.72  2.2366  67.0396      4.00306  84.7208      4.06599  133.056     101.157     42.5818     101.157     
1 1 1 14 9  3  o 76.3425 2.7261  31.7115      3.07949  32.0905      3.30641  64.8512     2.35822     7.72506     182.358     
1 1 1 14 9  4  o 191.074 2.12957 192.247      6.45817  206.101      6.04675  172.055     16.9119     33.1926     196.912     
1 1 1 14 9  5  o 47.6023 3.74764 10.9783      2.77726  14.2398      2.53508  18.4546     281.018     37.4739     101.018     
1 1 1 14 9  6  o 106.845 2.30846 62.2853      3.7846   62.3925      3.80265  87.4552     297.183     30.4816     117.183     
1 1 1 14 9  7  o 59.8019 3.2343  19.186       2.72163  20.1474      3.18102  46.4657     173.475     7.90049     353.475     
1 1 1 14 9  8  f 71.9296 2.80844 26.8553      3.17866  29.8704      2.99887  71.756      348.537     0           0           
1 1 1 14 9  9  o 88.711  2.62635 41.4479      3.59591  44.6626      3.55822  98.1696     287.519     32.7833     287.519     
1 1 1 14 9  10 o 123.07  2.38429 85.4357      4.54444  80.0416      4.48237  84.0685     207.179     72.0008     27.1792     
1 1 1 14 9  11 o 183.942 2.38949 206.64       6.81488  163.881      6.66947  213.722     270.91      66.3268     270.91      
1 1 1 14 9  12 o 161.524 2.61293 138.488      7.46079  146.578      5.27468  184.271     35.0815     53.0863     35.0815     
1 1 1 14 9  13 o 103.416 2.51191 60.2636      4.26341  56.6774      3.72022  127.487     227.425     62.4072     227.425     
1 1 1 14 9  14 o 65.8627 3.02171 26.1718      3.23462  21.57        2.86465  34.072      148.363     52.8049     328.363     
1 1 1 14 9  15 o 17.6857 5.16166 0.707844     2.09646  0.277644     2.47245  19.9585     39.0396     50.3869     39.0396     
1 1 1 14 9  16 o 69.7846 2.82086 24.2563      3.01977  29.2763      2.99363  47.5082     76.4371     33.7294     256.437     
1 1 1 14 9  17 o 175.009 2.26212 169.498      6.1158   164.936      6.07639  197.778     66.6901     53.0449     66.6901     
1 1 1 14 9  18 o 55.5507 3.51194 16.2312      3.00306  17.896       2.93118  47.8996     34.3819     0.247841    214.381     
1 1 1 14 9  19 o 118.689 2.48668 77.9671      4.55674  76.1719      4.52283  124.723     172.247     19.5615     172.247     
1 1 1 14 9  20 o 52.1044 3.38754 15.5628      2.58498  14.4918      2.77526  47.5552     108.374     4.17128     108.374     
1 1 1 14 9  21 o 121.054 2.44735 77.8129      4.21688  82.6631      4.88995  103.143     113.495     29.1834     293.495     
1 1 1 14 9  22 o 49.1237 4.14523 12.8537      2.8136   14.1913      3.33075  45.7319     175.52      10.4356     175.52      
1 1 1 14 9  23 o 113.976 2.78764 79.8692      4.89487  63.2965      4.83188  115.286     107.884     10.7702     107.884     
1 1 1 14 9  24 o 29.6968 5.12923 4.64475      2.32223  5.62224      2.33716  9.10508     219.549     19.7378     39.5485     
1 1 1 14 9  25 o 76.5891 2.74137 30.874       3.40301  33.7758      3.00488  80.2135     336.696     16.5914     336.696     
1 1 1 14 9  26 o 150.255 2.26461 128.379      5.25816  119.268      5.21746  144.658     135.368     3.07333     315.368     
1 1 1 14 9  27 o 81.0196 2.65531 35.7525      3.195    36.667       3.41124  89.3701     353.113     24.8289     353.113     
1 1 1 14 9  28 o 72.5589 3.00094 27.4805      2.98381  31.016       3.68786  64.5794     111.335     9.27891     291.335     
1 1 1 14 9  29 o 74.4573 2.99138 30.6361      3.54778  31.0141      3.27557  55.9986     211.727     31.0869     31.7274     
1 1 1 14 9  30 o 19.9207 4.89909 2.242        1.82972  1.95295      1.85485  1.31939     14.8583     35.4829     14.8584     
1 1 1 14 9  31 o 47.5668 3.22457 10.2734      2.25992  15.474       2.33249  56.1025     69.1352     25.1835     69.1352     
1 1 1 14 9  32 o 13.811  4.26632 -0.827755    1.72641  0.265699     1.74571  3.02801     64.682      22.478      64.682      
1 1 1 14 9  33 o 22.7723 4.86909 2.08108      1.89298  4.00882      1.91805  11.0644     145.806     15.0548     325.806     
1 1 1 14 9  34 o 15.7553 4.61605 0.763447     1.88456  0.373905     1.78249  3.49679     32.8749     9.52736     212.875     
1 1 1 14 9  35 o 28.6044 4.97698 6.5712       2.45656  3.62711      1.9529   14.3749     256.927     22.5505     76.9273     
1 1 1 14 9  36 o 24.7379 4.84424 5.45837      1.986    1.82621      2.16024  11.1578     346.63      21.7441     166.63      
1 1 1 14 9  37 o 26.646  4.861   4.90345      2.03403  3.93382      1.99436  23.0603     34.7599     0.705866    214.76      
1 1 1 14 9  38 o 26.6297 4.82591 5.55128      2.04233  3.38559      2.00193  16.0995     152.453     15.1879     332.453     
1 1 1 14 9  39 o 21.211  5.07064 2.47307      1.9797   3.00629      1.96678  2.74974     359.038     31.2666     179.038     
1 1 1 14 9  40 o 38.3106 3.99246 7.79521      2.26597  9.93373      2.27186  29.4533     37.7972     11.3456     217.797     
1 1 1 14 9  41 o 28.4133 5.00538 5.17804      2.08486  5.29458      2.28018  25.6108     92.4057     2.87905     92.4057     
1 1 1 14 9  42 o 63.5212 3.89149 28.0611      3.74352  20.9573      3.71635  77.9276     250.157     37.7907     250.157     
1 1 1 14 9  43 o 40.2873 5.00113 9.93252      2.98591  11.5755      2.98167  44.2855     209.329     15.8788     209.329     
1 1 1 14 9  44 o 12.3237 4.14954 -1.97376     2.09262  -1.76571     2.23494  3.16113     323.282     9.32456     143.282     
1 1 1 14 9  45 o 21.961  5.53218 5.34237      2.55405  0.901425     2.71447  20.3971     63.8529     5.90515     63.8529     
1 1 1 14 9  46 o 19.7869 5.31449 3.66059      2.33076  1.51162      2.26791  12.4598     266.463     7.17432     86.4631     
1 1 1 14 9  47 o 23.221  5.37484 2.58869      2.30982  5.52734      2.34776  12.0959     111.733     16.2555     291.733     
1 1 1 14 9  48 o 24.3026 5.52533 4.17068      2.33855  5.23315      2.37977  18.4667     246.334     5.54866     66.3344     
1 1 1 14 9  49 o 15.1734 4.72505 0.776913     2.14881  0.768361     2.14055  9.6184      100.233     2.82913     280.233     
1 1 1 14 9  50 o 21.9974 5.35835 6.01345      2.43381  1.66956      2.47809  14.9802     52.684      7.34884     232.684     
1 1 1 14 9  51 o 16.1614 4.93688 2.24489      2.18628  0.371471     2.46182  11.1947     350.296     2.60956     350.296     
1 1 1 14 9  52 o 15.8694 4.87585 0.912294     2.19287  1.85128      2.25773  6.82007     297.206     0.750109    297.206     
1 1 1 14 9  53 o 13.6846 4.47448 -0.905051    2.17931  0.742967     2.28491  2.89499     217.589     7.89807     37.5895     
1 1 1 14 9  54 f 14.5996 4.6629  -0.539323    2.2538   2.05324      2.3175   10.6516     96.0732     0           0           
1 1 1 14 9  55 o 13.5728 4.49213 1.15642      2.29898  -1.52198     2.55219  7.09155     203.544     4.64007     23.5436     
1 1 1 14 10 0  o 49.4855 3.46711 13.7512      2.57815  13.7512      2.57815  9.43578     1.05541e-05 78.493      180         
1 1 1 14 10 1  o 177.463 2.08659 172.654      5.70937  170.865      5.69472  174.214     155.79      0.353608    335.791     
1 1 1 14 10 2  o 92.5896 2.44104 47.9625      3.4754   45.7509      3.47177  111.803     130.173     54.7563     130.173     
1 1 1 14 10 3  o 155.391 2.12497 134.25       5.09283  129.177      5.07557  171.31      160.564     39.4878     160.564     
1 1 1 14 10 4  o 125.638 2.30528 78.7963      4.27117  93.8414      4.64381  113.278     27.2146     17.145      207.215     
1 1 1 14 10 5  o 36.2204 4.63951 6.80968      2.55105  8.05506      2.41917  19.1397     338.859     98.1133     338.859     
1 1 1 14 10 6  o 110.19  2.40221 62.4598      4.17621  70.3042      3.93736  113.798     74.2775     17.1699     74.2775     
1 1 1 14 10 7  o 62.6463 3.17384 20.5166      3.0356   22.6378      3.04154  59.4956     294.005     17.0592     294.005     
1 1 1 14 10 8  o 130.917 2.36499 92.4105      4.75776  94.778       4.76956  135.826     359.708     18.5116     359.708     
1 1 1 14 10 9  o 185.501 2.22097 184.079      6.34074  191.433      6.34604  175.079     18.3843     14.226      198.384     
1 1 1 14 10 10 o 17.4007 5.01143 1.7606       2.26357  -1.30581     2.21774  21.7678     334.988     54.2429     334.988     
1 1 1 14 10 11 o 126.777 2.38368 85.5677      4.62961  90.0418      4.66767  123.918     232.485     3.09999     232.485     
1 1 1 14 10 12 o 109.026 2.49698 62.4597      4.19979  67.5351      4.16712  107.657     87.2628     7.47365     87.2628     
1 1 1 14 10 13 o 200.774 2.20674 223.563      6.83752  216.45       6.80678  202.479     160.926     11.077      160.926     
1 1 1 14 10 14 o 119.066 2.59181 72.3219      4.94484  82.9035      4.48792  114.608     334.883     0.0122666   334.901     
1 1 1 14 10 15 o 49.585  4.28894 10.4171      3.11876  17.4667      3.08368  33.4461     184.62      15.7085     184.62      
1 1 1 14 10 16 o 39.8285 4.96918 8.86749      3.15685  9.14215      2.69645  4.90786     71.9017     57.604      251.902     
1 1 1 14 10 17 o 123.16  2.69775 82.9191      5.51698  83.158       4.66543  138.306     347.929     38.8913     347.929     
1 1 1 14 10 18 o 69.4302 3.20302 24.62        3.52131  28.5289      3.24736  56.5061     124.914     17.276      304.914     
1 1 1 14 10 19 o 127.278 2.23332 90.7808      4.37559  86.3548      4.37304  133.961     2.65702     21.2692     2.65702     
1 1 1 14 10 20 o 72.0932 2.7551  24.7113      3.01994  32.6764      3.02857  42.3194     279.036     52.0569     99.036      
1 1 1 14 10 21 o 130.035 2.36312 92.7179      4.75018  92.4647      4.70575  124.507     140.193     2.91452     320.193     
1 1 1 14 10 22 o 69.3248 3.32877 26.4403      3.5406   26.7188      3.52414  61.7761     327.588     4.91284     147.588     
1 1 1 14 10 23 o 77.1893 2.88271 32.6232      3.39959  33.0463      3.42909  82.6178     94.1221     21.3007     94.1221     
1 1 1 14 10 24 o 32.8478 5.12024 6.9125       2.20664  5.62115      2.8358   19.2436     20.0734     1.85834     200.073     
1 1 1 14 10 25 o 30.6514 5.34847 4.03528      2.16114  7.2034       2.90704  9.6663      176.614     73.1665     176.614     
1 1 1 14 10 26 o 40.0515 4.36667 11.6682      2.39497  6.9776       2.62843  22.0375     80.778      27.7237     260.778     
1 1 1 14 10 27 o 47.4108 3.46306 12.4689      2.42634  12.7909      2.55703  31.9331     330.739     24.0743     150.739     
1 1 1 14 10 28 o 19.4133 4.89156 1.19795      1.85135  2.51658      1.89749  4.90859     9.5497      16.0865     189.55      
1 1 1 14 10 29 o 52.9133 3.14698 13.8497      2.52174  17.6498      2.52657  53.1982     14.4119     7.31298     14.4119     
1 1 1 14 10 30 o 14.4774 4.35043 0.783713     1.72867  -0.790489    1.74597  3.77077     191.877     26.2949     191.877     
1 1 1 14 10 31 o 38.5832 3.85615 10.3841      2.26508  6.94469      2.13568  38.5348     77.0527     7.8677      77.0527     
1 1 1 14 10 32 o 33.8538 4.6785  4.55042      2.52159  9.36422      2.1053   19.7499     80.1634     21.9498     260.163     
1 1 1 14 10 33 o 20.3962 4.76395 0.841616     1.8689   3.56971      1.86636  6.10955     19.1406     20.7162     199.141     
1 1 1 14 10 34 o 22.8063 4.97916 2.90523      1.94564  3.32309      1.90896  9.16453     154.649     20.502      334.649     
1 1 1 14 10 35 o 88.7651 2.42071 48.6757      3.29939  39.4038      3.27865  103.594     93.4245     38.0896     93.4245     
1 1 1 14 10 36 o 19.3907 4.97366 2.05649      1.90023  2.00372      1.92967  8.72268     136.43      15.3202     316.43      
1 1 1 14 10 37 o 15.6009 4.59698 -0.0771151   1.83888  1.16179      1.87675  5.74093     333.966     10.5417     153.966     
1 1 1 14 10 38 o 17.0248 4.82485 1.12376      1.91343  1.23326      1.93315  1.15227     218.728     0.181579    218.728     
1 1 1 14 10 39 o 15.5053 4.59589 1.17202      1.84467  -0.169259    1.922    2.0524      260.964     18.6689     80.9635     
1 1 1 14 10 40 o 15.2149 4.63579 1.22258      2.12588  -0.925226    1.90951  4.68013     325.059     7.73014     145.059     
1 1 1 14 10 41 o 42.3165 4.37653 12.631       2.74942  9.73409      2.7385   50.5487     258.914     25.3373     258.914     
1 1 1 14 10 42 o 18.0008 5.18191 0.251246     2.29316  2.5453       2.3606   11.166      191.009     1.88169     11.009      
1 1 1 14 10 43 o 34.1324 5.03154 10.44        2.59507  5.62136      2.56101  32.285      243.77      3.35101     243.77      
1 1 1 14 10 44 o 18.9559 5.72412 -0.08374     2.80836  3.36635      3.22455  15.4588     106.801     5.95421     106.801     
1 1 1 14 10 45 o 23.698  5.32078 2.29013      2.30811  5.81619      2.36013  22.9615     251.544     15.0284     251.544     
1 1 1 14 10 46 o 16.1884 4.86377 0.110325     2.08163  1.96816      2.22091  8.85655     268.034     2.08343     268.034     
1 1 1 14 10 47 o 23.78   5.65624 4.63095      2.43072  4.46987      2.46795  18.3754     42.6993     4.15358     222.699     
1 1 1 14 10 48 o 30.4121 5.48793 5.76761      2.58067  8.86744      2.67105  28.5819     99.4179     3.45513     99.4179     
1 1 1 14 10 49 o 16.4051 4.94    1.80622      2.16928  1.17977      2.22812  7.93247     94.7875     10.2207     274.787     
1 1 1 14 10 50 o 14.1156 4.61236 -0.927571    2.41263  0.63189      2.3419   5.46844     46.3414     10.1068     226.341     
1 1 1 14 10 51 o 16.6191 5.06843 2.36379      2.28225  0.853332     2.5523   9.37925     276.581     5.55376     96.5814     
1 1 1 14 10 52 o 14.9366 4.743   1.12508      2.34862  0.431934     2.19177  2.0605      251.94      0.66634     71.9398     
1 1 1 14 10 53 o 20.871  5.37416 5.58888      2.41664  2.21411      2.36048  16.4908     223.961     5.79408     223.961     
1 1 1 14 10 54 o 13.3126 4.42286 -1.02305     2.48206  0.662768     2.22542  5.93273     20.4967     1.55867     200.497     
1 1 1 14 10 55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 11 0  o 68.191  2.91267 25.6367      3.03268  25.6367      3.03268  15.2873     180         104.686     360         
1 1 1 14 11 1  o 149.983 2.16258 127.088      5.00474  118.413      4.9807   169.432     164.79      48.3951     164.79      
1 1 1 14 11 2  o 118.486 2.28892 74.6203      4.16996  78.7254      4.17252  127.503     234.381     28.6948     234.381     
1 1 1 14 11 3  o 112.888 2.30978 67.412       4.01623  71.8148      4.00217  108.338     189.212     0.78464     189.212     
1 1 1 14 11 4  o 44.903  3.92423 12.6475      2.77114  9.86897      2.53078  22.4607     3.88238     20.2273     183.882     
1 1 1 14 11 5  o 56.7086 3.32836 17.2464      2.9663   18.1831      2.7839   45.3441     81.5518     0.871556    261.552     
1 1 1 14 11 6  o 169.098 2.26307 151.183      5.88574  160.952      5.89593  196.697     316.141     64.7323     316.141     
1 1 1 14 11 7  o 141.969 2.3301  115.186      5.09341  104.938      5.08659  145.626     119.216     16.6129     119.216     
1 1 1 14 11 8  f 57.4816 3.36812 18.8824      2.94964  17.5411      2.95576  98.351      7.08173     0           0           
1 1 1 14 11 9  o 136.388 2.35845 104.797      4.96847  98.4026      4.93139  84.609      330.744     96.0234     150.744     
1 1 1 14 11 10 o 68.8725 3.03638 25.0666      3.21749  27.037       3.18591  73.1129     356.549     32.9174     356.549     
1 1 1 14 11 11 o 167.198 2.27996 146.552      5.875    158.778      5.85748  155.859     295.827     14.2224     115.827     
1 1 1 14 11 12 o 57.9231 3.3471  16.9633      2.94331  20.093       2.95882  35.2256     302.251     32.6455     122.251     
1 1 1 14 11 13 o 63.2605 3.73097 19.2681      3.66952  25.1357      3.43995  51.1942     221.237     11.1119     41.2373     
1 1 1 14 11 14 o 96.2748 3.08882 51.1387      4.86364  50.5657      4.25298  76.9135     109.767     30.2939     289.767     
1 1 1 14 11 15 o 112.274 2.71637 71.0551      4.71919  67.0393      4.65819  118.286     7.01537     20.9745     7.01537     
1 1 1 14 11 16 o 74.7525 3.18209 34.7526      3.65075  26.9788      3.60064  71.5978     255.097     3.35656     255.097     
1 1 1 14 11 17 o 86.7103 2.67427 42.8311      3.56902  39.6588      3.55195  77.9582     259.391     8.92363     79.3909     
1 1 1 14 11 18 f 149.464 2.30668 121.656      5.3236   122.649      5.29419  162.794     73.9622     0           0           
1 1 1 14 11 19 o 89.4184 3.03213 41.7549      4.35361  46.2779      3.92894  123.389     227.306     84.6274     227.306     
1 1 1 14 11 20 o 21.2726 5.71445 0.203992     2.80945  2.93748      2.58872  3.574       158.383     20.5041     158.383     
1 1 1 14 11 21 f 22.7308 6.00554 1.12952      2.39911  3.54571      3.29853  27.6228     99.3065     0           0           
1 1 1 14 11 22 o 20.0951 4.79331 3.81613      2.01538  -1.01392     2.17543  1.48507     49.7635     12.1605     49.7635     
1 1 1 14 11 23 o 32.3818 4.70905 5.63683      2.17927  6.53408      2.36249  18.9295     6.40827     8.57502     186.408     
1 1 1 14 11 24 f 82.1964 2.68539 35.1834      3.50757  39.3879      3.24204  77.6963     206.553     0           0           
1 1 1 14 11 25 f 32.1301 4.66345 7.27795      2.24858  4.8469       2.21523  41.5498     29.9998     0           0           
1 1 1 14 11 26 o 44.6703 3.55187 9.79764      2.33484  12.8094      2.44083  32.7493     208.435     16.527      28.4346     
1 1 1 14 11 27 o 25.8228 4.90206 4.4281       1.98732  3.46242      2.01218  12.9963     353.76      17.2314     173.76      
1 1 1 14 11 28 o 68.3363 3.14891 30.8119      3.49035  21.8171      3.08248  61.295      24.2665     7.37591     204.267     
1 1 1 14 11 29 o 24.2049 5.6204  3.44922      2.44798  3.33185      2.39364  11.0604     41.9279     17.6454     221.928     
1 1 1 14 11 30 f 16.9145 4.77264 1.17869      1.793    0.751013     1.96776  25.6305     198.009     0           0           
1 1 1 14 11 31 o 29.8046 4.52755 5.32593      1.99908  5.30058      2.03283  24.3021     190.239     2.4991      10.2388     
1 1 1 14 11 32 o 44.5302 3.391   12.1978      2.29246  10.4669      2.27318  42.1056     25.6572     2.18398     25.6572     
1 1 1 14 11 33 o 14.2893 4.40944 -0.783339    1.93442  0.327981     1.77518  7.06012     321.74      36.3264     321.74      
1 1 1 14 11 34 o 30.4895 4.53347 5.15763      2.06698  6.11145      2.0559   31.7742     339.804     10.7571     339.804     
1 1 1 14 11 35 o 12.7086 4.10279 -0.962737    1.78438  -0.845058    1.78717  3.4191      148.226     5.0834      328.226     
1 1 1 14 11 36 o 23.5322 5.03154 2.75776      1.96688  4.15205      2.03523  8.53828     96.8533     24.3377     276.853     
1 1 1 14 11 37 f 46.4613 3.40875 13.5928      2.41367  11.5976      2.38081  42.5026     4.8811      0           0           
1 1 1 14 11 38 o 29.8049 4.69703 4.21061      2.13269  7.07894      2.11319  26.0566     357.484     0.398394    357.484     
1 1 1 14 11 39 o 34.6931 4.30583 7.20998      2.21773  7.60739      2.21423  36.4082     119.522     12.12       119.522     
1 1 1 14 11 40 o 17.15   4.96154 2.31623      2.20864  -0.528837    2.18188  6.63276     274.703     11.8642     94.7032     
1 1 1 14 11 41 o 18.8223 5.31682 1.59303      2.29729  2.14858      2.36406  9.44345     177.389     10.457      357.389     
1 1 1 14 11 42 o 17.3066 4.96107 0.966731     2.02425  1.9342       2.11662  10.1916     334.049     5.41824     154.049     
1 1 1 14 11 43 o 15.6541 4.79976 -2.8351      2.38187  2.27862      2.36567  10.0732     169.659     1.8493      169.659     
1 1 1 14 11 44 o 44.6732 5.01916 18.7862      3.5068   9.20977      3.01061  50.5998     327.464     20.361      327.464     
1 1 1 14 11 45 o 25.4438 5.68463 5.69403      2.49922  4.3294       2.53969  24.072      164.862     6.52312     164.862     
1 1 1 14 11 46 o 12.8454 4.2617  -0.456938    2.02108  -1.83331     2.30138  4.08804     130.645     10.2969     310.645     
1 1 1 14 11 47 o 18.4899 5.30346 2.12114      2.27986  2.61425      2.42903  16.0881     126.877     4.52448     126.877     
1 1 1 14 11 48 o 15.6803 4.85747 -0.945393    2.34217  2.3155       2.35618  7.43794     328.143     9.64561     148.143     
1 1 1 14 11 49 o 16.4464 5.04206 1.23872      2.36506  1.72993      2.3621   11.0616     135.569     1.51362     315.569     
1 1 1 14 11 50 o 16.0136 5.01042 -0.0891769   2.42662  2.38712      2.54572  6.78506     242.75      2.89875     242.75      
1 1 1 14 11 51 o 16.87   5.2416  1.60521      2.45418  1.98891      2.79445  6.51147     334.037     0.942839    334.037     
1 1 1 14 11 52 o 14.2294 4.60613 0.885989     2.17483  -0.369192    2.432    3.04737     24.6478     1.77854     204.648     
1 1 1 14 11 53 o 16.8522 5.16305 2.8477       2.59277  1.96563      2.34639  8.2433      251.48      3.08495     251.48      
1 1 1 14 11 54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 12 0  o 28.6699 6.3277  5.63985      2.44935  5.63985      2.44935  11.4283     360         61.2961     360         
1 1 1 14 12 1  o 179.577 2.10826 171.528      5.81732  180.408      5.84034  225.555     234.8       103.657     234.8       
1 1 1 14 12 2  f 90.4155 2.5456  41.1592      3.51866  48.4192      3.53928  63.3357     145.898     0           0           
1 1 1 14 12 3  o 66.6674 3.03278 27.7117      3.19623  21.3081      2.98059  27.2585     271.283     67.8277     91.283      
1 1 1 14 12 4  o 127.415 2.40872 91.4025      4.74813  86.041       4.69371  130.9       149.317     17.9572     149.317     
1 1 1 14 12 5  o 67.6    3.14905 27.6721      3.26084  22.6714      3.23504  54.0944     243.273     12.0322     63.2734     
1 1 1 14 12 6  o 87.3789 2.75641 47.0896      3.71763  36.8443      3.64672  82.3828     216.877     2.75077     216.877     
1 1 1 14 12 7  o 115.987 2.45549 74.7103      4.39023  72.3701      4.37068  128.569     266.208     37.0234     266.208     
1 1 1 14 12 8  o 174.591 2.26344 164.161      6.07973  168.661      6.0901   183.307     206.661     27.3884     206.661     
1 1 1 14 12 9  o 35.9787 4.90611 8.35341      2.6491   6.44322      2.58583  7.36715     41.1793     73.6438     41.1793     
1 1 1 14 12 10 o 88.8094 2.64726 41.4945      3.48817  44.9109      3.73751  87.4287     126.846     8.51575     126.846     
1 1 1 14 12 11 o 151.024 2.43451 118.794      5.45804  130.58       5.86784  160.12      174.801     27.8242     174.801     
1 1 1 14 12 12 o 65.0055 3.27768 23.0537      3.27719  23.5038      3.241    62.4935     89.2907     7.87682     89.2907     
1 1 1 14 12 13 o 116.326 2.51067 75.1782      4.51606  72.9342      4.46787  87.8938     246.153     48.9864     66.1531     
1 1 1 14 12 14 o 70.5218 3.05911 27.9269      3.32857  26.7969      3.28328  77.5174     83.8871     26.6576     83.8871     
1 1 1 14 12 15 o 23.0109 5.29291 3.85256      2.19639  1.64455      2.25643  1.81091     264.876     22.1101     264.876     
1 1 1 14 12 16 o 139.803 2.26372 95.1579      4.68653  119.247      5.04767  155.893     228.807     42.3145     228.807     
1 1 1 14 12 17 o 58.6502 3.69566 18.9622      2.89633  19.2462      3.66271  57.6197     38.6672     12.1864     38.6671     
1 1 1 14 12 18 o 102.482 2.80403 57.2682      4.20734  58.1542      4.61906  83.9302     230.621     27.9524     50.6213     
1 1 1 14 12 19 o 19.5289 5.09559 0.241691     2.13538  2.73639      2.12155  18.4816     41.3362     61.1858     41.3362     
1 1 1 14 12 20 o 75.9298 2.90721 33.3782      3.38408  30.2468      3.38246  64.3388     285.278     13.8044     105.278     
1 1 1 14 12 21 o 51.5001 3.71317 15.9123      2.90074  13.8064      2.8931   47.0772     181.872     3.244       181.872     
1 1 1 14 12 22 o 81.0106 3.03334 38.3176      3.76681  34.3393      3.7652   81.7663     275.756     10.8139     275.756     
1 1 1 14 12 23 o 31.5658 4.88877 7.06889      2.48071  4.69974      2.16086  22.5196     48.7112     0.884812    48.7111     
1 1 1 14 12 24 o 41.6683 4.07512 10.1378      2.7024   9.66841      2.38206  32.1241     348.776     10.2648     168.776     
1 1 1 14 12 25 o 24.6509 6.01658 4.22759      3.07506  2.49674      2.49353  3.22547     155.829     48.8659     155.829     
1 1 1 14 12 26 o 19.9275 4.91408 2.41742      1.90769  1.75845      1.80786  6.96934     9.21531     14.0163     189.215     
1 1 1 14 12 27 o 28.5651 4.67967 6.39478      2.06145  3.39221      2.04862  15.7992     96.3319     17.973      276.332     
1 1 1 14 12 28 o 16.0973 4.62387 -0.0822988   1.83072  1.32969      1.831    1.24165     144.402     17.2109     324.402     
1 1 1 14 12 29 f 31.7951 4.4834  6.83691      2.13809  5.20498      2.09688  41.5628     130.261     0           0           
1 1 1 14 12 30 o 61.613  2.79593 22.9527      2.63614  19.6296      2.62831  56.7468     56.5947     2.41244     236.595     
1 1 1 14 12 31 o 29.4701 4.54638 4.77987      2.00787  5.67356      2.00512  18.0303     109.726     15.8276     289.726     
1 1 1 14 12 32 o 25.2838 4.86903 5.25722      2.00745  2.49481      2.05064  22.5823     19.1005     5.90648     19.1005     
1 1 1 14 12 33 o 23.6311 5.00619 4.64883      1.96348  1.89231      2.23314  11.233      47.078      18.7321     227.078     
1 1 1 14 12 34 o 24.2887 5.11749 3.88511      1.95944  3.42758      2.17382  4.00468     156.85      35.6781     336.85      
1 1 1 14 12 35 o 18.355  4.86113 0.783177     1.9233   2.46928      1.89925  8.4719      295.458     2.9849      295.458     
1 1 1 14 12 36 o 40.9712 3.70576 9.91327      2.28276  9.93286      2.28634  34.7764     46.3872     5.42443     226.387     
1 1 1 14 12 37 o 22.6276 4.82018 0.997928     2.04394  5.0964       2.03706  18.1917     256.088     2.338       256.088     
1 1 1 14 12 38 o 25.9551 5.13632 3.72         2.18195  5.03682      2.12748  14.1765     194.792     16.4123     14.7915     
1 1 1 14 12 39 o 33.0722 4.97196 9.07316      2.47018  5.30849      2.47067  31.292      158.225     4.74286     158.225     
1 1 1 14 12 40 o 19.1331 5.27526 1.45692      2.1296   2.66479      2.37418  9.24156     258.85      11.7287     78.8505     
1 1 1 14 12 41 o 17.8826 5.0936  1.59043      2.13474  1.72276      2.17513  11.4255     221.899     3.33145     41.8993     
1 1 1 14 12 42 o 40.0958 4.32398 9.51078      2.57644  11.2849      2.57416  37.9874     90.7633     2.97562     90.7633     
1 1 1 14 12 43 o 20.3545 5.51908 3.36693      2.37778  2.17287      2.54055  17.2957     90.6655     7.99772     90.6655     
1 1 1 14 12 44 o 17.7489 5.00772 0.669766     2.14413  2.7996       2.13149  11.9627     103.411     1.62852     103.411     
1 1 1 14 12 45 o 17.3318 5.06946 2.31913      2.26319  1.01729      2.18779  13.0066     352.501     1.98621     352.501     
1 1 1 14 12 46 o 30.4067 5.52424 9.71514      2.74491  5.02717      2.71388  29.8358     282.626     6.31621     282.626     
1 1 1 14 12 47 o 13.457  4.46155 -2.37442     2.37569  0.373652     2.37744  7.01828     174.857     1.62886     354.857     
1 1 1 14 12 48 o 17.1796 5.06624 3.60492      2.42556  -0.693201    2.44508  12.5347     93.1155     4.5928      93.1155     
1 1 1 14 12 49 o 34.7129 5.11581 9.94942      2.61348  8.67809      2.67829  33.9579     53.6986     6.86806     53.6987     
1 1 1 14 12 50 o 16.2355 4.88842 3.71102      2.45123  -2.04306     2.38961  6.46069     82.8407     1.01903     82.8407     
1 1 1 14 12 51 o 17.0116 5.16382 2.3037       2.29283  1.67777      2.61259  7.36672     110.029     0.643215    290.029     
1 1 1 14 12 52 o 15.989  5.02941 0.893681     2.28113  2.6267       2.68683  7.13173     258.132     1.13712     258.132     
1 1 1 14 12 53 o 15.0948 4.80912 0.301379     2.32113  2.19499      2.43605  9.56641     125.225     1.73987     305.225     
1 1 1 14 13 0  o 121.248 2.30278 80.3259      4.29247  80.3259      4.29247  114.544     180         8.84659     8.65153e-06 
1 1 1 14 13 1  o 214.449 2.07317 252.453      6.84364  249.482      6.8485   260.822     54.2088     105.196     54.2088     
1 1 1 14 13 2  o 175.045 2.20245 165.023      6.13506  169.521      5.72487  136.476     203.664     67.2054     23.6638     
1 1 1 14 13 3  o 132.283 2.34295 92.4579      4.92277  98.7808      4.59711  156.807     198.98      61.085      198.98      
1 1 1 14 13 4  o 175.245 2.28517 159.622      6.15524  175.964      6.16777  196.698     283.953     54.214      283.953     
1 1 1 14 13 5  o 245.874 2.1915  326.614      8.29499  333.498      8.29921  253.659     180.5       27.9512     180.5       
1 1 1 14 13 6  o 114.8   2.52842 78.885       4.50799  65.6095      4.40097  122.337     182.993     25.9648     182.993     
1 1 1 14 13 7  o 91.3196 2.71816 40.6006      3.75194  51.0769      3.84729  96.4257     97.1896     21.7797     97.1896     
1 1 1 14 13 8  o 54.0321 3.53041 14.4272      2.82241  17.9809      2.97135  40.0328     169.193     15.2986     349.193     
1 1 1 14 13 9  o 61.7799 3.35465 23.0404      3.18867  19.1618      3.12842  39.8185     239.86      34.2194     59.8601     
1 1 1 14 13 10 o 45.9619 4.22102 9.91996      2.87868  13.9117      2.87442  40.3693     123.296     8.88858     123.296     
1 1 1 14 13 11 o 31.4117 5.75176 4.54091      2.62852  6.94176      3.01989  10.3488     118.58      20.7137     298.58      
1 1 1 14 13 12 o 58.181  3.71982 19.5671      3.08483  17.9972      3.47115  37.7255     136.005     30.7331     316.005     
1 1 1 14 13 13 o 59.352  3.29281 20.9159      2.81108  18.0683      3.11273  59.0967     80.774      13.9247     80.774      
1 1 1 14 13 14 o 17.2326 5.13373 -0.916753    2.05711  1.27726      2.64531  5.40107     243.17      17.1945     243.17      
1 1 1 14 13 15 o 44.5511 4.30541 13.2294      2.60006  9.31206      2.97748  8.68615     339.853     61.9269     159.853     
1 1 1 14 13 16 o 37.0789 4.82931 9.0836       2.44978  6.75036      2.8049   5.30659     82.4696     75.0598     82.4696     
1 1 1 14 13 17 o 89.348  2.756   41.5179      3.57169  46.3778      3.99667  93.0282     196.903     18.4625     196.903     
1 1 1 14 13 18 o 23.1079 4.68841 5.37771      1.99643  -1.00816     2.47761  3.63377     220.593     35.7827     220.593     
1 1 1 14 13 19 o 55.5443 3.11438 14.9674      2.55854  19.4005      2.70657  39.2154     34.3907     23.0772     214.391     
1 1 1 14 13 20 o 43.073  3.8533  11.6127      2.38608  9.38315      2.55577  27.3287     15.6771     21.4007     195.677     
1 1 1 14 13 21 o 52.218  3.96759 16.536       3.45971  14.266       2.82126  52.0575     253.586     10.6777     253.586     
1 1 1 14 13 22 o 58.8268 3.57638 22.8665      3.60443  16.2233      2.82745  54.3541     179.734     0.201884    359.734     
1 1 1 14 13 23 o 62.962  3.10142 24.4415      3.21913  19.8613      2.76299  43.8323     283.541     31.0758     103.541     
1 1 1 14 13 24 o 49.9154 3.65077 16.0819      2.72688  12.227       2.74993  48.294      324.66      4.41945     324.66      
1 1 1 14 13 25 o 84.6967 2.79273 45.1348      3.5766   34.9011      3.63203  74.7696     327.239     11.6763     147.239     
1 1 1 14 13 26 o 60.4723 2.99661 19.6056      2.83161  21.3267      2.7018   57.2476     289.571     1.11692     289.571     
1 1 1 14 13 27 o 56.9108 3.18841 19.6197      2.8995   16.9006      2.64477  49.6237     309.427     7.21992     129.427     
1 1 1 14 13 28 o 36.1264 4.24564 7.6893       2.34631  7.6281       2.21003  38.2181     91.8633     14.1944     91.8633     
1 1 1 14 13 29 o 24.6301 4.87053 5.19177      2.08164  2.12269      1.94033  17.1992     156.546     4.68991     336.546     
1 1 1 14 13 30 o 58.9849 2.95338 18.8267      2.71581  20.3769      2.60451  64.9183     43.5944     20.1682     43.5944     
1 1 1 14 13 31 f 26.7471 4.75935 3.43222      1.95722  5.34144      2.00766  40.6423     304.158     0           0           
1 1 1 14 13 32 o 49.767  3.3977  16.2025      2.42502  12.3464      2.63031  43.3331     268.816     6.16147     88.816      
1 1 1 14 13 33 o 46.3151 3.45829 14.561       2.39021  10.4242      2.39748  45.7971     297.574     5.90549     297.574     
1 1 1 14 13 34 o 41.8502 3.66151 11.7344      2.30557  8.91821      2.2724   32.2271     177.393     12.5756     357.393     
1 1 1 14 13 35 o 19.1405 4.85368 3.19966      1.9553   0.605146     1.90971  7.28905     233.351     15.8307     53.3514     
1 1 1 14 13 36 o 40.6499 4.0914  12.1224      2.34049  7.98355      2.48767  35.3334     1.46805     3.01664     181.468     
1 1 1 14 13 37 o 26.8018 5.15549 5.53337      2.12063  3.81218      2.33132  19.4186     319.668     6.52615     139.668     
1 1 1 14 13 38 o 15.1572 4.60461 -2.21844     2.0838   1.72643      2.12371  2.53607     163.4       0.728266    343.4       
1 1 1 14 13 39 o 16.6786 4.83835 0.967038     1.96412  1.35708      2.01279  7.21665     29.4745     9.52542     209.474     
1 1 1 14 13 40 o 17.1114 4.94244 0.410267     2.13984  2.09882      2.08648  9.47162     293.425     6.41871     113.425     
1 1 1 14 13 41 o 25.0135 5.36592 3.43997      2.29757  5.56392      2.30667  20.2937     78.8777     2.37755     258.878     
1 1 1 14 13 42 o 17.2105 5.06992 -1.63708     2.68078  2.87986      2.32192  11.813      85.9336     2.50713     85.9336     
1 1 1 14 13 43 o 14.1839 4.53223 0.576005     2.00846  -1.20056     2.32614  5.71268     222.908     4.89495     42.9076     
1 1 1 14 13 44 o 16.7413 4.96515 0.547817     2.17641  2.15565      2.21092  10.2216     159.17      4.88317     339.17      
1 1 1 14 13 45 o 26.221  5.25105 7.95853      2.5178   2.83926      2.33434  23.358      50.5234     1.34191     50.5234     
1 1 1 14 13 46 o 23.3197 5.51445 4.37345      2.32486  4.55201      2.33091  12.8302     34.1763     14.5289     214.176     
1 1 1 14 13 47 o 15.0745 4.72621 2.52039      2.41869  -2.18652     2.25702  9.00511     146.99      1.18469     146.99      
1 1 1 14 13 48 o 25.681  6.0002  4.81918      2.91876  7.50051      2.81103  20.8466     172.221     1.59524     352.221     
1 1 1 14 13 49 o 23.8634 5.83019 4.59393      2.3941   6.01492      2.81451  18.4209     156.819     1.52418     336.819     
1 1 1 14 13 50 f 14.1386 4.65674 0.880384     2.40836  -1.53616     2.66984  3.752       122.552     0           0           
1 1 1 14 13 51 o 15.2215 4.87622 0.451483     2.46374  1.7152       2.48706  6.77583     147.632     2.14037     327.632     
1 1 1 14 13 52 o 15.7061 4.89429 1.61246      2.27858  1.9116       2.33115  8.63598     129.001     3.21027     129.001     
1 1 1 14 13 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 14 0  o 55.207  3.3985  17.0307      2.83664  17.0307      2.83664  3.31461     360         114.305     360         
1 1 1 14 14 1  o 58.3818 3.23649 19.2751      2.90869  18.3345      2.86364  62.6638     223.085     45.2588     223.085     
1 1 1 14 14 2  o 90.1282 2.63303 43.1453      3.76474  45.8975      3.51283  101.428     229.288     34.4843     229.288     
1 1 1 14 14 3  o 41.0159 4.64723 7.58315      2.78429  11.6601      2.8058   19.5466     225.993     29.849      45.9929     
1 1 1 14 14 4  o 167.453 2.40317 151.997      6.44221  154.587      5.93625  178.31      203.831     33.5315     203.831     
1 1 1 14 14 5  o 171.94  2.2148  165.077      5.68734  158.014      6.02629  172.378     268.039     12.6943     268.039     
1 1 1 14 14 6  o 25.4225 5.90337 3.28555      2.63871  3.67601      2.70502  1.65776     304.234     8.89228     124.234     
1 1 1 14 14 7  o 63.6342 3.30491 25.9735      3.23845  18.9946      3.14321  60.2609     37.7524     6.06693     37.7523     
1 1 1 14 14 8  o 67.1478 3.17392 25.7965      3.3027   23.9269      3.22224  64.5338     287.34      7.2858      287.34      
1 1 1 14 14 9  o 17.2054 5.27182 -0.0281242   2.39544  -0.571043    2.76828  6.65437     84.0711     20.9322     84.0711     
1 1 1 14 14 10 o 22.1544 5.93258 1.82337      2.49426  2.28752      3.05826  4.21739     329.314     26.4279     329.314     
1 1 1 14 14 11 o 65.2523 3.22532 22.9876      3.2186   24.0482      3.22097  58.6109     147.483     0.90098     327.483     
1 1 1 14 14 12 o 61.1954 3.31427 19.9983      3.09658  21.4638      3.09903  51.8362     85.7202     6.17306     265.72      
1 1 1 14 14 13 o 37.8436 5.07131 9.2997       2.85391  7.25343      2.8315   23.8502     327.036     1.57201     147.036     
1 1 1 14 14 14 o 60.016  3.58992 22.0334      3.3135   18.1163      3.23992  54.0793     317.19      0.90322     317.191     
1 1 1 14 14 15 o 20.511  5.61905 2.1209       2.5494   0.994905     2.55034  5.47805     281.223     29.5473     281.223     
1 1 1 14 14 16 o 119.686 2.55262 74.9412      4.84846  82.5539      4.51893  119.895     261.939     11.7876     261.939     
1 1 1 14 14 17 o 91.8391 2.77809 47.2256      4.05471  45.7588      3.78349  94.9374     57.7481     16.9583     57.7481     
1 1 1 14 14 18 o 24.5121 5.78837 3.93742      2.67637  2.64629      2.48175  6.47853     137.651     8.38259     317.651     
1 1 1 14 14 19 o 53.7243 3.71713 18.8936      3.01313  13.7292      2.99045  44.1566     165.783     9.76701     345.783     
1 1 1 14 14 20 o 58.6575 3.73582 20.9177      3.33538  17.8345      3.32293  50.1423     297.35      8.32419     117.35      
1 1 1 14 14 21 o 25.7851 5.48801 6.06928      2.60464  1.24368      2.59385  15.2084     258.915     6.90104     78.915      
1 1 1 14 14 22 o 33.606  4.87221 9.42538      2.39603  4.1992       2.50409  24.3151     302.614     10.3143     122.614     
1 1 1 14 14 23 o 32.804  4.57128 6.4061       2.21823  6.26018      2.23566  28.3023     285.44      0.514249    285.44      
1 1 1 14 14 24 o 80.1556 2.79846 37.5274      3.31152  34.0119      3.55123  58.4385     56.6564     35.0659     236.656     
1 1 1 14 14 25 o 30.4075 4.56322 4.75458      2.05826  6.26932      2.08793  21.0379     75.9622     10.4374     255.962     
1 1 1 14 14 26 o 83.9465 2.7376  35.6972      3.49989  43.0533      3.53737  87.4572     29.4153     16.5801     29.4153     
1 1 1 14 14 27 o 46.4723 3.72848 10.7631      2.5405   14.1721      2.67244  36.5634     332.275     12.4481     152.274     
1 1 1 14 14 28 o 58.7114 3.12943 17.8444      2.72818  21.1779      2.88354  54.0737     108.469     1.17035     288.469     
1 1 1 14 14 29 o 86.3965 2.60449 41.6413      3.67564  41.7228      3.22122  78.9159     84.8553     5.08236     264.855     
1 1 1 14 14 30 o 12.8925 4.10215 -0.953534    1.69528  -0.337606    1.73048  1.49445     319.966     20.5518     319.966     
1 1 1 14 14 31 o 107.779 2.30407 68.048       3.83023  61.4345      3.80251  101.69      73.8548     0.153056    253.853     
1 1 1 14 14 32 o 27.4354 5.02474 5.22427      2.25558  4.28215      2.02856  28.0267     36.3803     10.9452     36.3803     
1 1 1 14 14 33 o 21.9825 5.03729 1.67519      2.11747  4.04815      1.98796  15.791      244.138     2.90345     64.1384     
1 1 1 14 14 34 o 17.7644 4.91441 0.895514     2.04562  1.93624      1.91226  8.84719     0.000390872 5.706       180         
1 1 1 14 14 35 f 26.2779 4.86867 6.72951      2.22447  2.17947      2.07861  36.2148     69.7252     0           0           
1 1 1 14 14 36 o 18.5036 5.16246 1.599        2.16012  1.7502       2.17766  7.69172     96.3637     12.1687     276.364     
1 1 1 14 14 37 o 27.2939 5.39772 3.99019      2.40369  6.11921      2.3969   27.6677     200.464     13.7813     200.464     
1 1 1 14 14 38 o 15.401  4.6993  0.151531     2.06847  0.773182     2.00896  6.33872     191.061     2.20057     11.0612     
1 1 1 14 14 39 f 18.8371 5.26935 2.53235      2.28195  1.49146      2.28341  13.9675     320.313     0           0           
1 1 1 14 14 40 o 27.1226 5.47793 5.11751      2.44862  5.56571      2.36304  22.6102     145.146     1.83101     325.146     
1 1 1 14 14 41 o 16.0048 4.9364  -0.227783    2.37023  1.39201      2.28879  7.83277     40.54       7.98419     220.54      
1 1 1 14 14 42 o 23.3656 5.84539 5.74906      2.69878  2.51457      2.89687  11.7584     10.7122     16.0025     190.712     
1 1 1 14 14 43 o 15.5356 4.76724 0.790768     2.0686   0.87594      2.15902  9.7163      6.42731     1.05167     6.42731     
1 1 1 14 14 44 o 43.2391 4.03998 9.96905      2.52349  14.8819      2.62419  47.5609     1.83595     17.3673     1.83595     
1 1 1 14 14 45 o 22.7981 5.50724 3.78383      2.31517  4.74581      2.35181  22.6778     103.066     9.7503      103.066     
1 1 1 14 14 46 o 17.6355 4.82877 4.34677      2.21991  -2.04861     2.42423  5.72373     188.785     3.49822     188.785     
1 1 1 14 14 47 o 14.5359 4.6645  -0.184876    2.18186  1.03974      2.35417  5.84015     61.4658     1.54012     61.4658     
1 1 1 14 14 48 o 14.3221 4.68107 1.04638      2.56796  -0.836184    2.27977  5.27359     352.246     1.71154     172.246     
1 1 1 14 14 49 o 18.1726 5.36419 4.31936      2.62453  0.0313623    2.85747  9.2423      251.578     3.39881     71.5784     
1 1 1 14 14 50 o 13.9042 4.57662 -1.9752      2.38834  1.59211      2.49429  4.42695     153.888     3.55266     333.888     
1 1 1 14 14 51 o 11.8098 4.0792  -2.88192     2.28758  -0.784742    2.54267  2.62965     207.947     1.16154     27.947      
1 1 1 14 14 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 15 0  o 113.998 2.32455 71.095       4.07293  71.095       4.07293  88.3186     2.2226e-06  44.2522     180         
1 1 1 14 15 1  o 106.217 2.47508 59.4842      4.18662  64.1978      3.87603  77.492      9.72103     46.8258     189.721     
1 1 1 14 15 2  o 188.659 2.3443  202.155      7.10694  187.421      6.5163   212.368     277.122     62.5171     277.122     
1 1 1 14 15 3  o 92.2111 2.96315 48.765       4.21002  44.7768      4.17836  90.6321     254.38      8.79876     254.38      
1 1 1 14 15 4  o 206.205 2.55976 239.346      7.74523  226.489      8.46944  206.312     219.038     15.8581     219.038     
1 1 1 14 15 5  o 88.623  3.06289 44.7414      3.76089  41.7478      4.50664  74.9838     331.783     16.0745     151.783     
1 1 1 14 15 6  o 88.8595 2.82328 41.1231      3.71695  45.7415      3.99124  87.3317     205.531     9.14826     205.531     
1 1 1 14 15 7  o 104.772 2.67938 62.0779      4.1162   58.4776      4.49208  102.488     259.782     7.56558     259.782     
1 1 1 14 15 8  o 153.182 2.41521 124.351      5.45932  132.749      5.93585  170.924     162.703     49.7073     162.703     
1 1 1 14 15 9  o 46.9843 3.97408 11.7178      2.83478  13.0717      2.78993  26.5533     16.0751     28.2975     196.075     
1 1 1 14 15 10 o 50.3098 3.73598 14.4256      2.87817  13.8596      2.82411  47.9685     344.075     13.7366     344.075     
1 1 1 14 15 11 o 63.7654 3.38815 23.9336      3.3153   21.2183      3.28177  46.1918     37.9097     24.3398     217.91      
1 1 1 14 15 12 o 110.185 2.54875 70.7608      4.55978  62.7534      4.08139  121.89      74.3073     36.008      74.3073     
1 1 1 14 15 13 o 70.7763 3.27508 25.6231      3.87212  29.9847      3.09453  65.0958     179.993     0.205719    359.993     
1 1 1 14 15 14 o 37.596  4.94327 6.67787      3.0803   9.74463      2.28523  30.0804     185.717     5.88007     185.717     
1 1 1 14 15 15 f 63.2489 2.83266 22.6387      2.75443  21.619       2.7343   58.4754     354.455     0           0           
1 1 1 14 15 16 o 92.8554 2.52544 46.1326      3.60746  48.8718      3.59855  102.069     219.641     29.6709     219.641     
1 1 1 14 15 17 o 37.8095 4.38666 11.0873      2.25453  5.74511      2.46886  23.7902     33.7948     18.1972     213.795     
1 1 1 14 15 18 o 15.3333 4.51345 0.0543138    1.76904  0.671198     1.77258  0.336784    146.698     3.66372     146.698     
1 1 1 14 15 19 o 37.5734 4.31457 9.42618      2.60112  6.98307      2.22364  34.4224     205.939     3.81752     205.939     
1 1 1 14 15 20 o 29.8037 5.37524 6.04799      2.69246  4.66648      2.26439  14.0029     111.215     23.7585     291.215     
1 1 1 14 15 21 o 75.9361 2.92874 33.6662      3.83607  30.6277      2.96305  71.3379     314.556     0.198917    134.557     
1 1 1 14 15 22 o 23.5731 5.60758 2.96604      2.57249  3.30891      2.25911  15.0093     132.817     1.36955     132.817     
1 1 1 14 15 23 o 27.7018 5.79467 3.08804      2.7172   6.16438      2.7526   19.702      9.80404     5.5255      189.804     
1 1 1 14 15 24 o 52.4731 3.80557 15.5411      2.95001  15.9988      3.11238  53.6009     161.813     11.0306     161.813     
1 1 1 14 15 25 o 50.3816 3.80763 16.0894      2.89915  13.1615      2.88885  38.2688     257.096     16.4788     77.0956     
1 1 1 14 15 26 f 83.822  2.72058 34.4318      3.27747  44.4088      3.72707  63.7802     200.183     0           0           
1 1 1 14 15 27 o 45.5107 3.57598 13.2234      2.30809  10.6371      2.54656  50.0506     58.4273     18.0102     58.4273     
1 1 1 14 15 28 o 47.4701 3.47705 16.8152      2.35424  9.5271       2.43142  32.3874     327.303     23.055      147.303     
1 1 1 14 15 29 o 20.6592 4.87838 3.5582       1.91243  1.15631      1.93751  13.7395     45.3478     5.75787     225.348     
1 1 1 14 15 30 o 19.5526 5.06111 2.17928      2.01729  1.94897      1.96192  9.30541     165.801     13.3189     345.801     
1 1 1 14 15 31 o 17.2618 4.78867 1.18818      1.8732   1.42751      1.84333  9.32891     237.641     2.87407     57.6414     
1 1 1 14 15 32 o 15.1717 4.48458 -0.939971    1.86099  1.46345      1.83411  4.42544     153.946     9.20385     333.946     
1 1 1 14 15 33 o 23.091  5.07688 2.42981      2.08195  4.26562      2.02189  19.0403     95.0575     6.38407     95.0575     
1 1 1 14 15 34 o 19.5573 5.04925 1.73467      1.96783  2.61037      2.01315  11.0686     151.059     5.91467     331.059     
1 1 1 14 15 35 o 19.7689 5.12545 3.58823      2.1854   0.506056     2.19911  12.6507     267.612     1.5115      87.6119     
1 1 1 14 15 36 o 44.4694 4.06611 12.4393      2.74317  11.9026      2.69509  38.6472     228.658     3.13058     48.6577     
1 1 1 14 15 37 o 27.8005 5.28387 6.23243      2.41175  4.49431      2.23984  22.5046     72.5376     2.42568     252.538     
1 1 1 14 15 38 o 59.3328 3.46558 20.5313      3.12897  22.0831      3.14372  63.6185     263.195     18.7669     263.195     
1 1 1 14 15 39 o 27.9454 5.65605 7.04101      2.64948  4.57914      2.55997  18.4086     43.4533     12.1363     223.453     
1 1 1 14 15 40 o 20.7162 5.34499 3.94303      2.18555  1.75505      2.48528  10.5453     34.1018     13.2524     214.102     
1 1 1 14 15 41 o 14.2662 4.6234  -0.464799    2.2692   -0.227175    2.3235   1.46796     0.00703269  0.0373466   0.00703274  
1 1 1 14 15 42 o 13.2702 4.35311 0.35366      2.04253  -2.76149     2.43951  5.6298      127.618     6.39631     307.618     
1 1 1 14 15 43 o 38.1107 4.75335 9.8266       2.6316   10.7077      2.74407  37.0686     53.6069     6.26812     53.6069     
1 1 1 14 15 44 o 16.6105 4.98469 2.56057      2.1828   -0.217551    2.55325  12.0961     12.9635     1.9445      12.9635     
1 1 1 14 15 45 o 20.4038 5.55025 3.67786      2.3332   3.2279       2.62149  17.2701     101.689     3.62955     101.689     
1 1 1 14 15 46 o 17.0715 5.15973 1.0971       2.22631  2.80917      2.59194  10.3491     156.76      4.67247     156.76      
1 1 1 14 15 47 o 16.6554 5.07375 2.25516      2.33906  1.22121      2.421    9.3864      36.2052     1.70786     216.205     
1 1 1 14 15 48 o 14.8007 4.74178 0.838451     2.30774  0.437832     2.35553  3.50232     273.869     3.59177     93.8687     
1 1 1 14 15 49 o 15.5397 4.85994 2.07504      2.32149  0.608506     2.31062  2.13912     204.892     0.270106    204.892     
1 1 1 14 15 50 o 16.0521 5.08673 3.12653      2.77661  0.642541     2.43854  10.1079     258.988     1.35714     258.988     
1 1 1 14 15 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 16 0  o 29.5286 7.4963  6.40683      3.1171   6.40683      3.1171   33.8544     8.65132e-06 124.031     8.65132e-06 
1 1 1 14 16 1  o 117.16  3.16318 76.901       6.06433  74.4806      5.31328  117.393     41.257      13.7869     41.257      
1 1 1 14 16 2  o 25.7263 6.56962 3.56835      3.0464   2.85439      3.67221  2.81522     277.803     12.7734     97.803      
1 1 1 14 16 3  o 64.9233 3.48434 26.6216      3.49592  20.3798      3.38239  66.4799     313.221     17.6238     313.221     
1 1 1 14 16 4  o 53.9082 3.78607 11.9245      2.88014  21.2102      3.18176  45.3574     3.39907     3.4116      183.399     
1 1 1 14 16 5  o 23.69   5.46639 3.80709      2.26793  2.21208      2.40598  1.32185     339.198     12.5083     159.198     
1 1 1 14 16 6  o 43.6008 3.93676 10.6626      2.48079  10.7492      2.68089  23.4389     146.527     28.2624     326.527     
1 1 1 14 16 7  o 67.9853 3.01454 25.8333      3.14177  25.2622      3.13801  47.5523     328.441     30.2471     148.441     
1 1 1 14 16 8  o 28.2487 5.50277 5.08021      2.41681  4.21839      2.54231  7.71948     353.287     61.318      353.287     
1 1 1 14 16 9  o 52.5126 3.91156 17.189       3.3047   13.8651      2.9277   33.9676     287.513     26.4703     107.513     
1 1 1 14 16 10 o 21.5086 5.35674 0.622041     2.64434  3.34934      2.09321  29.6546     247.16      94.3246     247.16      
1 1 1 14 16 11 o 102.4   2.56975 57.6754      4.23959  57.7695      3.84099  93.787      128.651     5.4631      308.651     
1 1 1 14 16 12 o 64.0037 2.94854 24.8214      2.89281  20.6751      2.86989  65.7648     93.9371     15.0286     93.9371     
1 1 1 14 16 13 o 29.424  5.16974 5.97808      2.54158  4.30142      2.13764  18.4831     178.168     1.11789     358.168     
1 1 1 14 16 14 o 60.655  2.99712 20.7204      2.7843   20.1758      2.77888  63.9273     176.014     17.3751     176.014     
1 1 1 14 16 15 o 67.5287 2.84637 25.9921      3.00289  24.6143      2.89029  55.7042     13.7993     14.4399     193.799     
1 1 1 14 16 16 o 24.7031 4.63035 5.6834       1.98759  1.33488      1.95754  14.7512     217.746     5.86534     37.7459     
1 1 1 14 16 17 o 21.445  4.95755 2.24719      1.92146  2.88542      1.86575  7.96427     138.735     15.8593     318.735     
1 1 1 14 16 18 o 33.8546 4.19826 6.78707      2.1003   6.54106      2.11686  26.9222     219.857     4.81562     39.8574     
1 1 1 14 16 19 o 114.585 2.51515 71.2149      4.43777  74.1338      4.42572  121.195     282.099     25.9732     282.099     
1 1 1 14 16 20 o 39.0299 3.91806 8.21797      2.31878  9.34784      2.24233  40.5804     59.5251     13.3873     59.5251     
1 1 1 14 16 21 o 42.0472 3.68469 10.3989      2.18488  9.85008      2.4609   35.0754     299.402     5.64366     119.402     
1 1 1 14 16 22 o 31.5683 4.43387 4.2683       2.16093  7.71005      1.97091  29.2342     314.902     6.12742     314.902     
1 1 1 14 16 23 o 31.8739 4.62699 10.1884      2.28837  2.53809      2.3011   23.4935     99.6546     8.18826     279.655     
1 1 1 14 16 24 o 23.6801 4.8057  2.19964      1.88357  4.51         1.93327  17.5997     322.58      2.31379     322.58      
1 1 1 14 16 25 o 27.332  5.14682 5.13423      2.41777  4.09624      1.99554  19.2894     0.530124    7.26738     180.53      
1 1 1 14 16 26 o 72.5632 3.15122 33.2688      3.4936   26.5562      3.47854  79.3528     39.8118     23.8699     39.8118     
1 1 1 14 16 27 o 70.0347 3.13694 29.2342      3.25646  26.4975      3.45305  64.0787     96.0816     2.31287     276.082     
1 1 1 14 16 28 o 16.9846 4.95428 -1.15857     2.19247  2.08423      2.26982  9.83735     22.8816     2.00975     202.882     
1 1 1 14 16 29 o 34.5235 4.65091 8.87195      2.15015  5.86621      2.54053  25.0842     50.98       11.6571     230.98      
1 1 1 14 16 30 o 14.683  4.46746 -0.297556    1.83522  0.621473     1.84369  3.0946      79.9877     12.3431     259.988     
1 1 1 14 16 31 f 14.2701 4.41079 -0.99453     1.88604  0.670983     1.87253  2.81181     46.1265     0           0           
1 1 1 14 16 32 o 54.0964 3.34005 20.1356      2.72365  14.1743      2.70709  50.6228     119.01      2.60526     119.01      
1 1 1 14 16 33 o 24.5057 5.2006  3.64419      2.19775  4.18482      2.05716  17.9244     74.0556     3.45061     254.056     
1 1 1 14 16 34 o 24.3922 5.36823 2.32342      2.479    5.42379      2.28529  14.9543     345.778     10.5232     165.778     
1 1 1 14 16 35 o 13.7771 4.38464 -0.255917    1.98655  -0.430814    1.91885  3.24689     295.519     9.31154     115.519     
1 1 1 14 16 36 o 34.1024 4.6839  10.153       2.4445   5.41006      2.28879  32.4654     78.0747     5.22872     78.0747     
1 1 1 14 16 37 o 16.6627 5.0164  0.825562     2.41216  1.20105      2.1202   10.0738     248.582     2.98635     248.582     
1 1 1 14 16 38 o 36.7309 4.98792 11.1765      2.68569  7.41942      2.72134  32.1053     97.4815     1.05109     277.482     
1 1 1 14 16 39 o 14.939  4.63122 1.05893      2.05939  -0.34207     2.07456  7.12784     172.659     1.82344     352.659     
1 1 1 14 16 40 o 20.4874 5.52901 5.54117      2.84866  -0.342718    2.62258  10.7358     171.244     11.972      351.244     
1 1 1 14 16 41 o 19.5079 5.72883 1.99257      2.92895  3.27841      2.79534  16.1866     237.724     3.3145      237.724     
1 1 1 14 16 42 o 13.5293 4.4251  0.0126973    2.21204  -0.936358    2.1427   7.42068     229.563     0.0356302   49.5625     
1 1 1 14 16 43 o 15.8688 4.91675 0.342613     2.33527  1.69939      2.30572  7.41947     263.806     9.4949      83.8055     
1 1 1 14 16 44 o 18.3928 5.23465 2.86473      2.26691  2.18093      2.29961  14.304      170.479     6.06316     170.479     
1 1 1 14 16 45 o 22.2437 5.41123 5.75935      2.35638  2.6204       2.45576  21.5777     69.0209     10.8612     69.021      
1 1 1 14 16 46 o 14.2267 4.51153 2.12336      2.20115  -2.60063     2.27688  4.83908     261.763     2.49334     81.7633     
1 1 1 14 16 47 o 16.86   5.12075 3.00725      2.43213  0.458595     2.53016  7.07895     175.013     2.98983     355.013     
1 1 1 14 16 48 o 10.4926 3.67699 -2.92288     2.18088  -3.54627     2.30078  0.282227    97.2536     3.83864     277.254     
1 1 1 14 16 49 o 12.4123 4.21022 -0.676226    2.29605  -1.10956     2.34847  2.55235     301.444     0.396407    121.444     
1 1 1 14 16 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 17 0  f 27.9383 6.84587 5.6602       2.65635  5.6602       2.65635  9.37704     180         0           0           
1 1 1 14 17 1  o 174.895 2.57992 165.936      7.2879   170.393      6.57923  172.258     359.563     12.6001     359.563     
1 1 1 14 17 2  o 31.1033 5.79765 6.52006      2.68526  4.87516      3.00445  8.25694     171.612     33.4409     351.612     
1 1 1 14 17 3  o 76.3584 3.10458 29.2308      3.59692  35.5243      3.65056  71.6701     209.542     2.3479      209.542     
1 1 1 14 17 4  o 37.4282 5.3306  6.65465      3.12888  9.83455      2.77545  31.2717     116.85      9.97967     116.85      
1 1 1 14 17 5  o 18.0474 5.43544 -0.226417    2.85975  0.529257     2.46839  2.98619     10.8134     19.8667     10.8134     
1 1 1 14 17 6  o 29.4007 5.74436 5.22918      2.72431  4.99573      2.64999  13.6522     333.031     16.2269     153.031     
1 1 1 14 17 7  o 127.956 2.75802 93.889       5.45114  86.8449      5.40036  127.396     61.2765     13.2938     61.2765     
1 1 1 14 17 8  o 25.9181 5.61943 4.80979      2.65441  2.99958      2.29644  2.38603     272.277     46.946      272.277     
1 1 1 14 17 9  o 38.1274 4.41665 8.28981      2.50771  8.46679      2.49878  28.1229     279.85      8.73118     99.8497     
1 1 1 14 17 10 o 54.5733 3.2879  18.2971      2.804    15.0866      2.66074  46.0446     134.039     7.23779     314.039     
1 1 1 14 17 11 o 54.0592 3.29222 14.8542      2.74583  17.9324      2.64867  57.0659     217.278     16.8571     217.278     
1 1 1 14 17 12 f 49.9471 3.35637 12.0311      2.52237  16.1367      2.52875  44.2776     120.45      0           0           
1 1 1 14 17 13 o 88.883  2.5411  42.3559      3.46295  45.0222      3.47658  100.023     293.193     33.7423     293.193     
1 1 1 14 17 14 o 60.7747 2.94348 18.3551      2.71877  22.9614      2.72977  71.4953     13.8202     31.9827     13.8202     
1 1 1 14 17 15 o 80.5006 2.58934 33.6616      3.1834   38.2439      3.21075  89.7133     277.75      29.4767     277.75      
1 1 1 14 17 16 f 40.5542 3.70702 9.44149      2.2559   9.35009      2.26574  29.424      234.921     0           0           
1 1 1 14 17 17 f 36.7364 3.98433 9.18812      2.1814   6.52651      2.13923  28.4263     234.262     0           0           
1 1 1 14 17 18 o 15.1259 4.28481 1.74253      1.68941  -1.18832     1.6361   1.3523      283.007     7.98116     103.007     
1 1 1 14 17 19 f 30.4571 4.45639 8.09064      2.07616  3.25427      2.02268  41.8243     16.8617     0           0           
1 1 1 14 17 20 o 33.4694 4.31623 5.93278      2.15968  7.33554      2.11299  33.1462     298.553     10.5807     298.553     
1 1 1 14 17 21 o 19.8505 4.86017 1.13639      1.95154  2.94728      1.8177   8.62304     214.09      0.130526    34.0906     
1 1 1 14 17 22 o 16.4375 4.70896 0.872384     1.87865  0.829789     1.82835  1.30662     25.0926     26.7222     25.0926     
1 1 1 14 17 23 o 72.9993 2.77694 30.0065      2.95634  29.7576      3.25416  73.7633     255.936     12.2688     255.936     
1 1 1 14 17 24 o 46.9541 3.34886 13.5388      2.40584  11.7317      2.36241  51.7303     35.5276     18.6403     35.5276     
1 1 1 14 17 25 o 21.7232 5.1283  2.63499      2.13685  2.91784      1.90385  7.3309      251.484     22.3446     71.4839     
1 1 1 14 17 26 o 65.8444 2.78003 24.9318      2.76188  24.0423      2.84664  53.8463     336.891     14.3        156.891     
1 1 1 14 17 27 o 13.3626 4.16105 -0.0505537   1.67523  -0.353059    1.65361  1.5607      219.42      13.7193     39.4202     
1 1 1 14 17 28 o 40.2515 3.72378 8.75463      2.2515   10.4133      2.23332  33.7157     161.825     4.81955     341.825     
1 1 1 14 17 29 o 47.4709 3.56217 14.2528      2.73713  12.2574      2.39468  38.4418     245.84      9.18257     65.8404     
1 1 1 14 17 30 o 58.3977 3.43484 18.3272      3.05326  21.5449      3.04867  53.1855     251.887     0.115807    71.8891     
1 1 1 14 17 31 o 55.3528 3.84177 19.1148      3.4003   17.4293      3.06563  52.4142     227.532     4.506       227.532     
1 1 1 14 17 32 o 18.5196 5.15456 -1.96502     2.21094  4.01888      2.69056  9.9763      144.359     0.296871    144.359     
1 1 1 14 17 33 o 32.4636 5.24574 6.16846      2.55274  8.02225      2.59423  23.6433     331.563     9.27189     151.563     
1 1 1 14 17 34 o 14.8112 4.49956 1.51401      1.93039  -1.50138     2.02211  5.5822      103.118     7.07871     283.118     
1 1 1 14 17 35 o 12.9974 4.20288 -3.27248     1.97996  0.708968     2.0258   4.16264     286.242     6.41358     106.242     
1 1 1 14 17 36 o 30.6594 5.02257 9.54875      2.49229  3.85083      2.4005   30.9123     23.349      9.09719     23.349      
1 1 1 14 17 37 o 18.8696 5.288   3.06826      2.21197  0.841261     2.60562  12.5534     71.0278     3.47146     251.028     
1 1 1 14 17 38 o 40.7114 4.45294 9.54206      2.62487  12.5669      2.7478   43.7185     347.739     16.1448     347.739     
1 1 1 14 17 39 o 18.076  5.20632 3.2881       2.49867  0.559076     2.18392  12.7532     94.0778     0.714004    274.078     
1 1 1 14 17 40 o 17.7396 5.22449 3.74278      2.61662  -0.880099    2.52253  11.3785     249.547     6.77599     249.547     
1 1 1 14 17 41 o 16.8764 5.02082 1.88965      2.19854  1.38466      2.24775  3.15112     42.4366     21.5061     222.437     
1 1 1 14 17 42 o 13.2506 4.33822 0.611785     2.12384  -1.95161     2.18722  1.56026     20.1413     0.201758    20.1413     
1 1 1 14 17 43 o 18.2525 5.20904 1.35748      2.27468  3.50588      2.35703  11.9629     76.2696     6.34481     76.2696     
1 1 1 14 17 44 o 20.0028 5.56352 4.37312      2.66475  2.59335      2.38955  11.3699     179.819     7.23662     179.819     
1 1 1 14 17 45 o 13.8134 4.5492  -1.39427     2.53392  0.589501     2.28428  3.05385     134.574     2.36782     314.574     
1 1 1 14 17 46 o 19.6697 5.51288 3.28024      2.49806  3.59381      2.47317  12.1235     99.7073     0.24009     99.7074     
1 1 1 14 17 47 o 15.2745 4.88958 1.22248      2.49508  1.19887      2.44548  6.51705     267.747     1.12871     87.7467     
1 1 1 14 17 48 o 12.8226 4.31918 -0.415351    2.32789  -0.663753    2.37897  5.35716     243.887     4.57838     63.8874     
1 1 1 14 17 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 18 0  o 13.8964 5.96527 1.07483      2.37359  1.07483      2.37359  24.6587     2.23118e-05 72.5364     2.23118e-05 
1 1 1 14 18 1  o 36.7729 4.67009 6.10249      2.67638  9.7993       2.29751  28.5084     11.2312     5.43706     191.231     
1 1 1 14 18 2  o 98.0298 2.7491  52.4474      4.2052   53.9011      4.07452  87.9964     81.9645     7.46178     261.965     
1 1 1 14 18 3  o 46.7015 4.094   8.26067      2.5431   17.4375      3.04683  32.7916     353.133     18.5146     173.133     
1 1 1 14 18 4  o 74.5944 3.07477 31.3592      3.3486   30.5758      3.67124  72.5495     208.245     6.99111     208.245     
1 1 1 14 18 5  o 15.8894 4.85337 -1.94588     2.29349  0.97508      2.25533  6.15922     55.6374     32.9529     55.6374     
1 1 1 14 18 6  o 26.9945 5.62289 5.31699      2.55063  3.28915      2.52221  15.9374     268.975     10.4764     88.9748     
1 1 1 14 18 7  o 21.3293 5.3328  3.50253      2.41224  1.12918      2.08434  9.34404     235.569     9.29693     55.5689     
1 1 1 14 18 8  o 38.5864 4.37056 11.2235      2.40231  6.34271      2.46719  29.2999     224.935     9.55087     44.9345     
1 1 1 14 18 9  o 30.6957 5.02425 6.70579      2.49496  4.615        2.18215  26.8858     343.576     5.28707     343.576     
1 1 1 14 18 10 o 72.2722 3.13586 25.1535      3.66072  33.5179      3.11488  85.786      121.76      38.6704     121.76      
1 1 1 14 18 11 o 32.3036 4.63053 5.4936       2.26959  6.85768      2.17524  27.704      102.223     1.76971     102.223     
1 1 1 14 18 12 o 29.4334 4.74904 6.27496      2.13427  4.10365      2.10568  17.5989     127.48      14.5146     307.48      
1 1 1 14 18 13 o 35.233  4.19615 6.11854      2.18033  8.42888      2.17768  30.8617     90.0849     1.31111     90.0849     
1 1 1 14 18 14 o 27.2921 4.77337 3.77673      2.00943  5.16879      2.00511  20.3941     310.217     10.7713     310.217     
1 1 1 14 18 15 o 47.4637 3.28091 11.9388      2.41772  13.5862      2.29562  49.4913     332.757     14.2072     332.757     
1 1 1 14 18 16 o 55.5045 2.91404 18.9228      2.47242  15.7233      2.4566   60.0149     293.225     19.4411     293.225     
1 1 1 14 18 17 o 25.7428 4.81002 3.49713      1.87155  4.53678      2.01097  16.9905     13.6381     7.04981     193.638     
1 1 1 14 18 18 o 20.694  4.87318 2.54843      1.83289  2.33494      1.80417  11.2592     260.327     1.58336     80.3267     
1 1 1 14 18 19 o 40.3435 3.67024 10.7181      2.24066  8.14454      2.18109  24.933      64.068      22.7173     244.068     
1 1 1 14 18 20 o 30.7238 4.35883 6.72755      1.99729  4.62877      1.98119  27.5344     192.297     3.52309     192.297     
1 1 1 14 18 21 o 77.7106 2.67392 36.2905      3.42399  31.4358      2.96022  73.6769     232.937     3.61016     232.937     
1 1 1 14 18 22 o 22.7618 5.12799 3.82239      2.08036  2.3918       2.02525  15.6736     194.336     5.31592     14.3358     
1 1 1 14 18 23 o 13.6976 4.18125 0.0990926    1.60963  -0.0173393   1.6094   4.21212     79.1679     8.73801     259.168     
1 1 1 14 18 24 o 33.4515 4.82248 7.99277      2.15007  5.859        2.62063  36.562      273.624     16.0108     273.624     
1 1 1 14 18 25 o 66.7104 2.67792 23.5156      2.68055  26.8313      2.79584  62.9981     101.473     3.53617     101.473     
1 1 1 14 18 26 o 72.9336 2.66936 24.8562      2.85314  35.8329      3.08058  72.659      276.324     11.5748     276.324     
1 1 1 14 18 27 o 28.2933 4.6295  4.47421      2.02036  5.59401      1.94522  23.211      83.3093     0.810463    263.309     
1 1 1 14 18 28 o 27.1452 5.09402 4.07558      2.34532  5.40912      2.04576  23.6428     8.40306     3.80108     8.40306     
1 1 1 14 18 29 o 46.6398 3.68977 13.522       2.80107  12.3138      2.40467  45.0229     133.069     6.88239     133.07      
1 1 1 14 18 30 o 15.5414 4.59954 1.01092      1.83344  0.333923     1.87854  3.45935     16.9093     13.9072     196.909     
1 1 1 14 18 31 f 27.0621 5.35231 4.51095      2.31113  5.46343      2.33892  28.8946     54.3136     0           0           
1 1 1 14 18 32 o 30.7742 5.31476 6.87987      2.58327  6.13531      2.4115   28.8109     214.154     5.78539     214.154     
1 1 1 14 18 33 o 44.0578 4.057   14.8575      2.85723  9.73921      2.47926  38.7454     62.4199     1.25465     242.42      
1 1 1 14 18 34 o 28.6514 6.19131 5.6449       2.79931  7.15728      3.175    30.1769     44.3865     23.2145     44.3865     
1 1 1 14 18 35 o 21.8496 5.44175 4.75157      2.29216  1.52433      2.70084  9.4233      329.769     17.8362     149.769     
1 1 1 14 18 36 o 16.9361 4.91624 -0.301042    2.05345  2.79382      2.26301  9.5625      41.5135     4.51082     221.513     
1 1 1 14 18 37 o 13.7684 4.46152 0.0992899    2.0936   -1.02592     2.21869  5.29499     249.746     2.4919      69.7461     
1 1 1 14 18 38 o 21.0465 5.09443 5.73582      2.33558  -0.564392    2.65012  19.6299     323.69      11.608      323.69      
1 1 1 14 18 39 o 23.8667 5.91101 4.13881      2.74156  5.53953      2.68699  18.4463     229.834     2.79046     49.8345     
1 1 1 14 18 40 o 18.372  5.3101  2.63184      2.23945  2.0903       2.57102  12.3041     347.236     3.67261     167.236     
1 1 1 14 18 41 o 14.3826 4.51264 2.03413      2.13651  -2.49768     2.2467   5.16144     143.678     1.25323     143.678     
1 1 1 14 18 42 o 17.2105 4.96167 -0.678822    2.29831  3.8788       2.32115  12.395      114.977     3.56793     114.977     
1 1 1 14 18 43 o 15.5125 4.91954 0.341758     2.26117  1.66143      2.59759  4.18969     117.208     1.01325     117.208     
1 1 1 14 18 44 o 15.8801 5.00324 1.9899       2.57383  0.380676     2.39836  6.00433     203.494     4.02446     23.494      
1 1 1 14 18 45 o 17.1723 5.16708 1.56872      2.37301  2.74713      2.43992  7.98473     95.8389     0.567821    275.839     
1 1 1 14 18 46 o 12.908  4.33378 -1.24259     2.24799  0.232308     2.40675  2.19832     135.183     1.04302     315.183     
1 1 1 14 18 47 o 14.8841 4.80511 0.881393     2.43133  1.3045       2.4685   8.1144      206.699     4.75458     26.6993     
1 1 1 14 19 0  o 20.8809 6.83532 3.62908      2.4261   3.62908      2.4261   9.48523     9.88768e-06 0.224796    180         
1 1 1 14 19 1  o 13.4343 4.4013  -1.25509     2.20024  -2.0312      2.13185  0.383901    111.799     4.38403     111.799     
1 1 1 14 19 2  o 43.3408 4.23521 12.7997      2.80598  9.05301      2.64819  37.4268     35.9801     2.0617      215.98      
1 1 1 14 19 3  o 90.468  2.63782 45.947       3.50048  44.8543      3.82105  102.684     323.887     37.9626     323.887     
1 1 1 14 19 4  o 60.9202 3.55819 23.1214      2.80434  18.9014      3.62132  73.0348     331.772     36.3025     331.772     
1 1 1 14 19 5  o 41.7371 4.56328 9.42382      2.58822  10.9604      3.09104  43.8325     312.67      15.7718     312.67      
1 1 1 14 19 6  o 33.5858 4.78298 6.40584      2.36688  7.00105      2.40948  27.3682     200.996     2.02691     20.9964     
1 1 1 14 19 7  o 20.922  4.8459  3.8436       1.95895  0.645913     1.97185  10.2215     57.7708     4.11358     237.771     
1 1 1 14 19 8  o 50.1467 3.24538 17.6575      2.44951  11.0825      2.39826  49.5228     131.295     9.05314     131.295     
1 1 1 14 19 9  o 63.4825 2.78983 25.8145      2.71874  19.3969      2.67011  51.884      40.2011     12.7849     220.201     
1 1 1 14 19 10 o 62.818  2.74157 21.5952      2.65351  22.4553      2.62303  61.4258     183.949     8.08708     183.949     
1 1 1 14 19 11 o 82.4017 2.43271 39.1103      3.08448  36.267       3.07261  76.9922     333.731     1.71189     333.731     
1 1 1 14 19 12 o 79.2192 2.71597 31.0068      3.28688  39.2629      3.28167  65.908      326.579     14.5463     146.579     
1 1 1 14 19 13 o 58.8433 2.8397  17.9616      2.57131  20.923       2.52733  49.6561     358.258     8.1514      178.258     
1 1 1 14 19 14 o 48.5844 3.38844 11.4066      2.54636  15.6243      2.35534  36.3419     150.811     15.213      330.811     
1 1 1 14 19 15 o 26.0344 4.66792 2.5812       2.0564   5.56449      1.86227  21.3134     301.239     4.19865     301.239     
1 1 1 14 19 16 o 37.6391 3.80086 6.75173      2.14457  9.83419      2.04141  19.7279     174.959     27.7674     354.959     
1 1 1 14 19 17 o 24.6297 4.67931 2.59321      1.91795  4.72734      1.81815  20.6244     143.178     8.36396     143.178     
1 1 1 14 19 18 o 51.9877 3.09054 16.4661      2.49699  14.2403      2.40096  30.9234     213.934     33.1716     33.9337     
1 1 1 14 19 19 o 26.4697 4.5771  2.80266      1.92865  5.79685      1.89446  18.887      302.994     7.10125     122.994     
1 1 1 14 19 20 o 28.491  4.62904 5.36233      2.08407  4.59906      1.89481  27.6575     173.155     7.28665     173.155     
1 1 1 14 19 21 o 46.41   3.59219 12.4526      2.5242   12.5912      2.52636  43.0212     24.7498     2.23854     24.7499     
1 1 1 14 19 22 o 31.1963 4.56557 6.24516      2.02489  5.72981      2.21398  26.6739     14.8953     0.417313    194.895     
1 1 1 14 19 23 o 22.5167 4.83433 2.9537       1.83052  3.35044      1.82121  17.3894     236.481     1.11376     236.481     
1 1 1 14 19 24 o 35.5042 4.02358 8.57576      2.12694  6.65905      2.10109  38.6197     16.8268     17.2181     16.8268     
1 1 1 14 19 25 o 18.5738 4.79016 1.0497       1.94905  2.53799      1.73779  9.63241     251.524     5.47948     71.5244     
1 1 1 14 19 26 o 29.3411 4.53563 4.59506      1.9862   6.22296      2.00838  11.6813     233.026     27.5532     53.0265     
1 1 1 14 19 27 f 41.7087 3.70095 7.79255      2.24604  13.2283      2.22807  38.9696     346.769     0           0           
1 1 1 14 19 28 o 29.7292 4.54965 7.82121      2.06526  3.64785      2.05707  19.3726     185.819     12.1345     5.8187      
1 1 1 14 19 29 o 47.7128 3.60955 13.398       2.6131   13.9421      2.60729  52.5549     224.386     20.8436     224.386     
1 1 1 14 19 30 o 22.986  5.41004 3.27158      2.22055  3.98274      2.27228  10.1904     172.583     17.7229     352.583     
1 1 1 14 19 31 o 14.0572 4.42424 -0.586228    1.88402  0.432678     1.99266  4.89599     126.276     7.60059     306.276     
1 1 1 14 19 32 o 22.1726 5.01426 1.57363      2.17512  4.9629       2.06676  20.357      167.77      6.68378     167.77      
1 1 1 14 19 33 o 26.7574 5.04121 2.83057      2.28189  7.34568      2.29323  23.5549     23.7564     2.35857     23.7564     
1 1 1 14 19 34 o 13.0464 4.22133 0.335754     1.98811  -1.66489     1.8814   3.85192     0.267582    2.97795     180.268     
1 1 1 14 19 35 o 16.609  4.89381 1.1835       2.07139  1.54272      2.08463  9.6302      328.03      1.2502      148.03      
1 1 1 14 19 36 o 15.1188 4.71115 -2.49182     2.53033  1.91283      2.1923   7.29892     51.9065     1.64591     51.9065     
1 1 1 14 19 37 o 15.8491 4.97905 -0.548937    2.45405  1.76534      2.50796  11.3186     91.1892     1.62789     91.1892     
1 1 1 14 19 38 o 19.1347 5.7041  2.51288      3.11025  2.79527      2.66942  13.1265     346.232     3.37679     166.232     
1 1 1 14 19 39 o 19.314  5.64173 2.45285      2.27583  3.55703      3.18264  13.2907     85.4158     2.84623     265.416     
1 1 1 14 19 40 o 16.9368 5.04511 2.5798       2.23446  0.873055     2.36393  10.7117     257.06      4.11953     257.06      
1 1 1 14 19 41 o 12.1688 4.1599  -2.00153     2.18797  -1.59331     2.52291  4.07604     48.1168     4.66233     228.117     
1 1 1 14 19 42 o 13.3766 4.41136 -2.28935     2.22878  1.00029      2.3353   3.50502     327.794     5.67912     147.794     
1 1 1 14 19 43 o 18.9624 5.35534 1.84448      2.40705  4.06707      2.44595  6.96754     12.9138     1.72162     12.9138     
1 1 1 14 19 44 o 16.8808 4.93985 4.19894      2.37779  -1.08611     2.37848  8.47553     108.306     0.159076    288.306     
1 1 1 14 19 45 o 18.0273 5.31837 2.20846      2.45048  3.92556      2.5228   12.5359     298.393     1.17807     298.393     
1 1 1 14 19 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 20 0  o 20.6991 6.78434 3.60181      2.39047  3.60181      2.39047  3.43982     180         30.2636     2.23112e-05 
1 1 1 14 20 1  o 52.6209 3.70618 16.7305      3.01829  14.9584      2.90573  43.8128     267.17      7.29318     87.17       
1 1 1 14 20 2  f 85.0065 2.77837 35.3922      3.51871  45.6035      3.71194  63.7372     355.893     0           0           
1 1 1 14 20 3  o 15.0035 4.53332 -0.679506    1.88847  0.751271     1.88966  3.81329     218.972     27.3967     218.972     
1 1 1 14 20 4  o 13.7141 4.35483 -0.148758    1.92717  -1.41879     1.9439   6.33807     8.67834     30.2085     8.67834     
1 1 1 14 20 5  f 23.426  5.359   3.30393      2.32294  3.1695       2.0889   9.22475     241.404     0           0           
1 1 1 14 20 6  o 64.3671 2.80919 21.8597      2.81039  24.5786      2.71619  57.237      249.295     2.82947     69.2946     
1 1 1 14 20 7  o 38.6343 3.86365 9.87666      2.23982  7.50842      2.19618  20.454      21.4387     27.7574     201.439     
1 1 1 14 20 8  o 63.3954 2.80569 25.0422      2.78331  20.1257      2.65387  69.902      64.8476     25.1785     64.8476     
1 1 1 14 20 9  o 20.5282 4.79698 3.6143       1.90416  0.90354      1.86432  10.2295     281.627     7.09959     101.627     
1 1 1 14 20 10 o 95.1505 2.7772  52.2689      3.5765   49.0211      4.4563   100.425     30.4504     26.0217     30.4504     
1 1 1 14 20 11 o 59.6184 3.05349 19.6711      2.63094  20.4556      2.93354  59.2643     343.817     10.695      343.817     
1 1 1 14 20 12 o 17.6543 4.79517 1.68257      1.75711  1.00393      1.93883  3.60976     34.6263     18.0673     214.626     
1 1 1 14 20 13 o 31.3863 4.27158 5.07014      2.01604  6.71347      1.9509   27.969      350.329     3.08719     350.329     
1 1 1 14 20 14 o 25.1513 4.54938 5.16116      1.84511  2.56039      1.80541  14.6689     255.225     12.6515     75.2254     
1 1 1 14 20 15 o 19.7497 4.69127 2.37451      1.69638  2.09321      1.6748   4.7454      276.431     22.7805     96.4309     
1 1 1 14 20 16 f 18.9997 4.50036 0.887343     1.662    2.98105      1.62542  15.6512     290.948     0           0           
1 1 1 14 20 17 o 65.3214 2.72526 22.611       2.65141  25.5275      2.80633  50.452      7.39742     18.503      187.397     
1 1 1 14 20 18 o 21.6917 4.7137  3.0895       1.73569  2.64845      1.72345  17.18       124.715     1.87056     124.715     
1 1 1 14 20 19 o 32.607  4.01817 6.34647      1.9861   6.40518      1.90117  30.6104     123.835     5.32459     123.835     
1 1 1 14 20 20 o 42.8351 4.33618 6.99962      2.56261  15.9244      2.65681  35.9947     188.726     4.04434     8.72615     
1 1 1 14 20 21 o 21.768  4.87982 3.80632      1.90491  2.01298      1.86568  11.6747     232.347     10.8102     52.3468     
1 1 1 14 20 22 o 37.5193 3.83934 8.25519      2.22805  8.571        2.07025  31.4109     180.648     2.66604     0.648051    
1 1 1 14 20 23 o 15.1179 4.31456 0.671973     1.56371  0.983742     1.54073  3.29366     106.151     11.606      286.151     
1 1 1 14 20 24 o 20.6913 4.56797 1.1712       1.786    3.87376      1.71195  12.821      253.289     4.01065     73.2893     
1 1 1 14 20 25 o 16.898  4.52393 0.649299     1.70164  2.0882       1.63315  6.49248     2.84776     1.32354     182.848     
1 1 1 14 20 26 o 13.7066 4.15998 0.529008     1.60497  -0.0393473   1.55591  2.29719     34.4263     3.58864     214.426     
1 1 1 14 20 27 o 28.0214 4.73893 4.94749      1.97199  5.34812      2.06318  10.496      54.1901     27.2339     234.19      
1 1 1 14 20 28 o 21.3324 4.98268 4.24396      2.03252  1.6692       1.97067  14.2187     19.8996     7.92264     19.8996     
1 1 1 14 20 29 o 18.3851 4.98172 1.42949      2.02114  2.49363      1.97602  12.4        222.502     0.91228     42.5018     
1 1 1 14 20 30 o 11.7274 3.86338 -1.28142     1.73449  -0.753482    1.67885  2.70164     189.189     2.37961     9.18929     
1 1 1 14 20 31 o 26.8008 5.18275 6.13654      2.29367  4.13156      2.16023  25.193      178.839     6.42175     178.839     
1 1 1 14 20 32 o 13.5206 4.43679 -1.12577     2.53601  -0.524941    1.89038  2.10143     290.332     0.515312    110.332     
1 1 1 14 20 33 o 35.2543 4.64393 11.1732      2.448    6.05312      2.35933  23.0679     219.686     15.1819     39.6855     
1 1 1 14 20 34 o 16.3516 4.84504 1.09125      2.04685  1.52817      2.06273  8.45061     327.39      7.14622     147.39      
1 1 1 14 20 35 o 16.2561 4.89362 0.997411     2.137    1.53478      2.16634  5.52267     282.189     3.13209     282.189     
1 1 1 14 20 36 o 12.9554 4.26627 0.259716     2.10683  -2.0243      2.1217   6.15457     43.0826     2.17883     223.083     
1 1 1 14 20 37 o 15.0199 4.72734 -1.40567     2.5139   1.74909      2.18051  8.13903     287.212     1.3609      287.212     
1 1 1 14 20 38 o 12.9778 4.36077 -2.89578     2.43346  0.00572679   2.39295  5.14977     112.256     2.47573     292.256     
1 1 1 14 20 39 o 17.9964 5.17828 3.44223      2.30752  1.22169      2.35724  12.9527     187.028     0.661594    187.028     
1 1 1 14 20 40 o 16.3957 5.10287 2.2261       2.66567  0.881437     2.32424  8.95704     300.384     0.738022    120.384     
1 1 1 14 20 41 o 12.8457 4.37485 -1.08637     2.48264  -2.15862     2.67043  1.10086     87.6677     2.83106     267.668     
1 1 1 14 20 42 o 13.6024 4.53253 -2.36335     2.24883  1.22285      2.6569   1.74041     278.756     2.20689     98.7558     
1 1 1 14 20 43 o 15.7863 5.03243 1.83601      2.39841  1.23019      2.8292   4.87788     93.2365     12.6128     273.237     
1 1 1 14 20 44 o 11.8856 4.11161 -1.13357     2.43392  -3.1238      2.64294  2.83184     264.975     0.907121    84.9751     
1 1 1 14 20 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 21 0  o 34.5658 5.35021 7.6136       2.49355  7.6136       2.49355  7.39669     180         48.9873     8.65148e-06 
1 1 1 14 21 1  f 47.6365 3.8253  12.8566      2.70174  13.3904      2.81136  62.3446     22.9224     0           0           
1 1 1 14 21 2  o 25.1292 5.22749 2.94177      1.97681  4.84837      2.37694  18.1817     303.715     2.15394     123.715     
1 1 1 14 21 3  o 11.0353 3.76279 -2.04561     1.70362  -3.54799     2.14371  2.22457     45.1654     11.2803     45.1654     
1 1 1 14 21 4  o 11.967  3.95462 -1.90879     1.7795   -1.20275     1.83824  0.434215    202.285     6.09793     202.285     
1 1 1 14 21 5  o 29.4449 4.84465 4.8757       2.21909  5.70652      2.09857  19.8012     64.2155     10.0596     244.216     
1 1 1 14 21 6  o 57.7028 2.95573 18.9536      2.62675  18.6237      2.59035  59.8502     257.457     16.0055     257.457     
1 1 1 14 21 7  o 25.1411 4.93431 3.71247      1.97813  4.03476      1.9795   11.3126     263.172     19.4418     83.172      
1 1 1 14 21 8  o 31.5415 4.41016 5.02032      2.06102  6.99535      2.06575  28.0789     148.857     2.83019     148.857     
1 1 1 14 21 9  o 14.1834 4.32538 0.0454672    1.73426  0.0652288    1.70349  3.4269      239.506     5.78367     59.5055     
1 1 1 14 21 10 o 68.9397 2.71191 27.3696      2.81818  26.0476      2.91205  71.088      102.892     17.0635     102.892     
1 1 1 14 21 11 o 50.1011 3.08631 16.1631      2.33951  12.5274      2.33967  41.8457     261.851     6.61266     81.8512     
1 1 1 14 21 12 o 15.6004 4.32745 -0.482323    1.63705  1.85706      1.61892  5.83094     265.872     10.4026     85.8718     
1 1 1 14 21 13 o 20.2522 4.74205 2.12114      1.73877  2.69804      1.72008  6.37281     254.754     20.5378     74.7539     
1 1 1 14 21 14 o 16.7364 4.4539  1.37358      1.56788  1.3533       1.55302  8.52994     38.1163     1.69953     218.116     
1 1 1 14 21 15 o 20.0139 4.48265 3.25941      1.63449  1.46838      1.57638  6.58474     32.06       19.0949     212.06      
1 1 1 14 21 16 o 13.7085 3.95444 -0.656809    1.41782  1.2599       1.38696  2.33546     151.468     10.0457     331.468     
1 1 1 14 21 17 o 20.1848 4.57119 2.60524      1.53249  2.31966      1.69419  10.9992     120.407     7.9716      300.407     
1 1 1 14 21 18 o 15.1666 4.20276 1.09413      1.40087  0.844042     1.46222  3.43985     162.617     2.53678     342.617     
1 1 1 14 21 19 o 15.7615 4.85937 0.877132     1.93812  -1.25965     2.69645  3.57791     149.366     2.09448     329.366     
1 1 1 14 21 20 o 16.2425 5.14975 -0.189974    1.92718  -0.00462536  3.29907  6.67148     227.877     38.7495     227.877     
1 1 1 14 21 21 o 24.613  4.56675 3.26302      1.83492  4.38618      1.70622  10.2778     327.917     20.1418     147.917     
1 1 1 14 21 22 o 23.4943 4.48422 2.4755       1.71065  4.52991      1.70826  13.7608     12.8952     8.33597     12.8952     
1 1 1 14 21 23 o 34.0342 5.36972 4.28191      2.84384  11.6923      2.92244  35.0811     143.372     14.2769     143.372     
1 1 1 14 21 24 o 19.6616 5.5066  2.16066      2.50825  2.10352      2.44383  11.9154     183.695     2.21562     183.695     
1 1 1 14 21 25 o 46.3116 4.536   14.104       3.14056  13.2942      3.15163  53.3633     70.1291     26.5765     70.1291     
1 1 1 14 21 26 o 21.8493 6.01289 1.22213      2.92748  4.86287      3.13088  14.0371     207.67      5.86939     27.6702     
1 1 1 14 21 27 o 25.1894 5.43414 7.13355      2.53754  1.35043      2.90376  13.8884     338.74      14.558      158.74      
1 1 1 14 21 28 o 22.9087 6.18948 5.59656      3.35934  2.28474      2.82725  12.5274     204.464     12.6534     24.464      
1 1 1 14 21 29 o 39.1942 4.98833 7.59414      2.52747  13.8984      3.28947  37.8721     338.008     7.96056     338.008     
1 1 1 14 21 30 o 19.9837 5.32049 2.52679      2.15202  2.96887      2.30289  1.00279     12.792      35.1807     12.7921     
1 1 1 14 21 31 o 15.3792 4.49036 -4.53939     2.18885  3.12111      2.15081  4.182       262.066     14.1884     82.0658     
1 1 1 14 21 32 o 15.2004 4.73052 -2.03411     2.38387  1.95537      2.25266  3.64063     180.581     15.8641     0.581185    
1 1 1 14 21 33 o 31.1475 4.84256 8.1877       2.32894  5.80179      2.20961  17.7955     303.082     18.3424     123.082     
1 1 1 14 21 34 o 17.5335 5.12392 2.50095      2.22479  1.28065      2.33949  8.2097      123.332     11.1926     303.332     
1 1 1 14 21 35 o 21.4995 4.78338 -0.396456    2.20872  6.58807      2.29583  12.5422     357.237     10.037      177.237     
1 1 1 14 21 36 o 14.5274 4.59408 -0.0549216   2.14034  0.986967     2.10384  7.61579     280.978     1.69291     100.978     
1 1 1 14 21 37 o 20.6699 5.5374  5.56756      2.63719  1.5432       2.59467  16.4889     238.001     2.18832     238.001     
1 1 1 14 21 38 o 15.9132 4.99645 -0.602598    2.23442  2.87599      2.72387  8.62597     3.34655     2.13985     183.347     
1 1 1 14 21 39 o 27.3392 5.80562 6.80764      2.77999  6.50215      2.50723  18.1961     3.92308     7.57405     183.923     
1 1 1 14 21 40 o 13.4572 4.52433 -1.07302     2.51781  -0.546251    2.59327  0.758125    232.274     1.37346     52.274      
1 1 1 14 21 41 o 20.1228 5.12114 6.66876      2.50201  -1.56778     2.9485   14.422      187.74      4.35395     187.74      
1 1 1 14 21 42 o 15.693  4.99153 -1.12326     2.4412   3.81804      2.80188  7.53424     228.981     6.41652     48.981      
1 1 1 14 21 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 22 0  o 13.8388 5.80232 1.35949      2.14384  1.35949      2.14384  3.45188     7.56209e-05 1.37862     180         
1 1 1 14 22 1  o 14.3708 4.43604 -2.65013     1.99315  1.12823      2.02162  2.04855     103.439     16.283      283.439     
1 1 1 14 22 2  o 45.2962 3.37778 12.2858      2.31521  11.3707      2.32207  42.5021     123.604     4.53896     123.604     
1 1 1 14 22 3  o 62.5613 3.12254 19.3193      3.03103  25.473       2.86655  66.9321     149.626     21.4673     149.626     
1 1 1 14 22 4  o 40.4523 3.83785 11.7838      2.36786  7.64952      2.22208  35.7724     292.263     0.258439    292.263     
1 1 1 14 22 5  o 16.294  4.63014 0.409919     1.79063  1.42557      1.8023   7.73991     179.079     1.24026     359.079     
1 1 1 14 22 6  o 14.3122 4.41693 -0.683011    1.73344  0.506368     1.96004  3.11828     322.714     1.56598     142.714     
1 1 1 14 22 7  o 39.8813 3.71414 8.50997      2.2028   10.1976      2.23244  32.4201     273.918     5.36896     93.9175     
1 1 1 14 22 8  o 20.3153 4.9314  2.4086       1.88188  2.42345      1.84265  12.5793     234.86      5.22547     234.86      
1 1 1 14 22 9  o 50.7874 3.06662 14.8726      2.35426  14.6736      2.39583  44.7833     261.372     0.880029    81.3725     
1 1 1 14 22 10 o 50.9312 3.04004 15.3342      2.33631  14.3871      2.38329  55.942      346.859     22.0703     346.859     
1 1 1 14 22 11 o 14.6408 4.37775 -0.0764084   1.86894  0.716453     1.57326  1.85838     230.913     15.0259     50.9127     
1 1 1 14 22 12 o 23.1331 4.5655  3.52786      1.70708  3.15206      1.67151  13.1745     145.865     10.4419     325.865     
1 1 1 14 22 13 o 13.9012 3.85262 1.78278      1.39597  -1.272       1.36168  0.292265    323.637     18.4038     323.637     
1 1 1 14 22 14 o 9.86736 3.21197 -0.51285     1.12218  -0.977202    1.13698  2.14394     268.698     9.47828     268.698     
1 1 1 14 22 15 o 40.5187 3.82917 11.2128      2.50752  8.47144      2.15223  19.8935     322.915     31.5363     142.915     
1 1 1 14 22 16 o 36.7914 4.49004 6.70995      1.82311  10.2349      3.08661  34.6683     16.509      7.03106     16.509      
1 1 1 14 22 17 o 39.4966 5.35562 10.7233      2.95229  9.46438      3.30204  32.8674     36.8423     2.14787     216.842     
1 1 1 14 22 18 o 15.5098 5.04505 -2.1653      3.25241  -0.332261    2.37887  2.48627     92.2582     1.81856     272.258     
1 1 1 14 22 19 o 36.8223 6.09693 10.2279      3.50746  8.60599      3.29179  36.4348     320.049     11.6181     320.049     
1 1 1 14 22 20 o 37.9206 5.91186 14.09        3.00299  6.0291       4.08473  41.1342     25.9187     19.6292     25.9187     
1 1 1 14 22 21 o 19.2384 5.67606 1.38568      3.01127  1.91759      2.61538  10.9476     224.806     3.55372     44.8055     
1 1 1 14 22 22 o 27.8866 5.90706 4.89503      2.74878  6.38516      2.76461  14.6041     168.215     17.5135     348.215     
1 1 1 14 22 23 o 17.9022 5.42458 0.929319     2.53824  1.47023      2.79938  9.49624     170.182     5.97903     350.182     
1 1 1 14 22 24 o 60.0423 5.37976 31.0653      4.19331  18.3325      4.78472  58.7715     96.5128     11.5414     96.5128     
1 1 1 14 22 25 o 23.9457 6.96233 5.00628      3.15467  2.78094      6.36881  11.5192     101.54      16.3878     281.54      
1 1 1 14 22 26 o 22.3747 6.60645 3.3459       3.20498  4.00511      4.44163  18.5272     310.805     4.74835     310.805     
1 1 1 14 22 27 o 15.9353 5.0498  1.22866      2.6474   -0.867475    2.53496  5.53067     51.1449     11.9073     231.145     
1 1 1 14 22 28 o 13.4671 4.50814 -3.14284     2.51042  -0.353835    2.53134  3.79913     68.2328     5.08523     248.233     
1 1 1 14 22 29 o 12.2982 4.22362 -5.47555     2.54024  -1.03412     2.56378  2.06328     20.3867     1.73031     200.387     
1 1 1 14 22 30 o 32.4263 5.28965 13.7551      3.00909  2.70328      3.28126  29.3319     168.189     3.89014     168.189     
1 1 1 14 22 31 f 17.4544 5.31082 2.68715      2.60668  0.250947     2.70941  7.44314     49.7713     0           0           
1 1 1 14 22 32 o 22.2027 6.01975 4.86036      2.89199  3.7389       2.91092  11.3631     302.03      13.5056     122.03      
1 1 1 14 22 33 o 16.7969 5.24524 1.74698      2.62551  1.00602      2.71441  11.082      233.452     1.91179     233.452     
1 1 1 14 22 34 o 15.6127 5.09431 1.09225      2.82673  -0.537654    2.93529  8.1406      40.6006     4.80387     220.601     
1 1 1 14 22 35 o 16.5713 5.41124 2.36498      3.62295  0.00940772   2.74138  10.2575     115.759     1.14323     115.759     
1 1 1 14 22 36 o 21.0895 5.89854 1.25755      3.48494  6.227        2.95867  17.0232     114.183     5.78555     114.183     
1 1 1 14 22 37 o 18.8437 5.9534  3.3337       3.52929  2.66136      3.53623  6.90352     62.8099     2.21249     62.8099     
1 1 1 14 22 38 o 13.3982 4.43858 -4.80342     1.78222  2.897        2.72451  1.50374     242.863     4.53418     62.8634     
1 1 1 14 22 39 o 17.4406 5.34278 2.18783      2.3855   2.76561      2.9108   7.53832     265.546     1.07816     265.546     
1 1 1 14 22 40 o 13.7023 4.57977 -0.586975    2.24834  0.734528     2.78335  3.61094     101.347     0.633079    281.347     
1 1 1 14 22 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 23 0  f 22.0077 7.50884 4.40713      2.95506  4.40713      2.95506  41.5515     180         0           0           
1 1 1 14 23 1  o 44.3994 3.80385 12.3615      2.35482  11.0032      2.68533  34.5452     347.819     8.59476     167.819     
1 1 1 14 23 2  o 15.6929 4.59103 1.01668      1.76764  0.380983     1.87203  3.31534     247.282     1.80542     67.2823     
1 1 1 14 23 3  o 11.7138 3.84424 -0.570095    1.67926  -1.97306     1.68401  1.53205     203.755     13.4856     203.755     
1 1 1 14 23 4  o 23.3595 4.95218 4.28827      2.02641  2.62786      1.87248  15.6239     277.982     4.31328     97.9816     
1 1 1 14 23 5  f 21.0117 4.92342 2.16091      1.8868   3.20795      1.86841  26.0274     24.2753     0           0           
1 1 1 14 23 6  o 35.2263 4.10443 8.1354       2.21181  6.92339      2.08467  23.9721     262.757     12.5022     82.7567     
1 1 1 14 23 7  o 17.8832 4.72839 1.00788      1.83962  2.21134      1.74131  5.99089     102.002     13.059      282.002     
1 1 1 14 23 8  o 39.9081 3.6242  8.08612      2.16724  10.8317      2.12536  35.3942     77.0436     2.17052     77.0436     
1 1 1 14 23 9  o 25.5241 4.56322 3.0027       1.86304  5.21854      1.81173  18.7269     288.127     2.6161      108.127     
1 1 1 14 23 10 o 25.4267 4.79768 4.30304      2.07128  3.93716      1.75789  14.937      309.947     11.0712     129.947     
1 1 1 14 23 11 o 13.5946 4.04835 0.98603      1.4186   -0.810457    1.62865  1.55502     109.512     5.19412     289.512     
1 1 1 14 23 12 o 27.089  4.07761 4.90127      1.66867  4.13733      1.63063  16.3686     303.975     11.7387     123.976     
1 1 1 14 23 13 o 12.5764 3.64571 -1.09676     1.10572  1.36391      1.35204  0.591347    294.559     5.26809     114.559     
1 1 1 14 23 14 o 19.0272 3.2556  -0.913621    1.29356  4.52637      1.28404  6.44241     35.3428     16.1442     215.343     
1 1 1 14 23 15 o 52.6971 5.0307  14.5666      3.95498  21.1942      3.77938  39.2641     46.7862     13.9847     226.786     
1 1 1 14 23 16 o 22.5722 5.96637 1.75476      2.72683  4.72583      3.00782  16.31       12.5872     5.62485     12.5872     
1 1 1 14 23 17 o 17.8299 5.27429 -1.26647     2.53886  2.82776      2.64554  3.28978     268.656     20.2626     88.6555     
1 1 1 14 23 18 o 33.5703 5.97412 11.9668      3.57721  4.84174      2.8741   34.1138     218.111     13.8409     218.111     
1 1 1 14 23 19 o 19.6865 5.78652 4.64284      3.32378  -2.89818     3.23821  10.9249     329.817     4.2134      329.817     
1 1 1 14 23 20 o 15.8678 5.15354 0.167447     2.44163  -1.6416      3.43462  7.22291     71.6191     0.988333    251.619     
1 1 1 14 23 21 o 24.2835 5.43397 7.21112      2.70562  0.561689     2.73883  16.6228     316.386     6.2261      136.386     
1 1 1 14 23 22 o 18.822  5.44811 -0.177299    2.52953  3.62254      2.7592   13.778      164.7       1.21453     164.7       
1 1 1 14 23 23 o 31.0324 6.56685 8.48452      3.43219  7.18217      3.35006  23.2632     235.478     5.36399     55.4784     
1 1 1 14 23 24 o 25.6876 6.55789 5.28847      3.36152  5.72898      3.2948   21.8363     293.17      3.92032     293.17      
1 1 1 14 23 25 o 21.4295 5.87452 4.08002      2.69502  2.56877      2.95449  13.4422     332.949     5.64549     152.949     
1 1 1 14 23 26 o 31.7212 6.19178 7.20992      3.03267  9.10799      3.23749  32.6964     71.6096     14.6214     71.6096     
1 1 1 14 23 27 o 40.412  5.90211 12.7076      3.40721  12.4945      3.69153  42.2763     357.839     16.1948     357.839     
1 1 1 14 23 28 o 18.888  5.5915  0.887882     2.84783  3.54651      2.78743  13.2187     182.618     2.00365     2.61752     
1 1 1 14 23 29 o 17.1786 5.35414 1.27215      2.7132   1.54763      2.80494  10.6432     7.52746     3.93614     187.527     
1 1 1 14 23 30 o 24.6615 6.10051 4.26842      2.85491  6.66059      2.96514  20.1792     81.2264     1.19438     81.2264     
1 1 1 14 23 31 o 27.7648 6.20585 5.00032      2.95892  9.24884      3.21716  20.9779     311.777     3.39283     131.777     
1 1 1 14 23 32 o 19.7923 6.05618 0.764515     2.77718  6.31404      3.9857   12.9565     160.02      3.46362     340.02      
1 1 1 14 23 33 o 18.7753 5.90674 2.02924      2.89133  3.89964      3.94394  13.3845     358.27      1.71394     358.27      
1 1 1 14 23 34 o 23.63   6.35914 6.47108      2.98595  5.10148      3.72599  17.1494     258.662     1.78629     78.6619     
1 1 1 14 23 35 o 25.9227 6.93825 7.14947      3.79321  8.5912       3.83807  20.8309     206.714     4.1971      206.713     
1 1 1 14 23 36 o 16.0853 5.27756 1.41907      2.9041   0.12762      3.44706  2.8079      14.7673     0.990061    194.767     
1 1 1 14 23 37 o 14.7098 4.97135 -0.936638    2.7527   0.722636     3.49156  2.92053     0.100514    1.2035      180.101     
1 1 1 14 23 38 f 14.5489 4.80869 -0.708242    2.68421  1.64821      2.71835  4.10873     205.784     0           0           
1 1 1 14 23 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 23 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 24 0  o 9.39292 4.68834 -2.80275     2.7233   -2.80275     2.7233   0.352964    180         1.32635     180         
1 1 1 14 24 1  o 53.5018 3.791   13.0862      2.68303  21.5274      3.47816  46.6679     64.4658     0.0537575   64.4678     
1 1 1 14 24 2  o 47.2335 3.76123 15.1132      2.7597   11.5858      2.59253  46.8622     301.108     12.5624     301.108     
1 1 1 14 24 3  o 35.2776 4.63633 6.91014      2.34704  8.76593      2.5033   33.8392     175.238     9.6796      175.238     
1 1 1 14 24 4  o 20.0514 4.75143 0.949605     1.87096  3.66446      1.85077  11.885      52.9565     0.930145    232.957     
1 1 1 14 24 5  o 16.9567 4.64903 0.600278     1.77959  2.02272      1.7726   6.52412     14.3418     5.80918     194.342     
1 1 1 14 24 6  o 15.1601 4.42513 1.00274      1.69159  0.445037     1.67098  1.55773     93.1222     16.4323     273.122     
1 1 1 14 24 7  o 22.9219 4.60515 5.03766      1.87346  1.5971       1.82013  8.83695     335.233     18.9585     155.233     
1 1 1 14 24 8  o 52.3813 2.9076  16.1318      2.32979  15.5819      2.32276  48.6281     22.4839     6.09428     22.4839     
1 1 1 14 24 9  o 10.9687 3.54036 -1.55008     1.39675  -0.073628    1.33368  1.13301     12.8055     9.68764     12.8055     
1 1 1 14 24 10 o 26.0224 4.29845 5.4583       1.72629  3.21282      1.70724  13.0405     40.9877     16.6713     220.988     
1 1 1 14 24 11 o 13.3549 4.10163 0.143674     1.43081  0.137376     1.70121  0.991203    287.377     1.53615     107.377     
1 1 1 14 24 12 f 25.2022 4.40742 1.84382      1.06059  7.25959      2.48603  20.8356     120.298     0           0           
1 1 1 14 24 13 o 29.3737 5.84766 5.99343      2.74262  6.40253      2.7724   25.1551     122.14      3.24223     122.14      
1 1 1 14 24 14 o 42.4795 4.93631 11.6016      3.12657  12.2132      3.10471  34.8522     155.42      3.33432     335.42      
1 1 1 14 24 15 o 17.1873 5.25652 0.00882693   2.49379  1.66894      2.65415  2.64602     94.3236     0.867596    94.3236     
1 1 1 14 24 16 o 31.3618 5.9535  9.9677       3.04071  4.76863      3.24807  32.3035     110.076     14.4547     110.076     
1 1 1 14 24 17 o 36.0254 5.41509 6.63039      2.93248  11.9292      2.95067  40.9426     215.436     22.678      215.436     
1 1 1 14 24 18 o 18.2919 5.64328 1.81649      3.3758   0.914963     2.58688  9.20313     148.436     9.29526     328.436     
1 1 1 14 24 19 o 29.7115 6.44269 6.65413      2.88097  7.58826      3.59628  30.3017     145.545     13.9235     145.545     
1 1 1 14 24 20 o 21.7409 5.81896 2.33278      2.73847  4.41811      2.72788  7.05716     175.212     21.0258     355.212     
1 1 1 14 24 21 o 23.325  6.27533 3.02825      3.16059  5.52111      3.2078   16.4192     161.485     2.91644     341.485     
1 1 1 14 24 22 o 19.5035 5.87903 2.63682      3.10104  1.9116       3.12741  5.21526     211.24      19.8379     31.2399     
1 1 1 14 24 23 o 37.344  5.58552 7.81586      3.13635  13.2484      3.13904  36.3449     272.713     10.2606     272.713     
1 1 1 14 24 24 o 19.6124 5.59183 4.26499      2.73525  0.551126     2.81077  15.0538     76.049      3.00803     76.049      
1 1 1 14 24 25 o 20.5877 5.89756 3.1475       2.86263  3.48336      2.95185  17.7677     77.6436     8.99525     77.6436     
1 1 1 14 24 26 o 24.5542 6.2144  6.42035      2.99735  4.32206      3.09487  22.0303     33.4911     5.81966     33.4911     
1 1 1 14 24 27 o 17.937  5.40437 0.00553617   2.72258  3.54072      2.76802  13.0791     222.03      2.38295     222.03      
1 1 1 14 24 28 o 15.1374 4.92427 0.928244     2.61149  -0.768625    2.72777  6.43081     99.8258     1.44771     99.8258     
1 1 1 14 24 29 o 15.7135 5.04732 1.20784      2.64066  0.0609014    2.70903  6.78437     209.667     1.97133     209.667     
1 1 1 14 24 30 o 22.5178 6.32027 4.53575      3.73161  5.6418       3.03065  16.1065     190.964     2.24674     10.9644     
1 1 1 14 24 31 o 17.3807 5.36046 3.11531      2.74809  0.622726     2.79109  11.4921     106.113     1.9413      106.113     
1 1 1 14 24 32 o 30.5589 5.85199 13.7053      3.39163  3.93464      3.44637  22.5495     62.2016     4.37196     242.202     
1 1 1 14 24 33 f 14.5309 4.84944 -0.115924    2.8055   -0.560302    2.86942  12.2667     290.788     0           0           
1 1 1 14 24 34 o 16.8506 5.36538 -1.5187      3.63255  3.24602      2.83544  1.81358     74.8309     0.0266029   254.831     
1 1 1 14 24 35 o 15.4606 5.21361 1.38254      3.44107  -0.852044    3.49726  5.25348     349.676     1.85095     169.676     
1 1 1 14 24 36 o 14.3017 4.73672 1.92898      2.62744  -2.05691     2.84429  5.86063     155.587     2.5062      335.587     
1 1 1 14 24 37 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 24 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 25 0  o 65.2724 3.93401 25.0541      3.88548  25.0541      3.88548  71.0653     180         26.6033     180         
1 1 1 14 25 1  o 16.5211 4.82906 0.926961     1.7909   1.31         2.19961  6.44402     355.087     8.10621     175.087     
1 1 1 14 25 2  o 45.5515 3.69457 10.9947      2.48486  14.3276      2.56887  39.3946     108.217     0.576621    108.217     
1 1 1 14 25 3  o 35.341  4.3222  8.26519      2.18532  7.60173      2.33678  31.6597     350.66      4.36803     350.66      
1 1 1 14 25 4  o 20.1053 4.95164 3.68926      1.99374  1.32122      1.95453  10.8947     228.072     7.97789     48.072      
1 1 1 14 25 5  o 14.3657 4.34091 0.590373     1.71093  0.318959     1.69482  2.4662      261.115     13.6548     81.1151     
1 1 1 14 25 6  o 37.5108 3.92317 7.92872      2.1292   9.58404      2.26073  32.7925     98.1295     2.18506     98.1295     
1 1 1 14 25 7  o 22.9364 4.7676  3.85574      1.8276   3.19969      1.7717   5.84633     125.427     25.8637     305.427     
1 1 1 14 25 8  o 25.371  4.54706 3.86316      1.79691  4.65973      1.77179  22.0916     30.8037     4.71924     30.8037     
1 1 1 14 25 9  o 36.204  4.28496 7.57419      2.2152   9.24917      2.3922   27.2125     139.37      7.07367     319.37      
1 1 1 14 25 10 o 13.3459 4.23557 0.145668     1.14307  -0.252922    2.42927  2.63413     178.388     11.8539     358.388     
1 1 1 14 25 11 o 50.8283 4.38758 19.8815      3.27376  13.5581      3.29124  39.3238     144.487     9.43955     324.487     
1 1 1 14 25 12 o 18.0712 5.29882 0.0171079    2.48149  2.85744      2.5413   10.67       288.666     4.84012     108.666     
1 1 1 14 25 13 o 23.6613 5.7657  5.93773      2.71675  2.12053      2.74972  17.8859     49.3974     1.40856     229.397     
1 1 1 14 25 14 o 19.1297 5.50159 1.31429      2.53419  2.91625      2.60791  7.73448     197.005     14.1897     17.0048     
1 1 1 14 25 15 o 25.2731 6.18577 4.85261      2.88853  5.26069      2.97658  9.94204     31.2707     21.5667     211.271     
1 1 1 14 25 16 o 21.1258 5.81932 4.65223      2.84884  1.27004      2.89481  14.3305     349.693     2.45668     169.693     
1 1 1 14 25 17 o 38.3114 6.23065 8.65933      3.99336  14.5912      3.45198  25.9985     102.898     12.6664     282.898     
1 1 1 14 25 18 o 19.8893 6.12487 1.57015      3.49856  3.07274      3.56231  8.47603     209.596     12.9263     29.5958     
1 1 1 14 25 19 o 22.0341 6.44436 5.03634      3.23086  1.68144      4.60696  16.0572     250.544     0.125511    250.544     
1 1 1 14 25 20 o 30.0667 6.76539 7.42558      3.557    8.84169      3.53293  26.8185     176.675     5.44972     176.675     
1 1 1 14 25 21 o 21.1005 5.85893 4.3313       2.8083   2.67215      2.833    18.2296     161.964     8.19917     161.964     
1 1 1 14 25 22 o 50.6001 4.57017 18.2307      3.47544  17.1075      3.47866  52.7226     319.061     18.8814     319.061     
1 1 1 14 25 23 o 39.3443 5.66337 14.0741      3.2569   10.1231      3.36695  38.7011     43.6902     11.4272     43.6902     
1 1 1 14 25 24 o 15.1209 4.9432  0.516351     2.6854   -0.627169    2.7535   8.34827     193.322     0.219344    13.322      
1 1 1 14 25 25 o 19.3792 5.73164 1.4866       2.91421  4.21229      2.96156  12.1944     237.336     4.18776     57.3356     
1 1 1 14 25 26 o 17.4298 5.39997 1.86703      2.75946  1.78804      2.7781   11.3804     259.542     0.822195    259.542     
1 1 1 14 25 27 o 18.3489 5.5933  2.72055      2.80199  2.29451      2.95649  6.94517     301.724     14.0753     121.724     
1 1 1 14 25 28 o 28.8997 6.23297 6.16644      3.11284  9.73576      3.15584  18.7866     275.373     9.48833     95.3734     
1 1 1 14 25 29 o 14.6705 4.84558 -0.202027    2.64851  0.195702     2.76194  5.61616     71.5781     3.52798     251.578     
1 1 1 14 25 30 o 24.9267 6.23098 7.17996      3.01778  5.22293      3.05837  18.8421     110.914     1.61428     110.914     
1 1 1 14 25 31 o 19.7909 5.86918 3.2737       2.9442   4.07511      3.0883   9.82709     86.2804     4.95727     266.28      
1 1 1 14 25 32 o 21.4775 5.97286 1.69956      3.17627  7.29         3.19603  13.2426     260.329     5.21224     260.329     
1 1 1 14 25 33 o 13.2103 4.48307 0.126324     2.60608  -2.06284     2.73019  3.08722     25.9462     3.62155     205.946     
1 1 1 14 25 34 o 16.7276 5.52792 -1.13297     3.5393   4.82559      3.71014  7.57835     334.322     8.23851     154.322     
1 1 1 14 25 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 26 0  o 21.631  6.95317 4.38427      2.50579  4.38427      2.50579  22.5313     360         11.1888     360         
1 1 1 14 26 1  f 27.2168 5.577   5.07416      2.08543  5.85069      2.89497  21.0904     305.284     0           0           
1 1 1 14 26 2  o 25.5921 5.06306 4.64218      2.10469  4.56993      2.04203  21.8431     337.524     3.21374     337.524     
1 1 1 14 26 3  o 33.1059 4.36141 6.37684      2.13577  7.99409      2.13754  27.6615     277.297     0.0561724   277.297     
1 1 1 14 26 4  o 40.1976 3.86355 10.0052      2.26153  10.307       2.39673  46.6734     347.773     26.5579     347.773     
1 1 1 14 26 5  o 14.1708 4.25996 -0.217754    1.67576  1.13388      1.64529  1.34928     252.323     17.8684     72.3225     
1 1 1 14 26 6  f 22.0482 4.88682 3.8497       1.87972  2.88487      1.83685  18.2722     237.661     0           0           
1 1 1 14 26 7  o 11.5383 3.70314 -0.151049    1.4623   -0.709215    1.39907  1.74637     293.223     7.57009     113.223     
1 1 1 14 26 8  o 20.897  4.52847 1.59029      1.82198  4.11904      1.64246  13.2464     104.248     5.5317      284.248     
1 1 1 14 26 9  o 32.1526 5.90846 7.66328      2.89632  8.02832      3.00736  28.7547     297.401     5.42081     297.401     
1 1 1 14 26 10 o 18.4894 5.40724 -0.942532    2.52732  3.97461      2.86013  9.17701     39.0472     8.18201     219.047     
1 1 1 14 26 11 o 53.0815 4.27861 17.8941      3.44338  18.8463      3.4223   46.4617     65.6743     2.25005     65.6742     
1 1 1 14 26 12 o 28.7723 5.32899 10.5246      2.87305  1.83325      2.91913  25.9201     246.096     6.79249     246.096     
1 1 1 14 26 13 o 31.5126 5.81758 5.9132       2.93     9.61745      2.93727  28.7391     41.9611     6.99863     41.9611     
1 1 1 14 26 14 o 14.5914 4.76403 -1.44474     2.49645  0.346265     2.54818  1.32748     182.016     0.0792863   182.016     
1 1 1 14 26 15 o 26.4239 6.1339  3.46006      3.09615  8.22282      3.12291  26.2536     244.766     15.1491     244.766     
1 1 1 14 26 16 o 21.0402 5.78496 4.32404      2.70574  2.47042      2.78747  16.9552     85.4785     3.79093     85.4785     
1 1 1 14 26 17 o 25.4306 6.38764 0.440687     4.85502  9.13309      3.4184   17.0787     340.906     6.69154     160.906     
1 1 1 14 26 18 o 16.4068 5.48753 0.456508     3.02581  -2.15947     4.61098  10.6839     211.264     1.5355      211.264     
1 1 1 14 26 19 o 17.6735 5.4854  -1.54947     3.04304  3.74123      3.08707  12.1526     177.005     4.65254     177.005     
1 1 1 14 26 20 o 13.3714 4.49274 -1.55558     2.48434  -0.949358    2.54185  5.46596     341.576     4.84052     161.576     
1 1 1 14 26 21 o 21.7715 5.74465 6.48989      2.88168  1.00249      2.97081  17.7191     131.795     3.78953     131.795     
1 1 1 14 26 22 o 32.1632 6.1768  6.73805      3.29572  11.8535      3.30456  29.0946     154.433     6.34815     154.433     
1 1 1 14 26 23 o 17.9159 5.47401 0.435304     2.86149  3.52419      2.85424  7.20065     113.29      12.3836     293.29      
1 1 1 14 26 24 o 16.6289 5.26667 1.65581      2.79674  1.19917      2.76626  7.88962     261.041     7.58847     81.0411     
1 1 1 14 26 25 o 18.7405 5.62486 3.21888      2.81187  2.47285      2.85286  6.73042     204.409     3.83097     204.409     
1 1 1 14 26 26 o 18.6348 5.62621 3.00226      2.85245  2.71958      2.85826  6.99225     26.1696     13.1811     206.17      
1 1 1 14 26 27 o 15.0533 4.93467 0.613061     2.70866  -0.00457956  2.74943  3.98961     189.22      3.10003     9.21997     
1 1 1 14 26 28 o 15.4543 5.02842 -0.749027    2.70446  1.86793      2.85867  3.30664     70.2269     4.22079     250.227     
1 1 1 14 26 29 o 13.6543 4.61848 -0.734922    2.70672  -1.13363     2.79588  1.81622     216.033     3.27822     36.0334     
1 1 1 14 26 30 o 16.0145 5.15604 0.872704     2.78916  2.15696      2.82359  6.69166     122.848     3.78728     302.848     
1 1 1 14 26 31 o 15.6485 5.14722 1.51384      2.99779  1.23033      3.01118  0.527956    89.5803     0.145389    89.5803     
1 1 1 14 26 32 o 16.7781 5.36112 -0.114862    2.89105  4.38633      3.16822  9.83621     45.0138     3.35464     225.014     
1 1 1 14 26 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 27 0  o 20.4168 6.78083 4.05147      2.39336  4.05147      2.39336  15.9125     180         2.12096     8.65165e-06 
1 1 1 14 27 1  o 28.6266 5.63126 4.87781      2.65559  7.77716      2.63663  28.4906     64.0256     14.078      64.0256     
1 1 1 14 27 2  o 15.3922 4.55625 0.523276     1.77044  1.48127      1.87526  6.06466     135.48      7.72944     315.48      
1 1 1 14 27 3  o 12.4627 3.97616 -1.07272     1.64726  0.391651     1.64708  1.62977     191.178     11.4108     11.178      
1 1 1 14 27 4  o 15.157  4.50736 0.676903     1.85257  1.17366      1.73659  6.61819     101.048     5.20879     281.048     
1 1 1 14 27 5  o 32.4216 5.0119  6.94288      2.29097  8.0477       2.57569  31.343      123.919     10.5751     123.919     
1 1 1 14 27 6  o 12.7469 3.92876 1.30797      1.62115  -1.69542     1.49685  3.66803     220.159     6.3071      40.1588     
1 1 1 14 27 7  o 31.9327 4.59016 6.6687       1.96974  7.38039      2.38699  29.6233     226.062     7.39899     226.062     
1 1 1 14 27 8  o 17.9473 5.20558 -1.29902     2.55131  3.93941      2.58826  11.5432     78.4837     1.47476     258.484     
1 1 1 14 27 9  o 47.5731 4.65976 16.8946      3.28013  14.3356      3.32464  43.7991     183.437     7.36304     183.437     
1 1 1 14 27 10 o 28.7276 6.08469 7.4443       2.90121  6.39411      2.92796  20.2932     4.6558      6.06591     184.656     
1 1 1 14 27 11 o 23.4346 5.74454 6.68068      2.76411  2.05553      2.82401  16.0064     182.207     5.05299     2.20712     
1 1 1 14 27 12 o 16.6588 4.97453 -2.85716     2.46034  3.72046      2.57112  11.2136     170.46      4.00455     170.46      
1 1 1 14 27 13 o 15.8583 5.04768 1.07507      2.55544  0.142452     2.64844  7.66877     243.055     2.97246     243.055     
1 1 1 14 27 14 f 31.9935 6.20578 7.09592      3.02365  10.6343      3.354    26.8137     137.761     0           0           
1 1 1 14 27 15 o 20.3736 5.83998 -2.81788     3.30924  7.2152       3.50286  15.6883     45.6155     2.7647      45.6155     
1 1 1 14 27 16 o 20.4304 6.44711 7.9994       4.96492  0.159434     3.07946  14.0419     277.776     0.977391    97.7762     
1 1 1 14 27 17 o 17.253  5.89612 3.13754      4.92509  -5.01668     4.62051  9.90714     1.32908     2.25225     181.329     
1 1 1 14 27 18 o 20.5646 6.14972 1.56252      2.95796  6.19071      3.80266  14.6811     164.383     0.380221    164.383     
1 1 1 14 27 19 o 18.3398 5.56585 2.0951       2.76951  2.85067      2.87469  9.62823     9.57374     7.28127     189.574     
1 1 1 14 27 20 o 22.6818 5.93623 2.05528      2.98988  7.38455      3.06517  13.4604     222.016     8.05761     42.016      
1 1 1 14 27 21 o 14.2936 4.75055 -0.243869    2.67079  -0.461191    2.67121  5.34723     101.081     7.46836     281.081     
1 1 1 14 27 22 o 20.8697 5.83397 5.46153      2.86407  2.45538      2.92951  14.552      180.114     0.515929    180.114     
1 1 1 14 27 23 o 23.629  5.69173 8.53472      2.96552  1.2712       2.99417  16.8671     18.2072     0.289825    198.207     
1 1 1 14 27 24 o 18.7008 5.92266 -1.52662     3.75389  5.80165      3.79444  4.78041     52.5748     0.832831    52.5748     
1 1 1 14 27 25 o 16.6363 5.25413 2.97012      2.79902  -0.252929    2.89429  3.75621     335.264     1.19119     155.264     
1 1 1 14 27 26 o 15.9925 5.16066 2.00288      2.8132   0.266617     2.88875  4.68591     257.638     1.65772     77.6379     
1 1 1 14 27 27 o 16.3656 5.23262 2.77223      2.84497  0.755661     2.86272  5.86768     56.2345     9.26766     236.234     
1 1 1 14 27 28 o 15.8112 4.91754 4.77382      2.74065  -4.85303     2.80858  7.94225     222.222     2.05167     42.2219     
1 1 1 14 27 29 o 14.6805 4.88456 0.672008     2.79347  0.483616     2.88382  6.86554     234.196     5.10007     54.1956     
1 1 1 14 27 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 28 0  o 22.1989 6.46106 4.47791      2.18527  4.47791      2.18527  22.1505     180         7.04859     180         
1 1 1 14 28 1  o 18.5818 5.23524 0.791044     2.45885  3.65481      2.32076  11.993      277.922     2.91069     97.9219     
1 1 1 14 28 2  f 17.0861 4.8319  0.169167     1.82821  3.34107      2.2047   16.2055     12.0644     0           0           
1 1 1 14 28 3  o 11.9724 3.88623 -1.29842     1.66999  0.201873     1.64936  0.874718    13.6976     18.5788     13.6976     
1 1 1 14 28 4  o 13.2197 4.15107 -0.0133249   1.72252  0.437103     1.66504  5.67452     307.441     2.67945     127.441     
1 1 1 14 28 5  o 17.2554 4.38821 3.63595      1.76741  -0.223909    1.66517  8.26413     219.555     9.13082     39.5551     
1 1 1 14 28 6  o 13.6    4.32031 -0.496378    1.51083  1.09516      2.19111  3.27644     125.572     0.373673    125.572     
1 1 1 14 28 7  o 15.3443 4.91274 0.221644     2.45398  0.751139     2.53673  5.02889     121.165     1.59257     121.165     
1 1 1 14 28 8  o 19.4641 5.66419 3.42944      2.79339  2.4782       2.68592  13.6827     292.964     0.388046    292.964     
1 1 1 14 28 9  o 15.5443 4.94516 1.62711      2.50411  -0.554568    2.55839  7.11334     283.827     1.42993     283.827     
1 1 1 14 28 10 o 18.0002 5.54772 2.32613      3.06978  1.92268      2.70669  10.8278     170.861     2.72298     350.861     
1 1 1 14 28 11 o 16.0496 5.0841  -1.91804     2.99142  2.46623      2.60942  8.14075     271.293     1.49858     271.293     
1 1 1 14 28 12 o 18.763  5.58865 3.36657      2.78301  1.90231      2.77132  12.822      226.162     1.18733     226.162     
1 1 1 14 28 13 o 14.2947 4.79176 -2.84964     2.82395  0.710718     2.90741  6.13128     346.341     2.44672     166.341     
1 1 1 14 28 14 o 20.6739 6.19566 2.31785      3.45173  5.6823       3.5477   12.8867     254.404     4.29482     74.4036     
1 1 1 14 28 15 o 19.7553 6.49193 7.37497      6.03131  1.67323      3.24996  13.2885     315.52      0.397822    315.52      
1 1 1 14 28 16 o 19.3052 5.95299 3.71943      3.84378  2.88585      2.85858  7.31666     335.076     4.1697      335.076     
1 1 1 14 28 17 o 14.6949 4.99038 -1.75518     2.58276  0.697356     3.72105  4.30702     331.018     0.542072    151.018     
1 1 1 14 28 18 o 16.1831 5.18674 -0.526373    2.7764   2.54863      2.90723  6.84029     14.5035     2.92114     194.503     
1 1 1 14 28 19 f 17.4657 5.4258  0.715232     2.86364  3.23353      2.87649  7.44977     6.08202     0           0           
1 1 1 14 28 20 f 17.7142 5.54904 2.75843      3.02497  1.68293      2.9924   8.895       28.0645     0           0           
1 1 1 14 28 21 o 13.6862 4.61792 -1.25551     2.66705  -0.531468    2.75601  1.00277     109.126     2.75493     289.126     
1 1 1 14 28 22 o 18.9722 5.82955 3.05982      2.92427  3.67471      3.42108  8.617       115.509     6.85535     295.51      
1 1 1 14 28 23 f 16.8248 5.36196 3.38398      2.86525  -0.0598503   3.34415  6.38862     33.749      0           0           
1 1 1 14 28 24 o 20.0322 5.98445 5.93534      3.13024  3.24216      3.52133  11.9169     93.411      3.57657     273.411     
1 1 1 14 28 25 o 21.1801 6.08186 5.1639       3.07167  5.65387      3.13061  15.1861     107.059     0.685056    107.059     
1 1 1 14 28 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 28 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 29 0  o 31.6595 5.92579 7.55762      2.49593  7.55762      2.49593  32.7849     180         12.2277     180         
1 1 1 14 29 1  o 15.5057 4.91967 -0.453769    3.37708  1.37328      1.88873  6.75117     275.46      1.11643     275.46      
1 1 1 14 29 2  o 27.4524 5.38568 6.97217      2.24652  5.39962      2.59323  25.5779     69.0264     9.68072     69.0264     
1 1 1 14 29 3  o 27.9759 5.37997 6.80208      2.18504  5.99409      2.65992  25.8884     299.129     9.15862     299.129     
1 1 1 14 29 4  o 16.243  4.61251 2.30179      1.84269  1.13775      1.71202  9.31907     15.8147     1.22477     195.815     
1 1 1 14 29 5  o 33.613  5.04092 6.66389      2.1763   10.941       2.90908  32.936      205.893     12.8031     205.893     
1 1 1 14 29 6  o 18.5343 5.42842 0.740466     2.65913  4.25913      2.68108  11.6784     161.334     4.82053     161.334     
1 1 1 14 29 7  o 15.8411 5.02799 -0.672248    2.59283  2.34147      2.64609  8.28611     173.925     2.07475     353.925     
1 1 1 14 29 8  o 16.9448 5.45757 0.365943     3.8376   2.01873      2.71024  5.20323     29.0794     13.9861     209.079     
1 1 1 14 29 9  o 16.6899 5.20235 0.313248     2.6556   2.66057      2.66346  7.87069     328.407     6.35792     148.407     
1 1 1 14 29 10 o 19.7704 5.70552 4.66033      2.80261  2.03848      2.87715  11.366      222.193     4.78247     42.1925     
1 1 1 14 29 11 o 16.5291 5.33028 2.33438      3.02653  -0.0277156   3.06676  7.38093     219.8       1.51208     39.7997     
1 1 1 14 29 12 o 16.7669 5.38946 2.43834      3.08486  0.337014     3.04962  7.08801     185.942     2.59601     5.94186     
1 1 1 14 29 13 o 15.0876 5.02216 -1.1004      2.97008  0.894019     3.06214  1.39945     169.904     0.66948     349.904     
1 1 1 14 29 14 o 23.7197 6.38624 5.28986      3.16442  6.57159      3.31107  16.3034     85.0311     5.58061     85.0311     
1 1 1 14 29 15 o 15.4078 4.97513 2.09657      2.6708   -1.26695     2.77699  2.79347     62.0336     3.72489     242.034     
1 1 1 14 29 16 o 23.169  6.26194 2.98634      4.19737  7.7294       3.13851  2.37449     33.0019     1.3397      33.0019     
1 1 1 14 29 17 o 22.8769 6.77599 4.87828      4.04188  8.4135       4.13896  13.6459     179.194     5.51164     179.194     
1 1 1 14 29 18 o 16.9986 5.43136 0.826846     3.33528  2.97773      2.90852  6.4379      124.725     0.661369    304.725     
1 1 1 14 29 19 o 14.8768 4.9433  0.230515     2.88078  0.884083     2.90067  4.59297     5.29919     7.33529     185.299     
1 1 1 14 29 20 o 19.2268 5.82333 5.21609      3.15647  3.01325      3.0633   10.6445     144.973     4.93946     324.973     
1 1 1 14 29 21 o 17.5679 5.46115 0.729297     2.9869   4.70743      2.98204  10.9901     346.031     0.884584    346.031     
1 1 1 14 29 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 29 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 30 0  o 8.70241 4.22693 -0.689954    1.83846  -0.689954    1.83846  2.12227     180         7.06241     180         
1 1 1 14 30 1  o 17.6029 4.91843 3.22228      2.09774  1.37323      1.91804  5.36034     219.854     0.244886    39.8544     
1 1 1 14 30 2  o 21.1564 5.06463 6.61578      2.46603  0.520302     2.13115  10.4631     344.344     4.00305     344.344     
1 1 1 14 30 3  o 29.5627 4.80677 7.88574      2.19288  5.50165      2.12682  26.3178     230.014     10.7636     230.014     
1 1 1 14 30 4  o 17.9637 5.26081 1.53599      2.03376  3.64092      2.70638  6.98485     59.6091     3.83313     239.609     
1 1 1 14 30 5  o 12.1386 4.16536 -1.67598     2.42024  -2.36126     2.45736  0.232711    96.9692     5.60088     96.9691     
1 1 1 14 30 6  o 20.7681 5.32655 -1.58736     2.77561  7.42526      2.84524  8.94583     34.1802     2.63986     34.1802     
1 1 1 14 30 7  o 23.8482 5.69936 8.72714      2.97286  1.57708      2.94097  16.5788     86.3464     4.74604     86.3464     
1 1 1 14 30 8  o 16.8271 5.26454 3.19526      2.79265  0.0225736    2.76007  3.52113     36.3245     0.870125    216.325     
1 1 1 14 30 9  o 16.6456 5.39374 1.30571      3.13     1.67799      3.12036  5.19867     292.848     2.78968     112.848     
1 1 1 14 30 10 o 17.6312 5.6244  1.65726      3.22937  3.01316      3.26356  1.83767     282.098     0.2325      282.098     
1 1 1 14 30 11 o 38.2919 6.76654 13.6419      4.00428  16.1025      3.99494  36.5984     10.5078     14.7232     10.5078     
1 1 1 14 30 12 o 17.8559 5.51058 3.87645      2.91382  1.72915      2.88685  8.69902     133.264     0.821492    313.264     
1 1 1 14 30 13 o 17.1163 5.43728 1.39646      2.89492  3.54522      3.1065   6.3981      307.12      9.43252     127.12      
1 1 1 14 30 14 o 17.8416 5.60504 1.74594      3.11008  4.40448      3.15616  9.15189     85.807      4.34983     265.807     
1 1 1 14 30 15 o 17.5588 5.70137 4.59539      4.03719  1.96049      2.92682  9.73333     251.448     2.00334     251.448     
1 1 1 14 30 16 o 16.6286 5.62932 1.54778      4.14364  2.35906      4.07158  9.07433     46.7101     2.44902     226.71      
1 1 1 14 30 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 30 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 31 0  f 14.2062 6.22829 2.4344       2.71572  2.4344       2.71572  9.19076     180         0           0           
1 1 1 14 31 1  o 16.4499 5.17926 0.103384     2.61792  3.82821      2.82677  6.75484     323.77      7.46802     143.77      
1 1 1 14 31 2  o 15.0239 5.06989 -1.31291     2.39563  3.40105      3.75395  5.20387     44.9214     7.38945     224.921     
1 1 1 14 31 3  o 14.2169 4.63159 0.315541     1.95361  1.29087      2.69111  2.19319     293.757     0.0866906   113.757     
1 1 1 14 31 4  o 12.0785 4.16516 -3.09088     2.34012  -0.351014    2.62549  2.40777     346.576     4.13165     166.576     
1 1 1 14 31 5  o 17.1925 5.35408 1.14746      2.77905  4.00595      2.854    8.6682      277.102     2.56092     277.102     
1 1 1 14 31 6  o 16.055  5.16755 1.3475       2.77853  2.3314       2.84114  5.70045     261.366     1.73622     261.366     
1 1 1 14 31 7  o 27.674  6.37366 4.85163      3.70338  13.5764      3.68947  24.314      5.57528     8.05536     5.57528     
1 1 1 14 31 8  o 18.8716 5.89879 2.95288      3.35149  5.1798       3.44683  11.8117     151.344     5.71829     151.344     
1 1 1 14 31 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 31 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 31 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 14 31 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 0  1  o 53.178  3.19264 15.7505      2.56936  15.7505      2.56936  3.42434     89.9997     0.406357    89.9997     
1 1 1 15 0  2  o 103.455 2.32638 58.4972      3.69765  58.4972      3.69765  116.991     180         20.7422     180         
1 1 1 15 0  3  o 158.97  2.11189 137.831      5.16573  137.831      5.16573  243.965     90          159.907     90          
1 1 1 15 0  4  o 246.855 2.00839 332.112      7.63222  332.112      7.63222  240.207     180         28.9017     360         
1 1 1 15 0  5  o 78.5762 2.57696 33.8672      3.10276  33.8672      3.10276  94.3933     90          41.3065     90          
1 1 1 15 0  6  o 105.737 2.29508 61.0941      3.72894  61.0941      3.72894  152.167     180         89.7546     180         
1 1 1 15 0  7  o 45.5566 3.63822 11.7487      2.46855  11.7487      2.46855  8.20682     270         7.39132     90          
1 1 1 15 0  8  o 35.7289 4.62694 7.63085      2.2935   7.63085      2.2935   1.37195     180         27.6125     180         
1 1 1 15 0  9  o 76.0091 2.63014 31.7174      3.06158  31.7174      3.06158  84.4607     90          52.4796     90          
1 1 1 15 0  10 o 174.085 2.07387 165.262      5.5559   165.262      5.5559   226.95      3.3536e-06  95.6178     3.3536e-06  
1 1 1 15 0  11 o 97.7708 2.36429 52.2787      3.55014  52.2787      3.55014  121.976     270         43.3019     270         
1 1 1 15 0  12 o 108.285 2.30868 64.076       3.84172  64.076       3.84172  91.1354     8.64412e-07 40.2984     180         
1 1 1 15 0  13 o 59.8076 3.03478 19.8072      2.76122  19.8072      2.76122  54.1493     90          9.85059     270         
1 1 1 15 0  14 o 97.5035 2.43412 52.0128      3.64435  52.0128      3.64435  138.2       0           76.7424     0           
1 1 1 15 0  15 o 9.08897 4.43135 -1.57139     2.0659   -1.57139     2.0659   12.574      270         26.5652     270         
1 1 1 15 0  16 o 194.923 2.62467 207.376      7.87176  207.376      7.87176  274.328     180         149.337     180         
1 1 1 15 0  17 o 103.391 2.51881 58.484       3.99943  58.484       3.99943  112.101     90          12.6035     90          
1 1 1 15 0  18 o 52.4589 3.78071 15.4896      2.97538  15.4896      2.97538  30.7117     3.16672e-06 43.9899     180         
1 1 1 15 0  19 o 30.9515 6.04673 6.30794      2.49226  6.30794      2.49226  2.18819     90          13.1339     270         
1 1 1 15 0  20 o 41.2589 4.18503 9.85973      2.50043  9.85973      2.50043  4.82333     180         71.914      8.65169e-06 
1 1 1 15 0  21 o 122.582 2.56832 82.1706      4.8384   82.1706      4.8384   125.897     90          2.04523     90          
1 1 1 15 0  22 o 152.297 2.44226 126.701      5.72094  126.701      5.72094  137.367     180         35.1602     8.65145e-06 
1 1 1 15 0  23 o 86.2932 2.83126 40.9118      3.74372  40.9118      3.74372  88.8402     270         2.32513     270         
1 1 1 15 0  24 o 31.1618 5.36167 6.17988      2.22917  6.17988      2.22917  16.4834     2.74675e-10 16.5119     180         
1 1 1 15 0  25 o 69.7862 3.12087 26.9406      3.32265  26.9406      3.32265  79.1335     270         16.8942     270         
1 1 1 15 0  26 o 51.5695 3.68911 15.0099      2.85533  15.0099      2.85533  22.6137     2.81127e-06 59.0714     180         
1 1 1 15 0  27 o 113.266 2.80055 70.4067      4.87109  70.4067      4.87109  117.014     270         5.22221     270         
1 1 1 15 0  28 o 52.598  4.44983 15.8708      3.4679   15.8708      3.4679   49.2877     1.99049e-06 7.38136     180         
1 1 1 15 0  29 o 118.64  2.64682 77.2459      4.82465  77.2459      4.82465  159.327     270         79.7859     270         
1 1 1 15 0  30 o 61.5542 3.52303 21.2373      3.28743  21.2373      3.28743  66.0855     180         8.45596     180         
1 1 1 15 0  31 o 8.39083 4.09404 -1.31616     1.77134  -1.31616     1.77134  12.7577     270         31.1263     270         
1 1 1 15 0  32 o 54.5822 3.1695  16.7194      2.62125  16.7194      2.62125  50.6208     180         8.05901     8.65143e-06 
1 1 1 15 0  33 o 68.6186 3.02215 26.2138      3.16464  26.2138      3.16464  79.0369     90          20.93       90          
1 1 1 15 0  34 o 36.3403 4.56161 8.001        2.31288  8.001        2.31288  41.5258     180         10.7048     180         
1 1 1 15 0  35 o 10.739  4.88376 0.130024     1.85083  0.130024     1.85083  1.13579     270         5.42651     270         
1 1 1 15 0  36 o 41.2568 4.04102 10.0071      2.4269   10.0071      2.4269   15.3381     1.62226e-06 51.2769     180         
1 1 1 15 0  37 o 14.204  5.69472 1.58014      1.92464  1.58014      1.92464  3.21161     270         13.7713     90          
1 1 1 15 0  38 o 15.1071 5.84652 1.89907      1.9447   1.89907      1.9447   8.12365     360         2.43847     180         
1 1 1 15 0  39 o 9.52082 4.51153 -0.545249    1.84664  -0.545249    1.84664  3.75504     90          21.1912     90          
1 1 1 15 0  40 o 12.2242 5.31237 0.843468     1.93458  0.843468     1.93458  1.80462     2.51957e-10 13.0845     180         
1 1 1 15 0  41 o 16.0921 6.01644 2.2802       1.99448  2.2802       1.99448  4.33132     270         0.316288    270         
1 1 1 15 0  42 o 58.1008 2.99821 19.1281      2.64893  19.1281      2.64893  62.8268     180         11.8311     180         
1 1 1 15 0  43 o 34.9309 4.6798  7.68463      2.25423  7.68463      2.25423  30.0016     270         8.25533     90          
1 1 1 15 0  44 o 45.0021 4.11072 12.1866      2.718    12.1866      2.718    45.228      180         2.74286     180         
1 1 1 15 0  45 o 46.9069 3.6291  13.0206      2.54164  13.0206      2.54164  33.8597     90          23.4655     270         
1 1 1 15 0  46 o 21.5593 6.83035 4.28212      2.41659  4.28212      2.41659  14.6291     180         12.4751     8.65568e-06 
1 1 1 15 0  47 o 10.3884 4.969   -0.551081    2.34131  -0.551081    2.34131  2.03206     270         7.07235     90          
1 1 1 15 0  48 f 10.2571 4.81544 -0.0718669   2.0209   -0.0718669   2.0209   5.92959     180         0           0           
1 1 1 15 0  49 o 25.0319 6.55346 5.32403      2.34271  5.32403      2.34271  21.0867     270         5.93899     90          
1 1 1 15 0  50 o 14.0807 6.2065  1.75737      2.7333   1.75737      2.7333   10.8364     180         3.09019     180         
1 1 1 15 0  51 o 20.9993 7.36742 4.86787      2.87504  4.86787      2.87504  25.059      90          13.9312     90          
1 1 1 15 0  52 o 21.2285 7.09437 4.78344      2.62323  4.78344      2.62323  23.0165     1.43422e-06 6.44329     1.43422e-06 
1 1 1 15 0  53 o 11.0365 5.19599 0.272302     2.38095  0.272302     2.38095  2.75797     270         3.90139     90          
1 1 1 15 0  54 o 13.5377 5.86683 1.81773      2.34447  1.81773      2.34447  4.23315     180         6.51923     360         
1 1 1 15 0  55 o 10.9343 5.11066 0.486294     2.23563  0.486294     2.23563  0.837452    270         2.63097     90          
1 1 1 15 0  56 o 13.7593 5.89247 2.18879      2.30444  2.18879      2.30444  2.64436     180         0.925295    180         
1 1 1 15 0  57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 1  0  o 178.629 2.07043 173.978      5.69166  173.978      5.69166  215.208     270         61.7744     270         
1 1 1 15 1  1  o 111.781 2.27793 69.5562      3.91258  66.8488      3.91995  137.937     241.062     65.7558     241.062     
1 1 1 15 1  2  o 124.553 2.21568 82.3779      4.25409  86.8942      4.23874  110.017     260.377     26.422      80.3774     
1 1 1 15 1  3  o 141.414 2.14983 114.347      4.67486  103.853      4.67977  141.291     263.113     1.05796     263.113     
1 1 1 15 1  4  o 140.593 2.14863 104.726      4.63645  110.871      4.66495  155.289     247.764     32.2753     247.764     
1 1 1 15 1  5  f 18.1389 5.04695 0.352911     2.06402  1.58155      2.12082  39.7784     353.689     0           0           
1 1 1 15 1  6  o 93.6481 2.40031 46.5564      3.4558   49.2648      3.45342  78.8879     107.852     20.4438     287.852     
1 1 1 15 1  7  o 112.916 2.37072 65.7759      4.24358  73.5493      3.96083  58.066      134.219     107.895     314.219     
1 1 1 15 1  8  o 111.944 2.27405 70.9106      3.91458  65.9418      3.91345  130.831     219.034     48.1675     219.034     
1 1 1 15 1  9  o 169.823 2.09438 154.189      5.46828  160.357      5.48438  165.651     88.6555     10.9197     268.655     
1 1 1 15 1  10 o 122.282 2.22464 78.9012      4.1856   84.308       4.18505  141.588     318.142     44.5652     318.142     
1 1 1 15 1  11 o 110.23  2.30855 59.8494      3.88435  73.1656      3.91742  107.051     130.95      1.68922     310.949     
1 1 1 15 1  12 o 47.2188 3.42485 12.0283      2.455    12.6128      2.4537   22.1249     99.0772     25.6558     279.077     
1 1 1 15 1  13 o 206.349 2.21088 233.738      7.52846  230.787      6.4896   183.485     101.819     52.5514     281.819     
1 1 1 15 1  14 o 168.825 2.25365 152.467      6.21     158.536      5.46777  161.016     348.883     19.3623     168.883     
1 1 1 15 1  15 o 196.322 2.13126 200.977      6.61435  219.685      6.24007  173.908     32.9478     50.8496     212.948     
1 1 1 15 1  16 o 98.379  2.40467 52.7897      3.63147  52.9728      3.64339  110.359     268.773     30.1019     268.773     
1 1 1 15 1  17 o 115.362 2.27844 72.8613      4.04151  72.483       4.04557  116.49      260.165     4.60852     260.165     
1 1 1 15 1  18 f 141.154 2.2616  103.841      4.71643  113.724      5.11769  174.811     268.776     0           0           
1 1 1 15 1  19 o 53.8572 3.27619 18.1858      2.68538  13.9348      2.65864  17.956      78.9411     62.9998     258.941     
1 1 1 15 1  20 o 192.271 2.14162 202.574      6.54537  200.913      6.13108  205.426     178.721     22.9501     178.721     
1 1 1 15 1  21 o 76.1825 2.9952  29.2346      3.49237  34.577       3.48737  89.8926     199.302     38.5149     199.302     
1 1 1 15 1  22 o 43.1457 4.65829 8.50835      2.79568  12.6889      3.17227  32.8805     64.9993     10.5739     64.9993     
1 1 1 15 1  23 o 90.4929 3.02638 45.5285      3.83225  44.3958      4.53719  84.3652     112.144     9.87634     292.144     
1 1 1 15 1  24 o 62.9807 3.12801 20.0381      2.84667  23.7654      3.18488  65.4963     165.754     12.9904     165.754     
1 1 1 15 1  25 o 41.6032 4.34486 8.72292      2.678    10.8805      2.69558  33.7411     60.7796     1.20607     60.7796     
1 1 1 15 1  26 o 126.625 2.67427 88.7014      5.5062   87.2768      4.89744  102.31      43.0843     48.1883     223.084     
1 1 1 15 1  27 o 158.11  2.47942 131.929      6.03522  142.252      6.03149  164.283     154.89      12.2474     154.89      
1 1 1 15 1  28 o 112.312 2.46865 71.4017      4.26233  67.1684      4.26315  132.687     164.063     43.3902     164.063     
1 1 1 15 1  29 o 88.9582 2.53279 42.7471      3.58412  44.3689      3.32998  91.632      359.235     8.2725      359.235     
1 1 1 15 1  30 o 74.7173 2.93197 29.8994      3.47234  31.9622      3.23153  78.1359     177.674     10.3115     177.674     
1 1 1 15 1  31 o 14.9031 4.75276 0.100694     2.49624  -2.6316      2.21108  1.80705     126.866     15.7641     126.866     
1 1 1 15 1  32 o 47.7822 3.53732 13.7572      2.61251  12.0724      2.51222  35.6063     15.0209     21.3002     195.021     
1 1 1 15 1  33 o 61.4789 3.02661 22.7837      2.6474   19.5432      2.99123  61.0324     1.34539     2.07006     1.34538     
1 1 1 15 1  34 o 74.1668 2.7493  29.0342      3.10719  32.2967      3.1456   81.1564     143.966     16.884      143.966     
1 1 1 15 1  35 o 22.6104 5.1919  3.08136      2.02556  2.87728      2.11527  10.6944     296.552     16.8435     116.552     
1 1 1 15 1  36 o 32.7077 4.68252 6.52646      2.4551   6.32377      2.09619  27.0791     38.5864     5.8995      218.586     
1 1 1 15 1  37 o 39.2545 3.9647  9.32415      2.20845  8.67542      2.42789  27.2404     251.012     20.5166     71.0121     
1 1 1 15 1  38 o 42.1564 3.80546 11.0248      2.46783  9.70851      2.35786  43.3299     5.28591     6.14699     5.28591     
1 1 1 15 1  39 o 23.6636 5.08913 4.27759      2.03611  2.6024       2.09026  15.3502     146.88      11.9695     326.88      
1 1 1 15 1  40 o 22.7944 5.15236 3.1318       2.02638  3.33543      2.05923  19.2929     235.949     0.744385    235.949     
1 1 1 15 1  41 o 20.9812 5.13457 2.55741      2.03192  2.76331      2.01058  4.80362     335.737     27.4697     155.737     
1 1 1 15 1  42 o 16.5009 4.74849 2.04161      2.03459  -0.53607     1.95065  6.50884     343.433     10.8987     163.433     
1 1 1 15 1  43 o 17.7929 5.05755 1.37442      2.10083  1.47466      2.13873  10.3379     333.34      3.18858     153.34      
1 1 1 15 1  44 o 18.7568 5.18429 2.39883      2.18455  1.36881      2.19196  12.1234     292.964     3.74097     292.964     
1 1 1 15 1  45 o 39.3657 4.31392 11.3686      2.48638  8.43001      2.51502  43.3782     206.531     13.3152     206.531     
1 1 1 15 1  46 o 23.7603 5.57989 4.38835      2.41094  3.85117      2.36215  24.4753     155.923     8.85115     155.923     
1 1 1 15 1  47 o 21.1826 5.61002 1.62341      2.56193  4.5048       2.59703  13.1621     356.138     10.5297     176.138     
1 1 1 15 1  48 o 17.7743 5.07685 2.52598      2.10934  0.971488     2.3014   13.0585     346.502     0.421878    346.502     
1 1 1 15 1  49 o 22.5879 5.87638 4.29563      2.54153  4.01492      2.86479  19.324      45.287      0.34881     225.287     
1 1 1 15 1  50 o 19.4028 5.44533 3.52396      2.46804  2.02602      2.44711  16.5389     136.799     0.875206    136.799     
1 1 1 15 1  51 o 16.0149 5.01881 1.10929      2.35559  1.02244      2.56176  8.81221     208.075     4.00835     208.075     
1 1 1 15 1  52 o 13.3188 4.45735 -1.81584     2.48056  -0.159403    2.41317  6.17898     244.006     6.61262     64.0055     
1 1 1 15 1  53 f 16.7866 5.1001  1.18378      2.24579  2.48099      2.50557  6.13458     203.191     0           0           
1 1 1 15 1  54 f 19.9113 5.6207  3.28119      2.7404   3.7638       2.49522  13.7039     267.057     0           0           
1 1 1 15 1  55 o 13.3346 4.44116 -0.33059     2.48704  -0.334574    2.22275  2.04997     19.6117     0.755916    199.612     
1 1 1 15 1  56 o 27.8442 5.53946 5.65716      2.66899  9.10751      2.55056  28.0923     109.288     7.73716     109.288     
1 1 1 15 1  57 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 2  0  f 81.6966 2.55013 36.5871      3.19389  36.5871      3.19389  19.9466     89.9999     0           0           
1 1 1 15 2  1  o 201.402 2.04747 217.804      6.32857  224.495      6.37082  181.735     66.5484     45.6308     246.548     
1 1 1 15 2  2  o 36.0714 4.46305 6.15931      2.28942  8.60542      2.47801  1.17412     185.733     20.7088     185.733     
1 1 1 15 2  3  o 130.399 2.18159 87.99        4.36839  97.5721      4.38495  114.245     346.808     30.4282     166.808     
1 1 1 15 2  4  o 85.0182 2.50097 38.5741      3.27848  40.4392      3.25362  52.0054     254.869     57.8221     74.8688     
1 1 1 15 2  5  o 54.3203 3.14422 15.8823      2.59502  16.57        2.61859  4.866       248.246     84.6449     68.2458     
1 1 1 15 2  6  o 233.64  2.02263 304.386      7.28236  290.898      7.26916  233.806     176.376     7.84607     356.376     
1 1 1 15 2  7  o 159.001 2.10605 134.522      5.15116  141.218      5.15981  197.1       160.258     78.5592     160.258     
1 1 1 15 2  8  o 135.531 2.19292 91.3677      4.55022  109.386      4.57778  170.397     300.345     76.2069     300.345     
1 1 1 15 2  9  o 253.948 2.1742  347.294      9.0681   356.127      7.87847  277.229     355.052     37.2574     355.052     
1 1 1 15 2  10 o 73.8143 2.83201 31.426       3.42889  28.2899      2.98631  50.0726     203.108     37.1557     23.1075     
1 1 1 15 2  11 o 87.5243 2.55491 39.8683      3.51214  43.9385      3.34306  99.0331     263.843     37.6832     263.843     
1 1 1 15 2  12 o 37.5203 4.24924 6.61399      2.35471  9.30866      2.34129  6.12571     167.595     69.6328     167.595     
1 1 1 15 2  13 o 103.523 2.34066 64.1946      3.72461  53.131       3.70491  102.584     324.548     2.48768     324.548     
1 1 1 15 2  14 o 234.482 2.02619 305.49       7.32895  294.231      7.30178  249.74      139.822     22.4985     139.822     
1 1 1 15 2  15 o 147.203 2.15085 120.187      4.86772  116.222      4.88193  153.326     69.4359     11.1193     69.4358     
1 1 1 15 2  16 o 155.821 2.13121 131.384      5.1082   133.496      5.11917  150.377     154.707     12.9494     334.707     
1 1 1 15 2  17 o 45.0048 3.73666 9.67858      2.49641  12.928       2.54023  15.4335     62.9864     113.687     62.9864     
1 1 1 15 2  18 o 74.2706 2.79338 27.5847      3.0759   32.9831      3.28655  89.5437     245.718     56.7552     245.718     
1 1 1 15 2  19 o 72.611  2.93522 26.7012      3.05794  31.2254      3.48306  59.8681     275.183     17.0932     95.1827     
1 1 1 15 2  20 o 126.978 2.37624 89.3295      4.66631  86.881       4.61802  116.363     151.86      20.5647     331.86      
1 1 1 15 2  21 o 94.8749 2.78402 51.8431      4.0833   46.8253      4.02827  73.4857     53.8978     40.3042     233.898     
1 1 1 15 2  22 o 103.699 2.69538 57.1085      4.26338  60.7023      4.32894  97.0738     96.6879     11.44       276.688     
1 1 1 15 2  23 o 17.448  5.07291 -0.314683    2.22194  1.22116      2.23122  4.49529     261.469     16.0006     261.469     
1 1 1 15 2  24 o 99.1643 2.3965  57.1359      3.63115  50.6424      3.66471  114.931     97.1121     35.0249     97.1121     
1 1 1 15 2  25 o 26.7994 5.78668 5.09832      2.4309   2.6365       3.0117   5.00925     284.18      14.1243     104.18      
1 1 1 15 2  26 o 67.9947 3.73061 23.5991      3.71424  27.8329      4.03658  27.9929     238.041     76.5323     58.0413     
1 1 1 15 2  27 o 36.3959 5.1517  6.22986      2.67335  9.24337      2.90639  25.711      54.1969     1.84        234.197     
1 1 1 15 2  28 o 37.5126 4.11315 7.33683      2.20543  8.69104      2.39261  14.988      347.02      37.5876     167.02      
1 1 1 15 2  29 o 19.134  4.93589 2.02143      1.89232  1.39652      1.90331  0.269622    249.594     11.6301     69.5938     
1 1 1 15 2  30 o 27.6811 4.94716 4.46437      2.10758  4.55624      2.11138  17.9798     85.8664     1.73998     85.8664     
1 1 1 15 2  31 o 23.1281 5.59703 2.21677      2.41731  3.54812      2.43089  11.37       263.881     0.0165336   263.881     
1 1 1 15 2  32 o 51.6906 3.39419 15.5574      2.63525  14.5355      2.70035  55.4976     243.758     11.6305     243.758     
1 1 1 15 2  33 o 57.7014 3.07512 21.0707      2.55137  16.3683      2.7942   79.5681     74.4759     49.5788     74.4759     
1 1 1 15 2  34 o 37.6748 4.14204 10.6746      2.32918  6.1251       2.22008  33.1694     294.317     4.13108     114.317     
1 1 1 15 2  35 o 26.988  5.60765 4.04969      2.60459  4.84868      2.39263  16.5005     57.0805     14.8093     237.081     
1 1 1 15 2  36 o 34.424  4.56824 6.8913       2.38134  7.26093      2.28126  30.2272     355.52      3.10733     175.52      
1 1 1 15 2  37 o 50.4079 3.28404 16.5588      2.57139  12.518       2.44328  52.7829     132.738     8.55208     132.738     
1 1 1 15 2  38 o 27.0451 4.97378 5.76168      2.10101  3.28644      2.19038  30.1391     217.589     20.6106     217.589     
1 1 1 15 2  39 o 37.3497 3.95832 8.31692      2.23388  8.22025      2.17909  31.7389     355.755     7.67557     175.755     
1 1 1 15 2  40 o 27.722  4.88005 3.75127      2.0752   5.99058      2.13362  26.7438     231.059     4.51962     231.059     
1 1 1 15 2  41 o 16.4147 4.68372 1.9465       1.9202   -0.327045    1.90715  6.39221     326.355     11.3039     146.355     
1 1 1 15 2  42 o 14.636  4.48172 0.951449     1.90429  -1.07421     1.94114  4.58009     303.271     5.49247     123.271     
1 1 1 15 2  43 o 24.0164 5.24698 4.94352      2.19928  2.57954      2.23078  22.5144     259.979     11.5563     259.979     
1 1 1 15 2  44 f 20.8487 4.88148 -0.914986    2.26446  5.20347      2.2507   8.22207     255.818     0           0           
1 1 1 15 2  45 o 20.801  5.31884 2.42255      2.18944  3.29041      2.20972  11.2962     171.933     13.6491     351.933     
1 1 1 15 2  46 o 26.3015 5.57782 2.99642      2.37488  7.32457      2.75553  22.1295     348.04      3.25746     168.04      
1 1 1 15 2  47 o 20.1957 5.5395  3.91572      2.48298  1.12998      2.726    18.0982     186.488     6.30661     186.488     
1 1 1 15 2  48 o 35.6937 5.58126 8.43837      2.67882  10.5728      3.29793  39.9316     3.49576     15.0213     3.49576     
1 1 1 15 2  49 o 14.7212 4.71361 -1.01276     2.34889  0.960213     2.3245   9.68928     358.616     1.87973     178.616     
1 1 1 15 2  50 o 18.7487 5.17967 1.89915      2.16421  3.12755      2.20936  17.3304     326.912     5.34639     326.912     
1 1 1 15 2  51 o 18.245  5.21152 3.32612      2.32133  1.32746      2.32562  14.6612     342.601     0.575387    342.601     
1 1 1 15 2  52 o 12.4447 4.26372 -3.3845      2.36196  -0.710653    2.63914  5.5857      20.2066     3.15727     200.207     
1 1 1 15 2  53 o 17.1226 5.07032 -0.845964    2.45102  3.94417      2.49225  11.5145     80.889      1.85861     260.889     
1 1 1 15 2  54 o 14.7493 4.70714 0.820836     2.23916  0.505095     2.30343  1.05967     58.3267     0.352696    238.327     
1 1 1 15 2  55 o 14.2008 4.62447 1.20736      2.37773  -0.451247    2.33114  3.82795     98.8991     0.333974    278.899     
1 1 1 15 2  56 o 21.1195 5.70284 5.00384      2.78318  4.49992      2.39415  19.3836     358.48      12.4985     358.48      
1 1 1 15 3  0  o 84.926  2.5369  39.5181      3.30418  39.5181      3.30418  25.1889     90          124.538     270         
1 1 1 15 3  1  o 72.3885 2.72052 31.7996      3.01706  25.7196      3.00121  48.7841     28.2328     32.8039     208.233     
1 1 1 15 3  2  o 56.4416 3.12646 18.1464      2.68244  16.8764      2.70493  26.013      256.477     38.8407     76.4773     
1 1 1 15 3  3  o 79.8421 2.60732 30.3159      3.17937  39.7191      3.16765  81.2498     288.174     28.4562     288.174     
1 1 1 15 3  4  o 164.174 2.26743 148.504      6.14006  145.496      5.30177  163.145     76.0726     3.14919     256.073     
1 1 1 15 3  5  o 168.441 2.18091 144.524      5.80111  165.261      5.46599  200.321     308.566     64.3575     308.566     
1 1 1 15 3  6  o 137.156 2.23084 106.856      4.86588  98.4192      4.55906  126.493     91.0339     19.8        271.034     
1 1 1 15 3  7  o 170.156 2.16862 153.408      5.48241  162.44       5.88296  174.691     317.478     7.29973     317.478     
1 1 1 15 3  8  o 83.934  2.51692 36.6079      3.25945  40.461       3.2237   67.6499     95.2914     22.6213     275.291     
1 1 1 15 3  9  o 46.9409 3.55546 13.6145      2.53465  10.8411      2.49912  15.9541     43.0561     4.38982     223.056     
1 1 1 15 3  10 o 149.828 2.13954 122.042      4.9396   122.808      4.93296  180.481     61.1864     63.0258     61.1864     
1 1 1 15 3  11 o 133.05  2.18721 99.69        4.50167  93.4656      4.45855  117.696     129.034     30.4644     309.034     
1 1 1 15 3  12 o 179.002 2.08817 180.764      5.77424  168.821      5.7338   187.952     20.2556     14.4194     20.2557     
1 1 1 15 3  13 o 179.569 2.17237 177.719      5.78342  174.054      6.21752  197.616     55.6176     32.631      55.6177     
1 1 1 15 3  14 o 148.741 2.21233 118.676      4.9073   122.722      5.22637  143.216     10.1932     12.6958     190.193     
1 1 1 15 3  15 o 87.4917 2.69989 44.5501      3.39265  39.291       3.81371  88.8167     337.806     9.71431     337.806     
1 1 1 15 3  16 o 101.992 2.43744 54.5659      3.69857  59.164       3.9481   116.988     151.376     36.2236     151.376     
1 1 1 15 3  17 o 173.786 2.10276 166.892      5.63931  162.625      5.61472  226.31      292.051     104.655     292.051     
1 1 1 15 3  18 o 176.096 2.09794 167.399      5.68787  170.969      5.68957  175.684     299.658     3.21065     119.658     
1 1 1 15 3  19 o 120.49  2.26409 79.4825      4.20974  79.1191      4.18447  127.688     208.865     17.0918     208.865     
1 1 1 15 3  20 o 43.6922 3.91209 8.54069      2.47775  12.9763      2.5885   13.5661     260.978     108.097     260.978     
1 1 1 15 3  21 f 71.4447 3.10785 30.0956      3.41946  26.0784      3.37489  86.8226     346.816     0           0           
1 1 1 15 3  22 o 44.8675 4.10635 10.6972      2.79753  11.8352      2.73201  29.8364     185.41      19.7783     5.40956     
1 1 1 15 3  23 o 35.0457 4.93042 6.58734      2.51592  7.49512      2.6193   6.41328     39.6855     2.06003     39.6854     
1 1 1 15 3  24 o 142.019 2.35228 103.772      5.1231   117.04       5.15317  135.255     327.271     13.7919     147.271     
1 1 1 15 3  25 f 64.6572 3.77254 19.7501      3.66226  26.9487      3.71423  27.0181     285.143     0           0           
1 1 1 15 3  26 o 134.379 2.79524 97.6577      5.76287  100.771      5.79223  151.988     302.353     36.8891     302.353     
1 1 1 15 3  27 o 76.7238 2.72247 33.7852      3.22391  31.0643      3.1856   87.5836     276.426     27.8187     276.426     
1 1 1 15 3  28 o 77.877  2.65717 30.4047      3.24693  36.5507      3.06563  97.8749     134.361     46.3258     134.361     
1 1 1 15 3  29 o 32.3044 4.83433 8.3868       2.30508  3.98949      2.40074  12.8948     241.095     31.1298     61.0953     
1 1 1 15 3  30 o 48.5237 3.52474 12.2144      2.5417   14.2903      2.6443   45.8707     163.772     0.226454    163.771     
1 1 1 15 3  31 o 78.1995 2.60405 35.1398      2.99471  32.5396      3.24018  90.9271     343.299     28.3939     343.299     
1 1 1 15 3  32 o 68.4126 2.87202 26.2799      3.06958  25.8343      2.95406  69.688      231.19      5.31179     231.19      
1 1 1 15 3  33 o 20.5243 5.27799 2.69905      2.10053  1.39945      2.29746  9.80415     278.359     10.875      98.3594     
1 1 1 15 3  34 o 66.7779 3.13531 22.5572      3.28144  27.6776      3.0734   82.3598     225.385     35.1606     225.385     
1 1 1 15 3  35 o 42.2629 3.78803 9.68591      2.26991  10.9391      2.55215  49.1246     273.557     19.6647     273.557     
1 1 1 15 3  36 f 43.6017 3.69144 13.1332      2.29808  8.95093      2.43255  40.1651     239.703     0           0           
1 1 1 15 3  37 o 68.5163 2.84926 24.7529      2.98441  28.0931      2.99185  73.7171     87.1398     13.8208     87.1398     
1 1 1 15 3  38 o 60.0866 3.09937 22.049       3.0703   19.0443      2.62912  63.6054     113.404     10.3162     113.404     
1 1 1 15 3  39 o 23.7162 5.21997 3.32327      2.2013   3.67912      2.03025  17.0093     122.534     8.03041     302.534     
1 1 1 15 3  40 o 20.1699 5.01072 0.545214     2.05015  3.75225      2.11751  4.59793     132.224     26.2936     312.224     
1 1 1 15 3  41 o 38.3133 4.01567 8.30247      2.2723   9.39003      2.3177   35.1408     15.0501     1.5817      195.05      
1 1 1 15 3  42 o 31.4174 4.6498  4.81398      2.17231  7.72578      2.19643  17.9547     194.838     22.3982     14.8383     
1 1 1 15 3  43 o 27.7392 5.24085 6.00069      2.34334  4.29227      2.25783  17.7365     226.067     14.7827     46.067      
1 1 1 15 3  44 f 21.889  5.44167 3.61136      2.17062  2.68442      2.44412  16.4334     194.107     0           0           
1 1 1 15 3  45 o 16.4315 4.89199 -0.608002    2.13058  2.15139      2.25997  9.68816     289.899     5.6809      109.899     
1 1 1 15 3  46 o 21.904  5.59574 4.02381      2.35858  2.72816      2.57522  21.7471     264.95      7.9553      264.95      
1 1 1 15 3  47 o 23.6038 5.78025 2.20205      2.72439  6.05717      2.75302  20.2081     96.2027     0.0780786   276.203     
1 1 1 15 3  48 o 22.4312 5.90757 6.57584      3.17748  1.12204      2.70547  22.0336     242.785     10.3777     242.785     
1 1 1 15 3  49 o 18.8878 5.22378 2.34959      2.18906  2.66112      2.22055  12.6266     176.503     7.22037     356.503     
1 1 1 15 3  50 o 19.5609 5.53594 3.51406      2.71246  2.38995      2.34142  18.6249     357.901     7.57447     357.901     
1 1 1 15 3  51 o 16.986  5.15359 0.333581     2.30786  2.95104      2.60633  10.0091     82.1014     7.69148     262.101     
1 1 1 15 3  52 o 17.307  5.10926 2.33202      2.25745  1.8554       2.2906   7.11982     269.963     4.2265      269.963     
1 1 1 15 3  53 o 17.3277 5.16896 3.58618      2.4685   0.0486641    2.57495  9.34102     214.46      8.26492     34.4605     
1 1 1 15 3  54 o 32.6059 5.66028 7.79023      2.84918  10.3676      2.84954  37.6157     145.775     21.6331     145.775     
1 1 1 15 3  55 o 14.1498 4.58839 1.43868      2.26351  -0.690033    2.37286  6.23332     338.074     2.63552     158.074     
1 1 1 15 3  56 o 13.5795 4.52091 0.146879     2.56079  -0.0630834   2.30778  7.99412     56.4728     0.459071    56.4728     
1 1 1 15 4  0  o 255.013 2.16305 354.488      8.49139  354.488      8.49139  289.358     90          54.2219     90          
1 1 1 15 4  1  o 71.3914 2.94554 30.8355      3.44443  25.1575      3.00831  31.0986     350.912     69.875      170.912     
1 1 1 15 4  2  o 63.6507 2.99913 23.7352      3.00437  20.7596      2.83993  3.23848     315.772     111.559     135.772     
1 1 1 15 4  3  o 83.7616 2.53867 37.4467      3.26934  39.2686      3.26282  63.5867     205.857     29.5244     25.857      
1 1 1 15 4  4  o 118.986 2.25962 86.2139      4.11654  68.7747      4.11849  98.333      292.601     37.8368     112.601     
1 1 1 15 4  5  o 120.264 2.2404  80.9379      4.16076  76.9627      4.12889  88.2316     252.498     61.7798     72.498      
1 1 1 15 4  6  o 107.402 2.32446 67.5439      3.87502  58.5767      3.79511  123.143     1.86402     42.0033     1.86402     
1 1 1 15 4  7  o 93.9055 2.41251 45.7137      3.47403  50.6973      3.48496  81.2446     149.162     17.4436     329.162     
1 1 1 15 4  8  o 157.806 2.11875 143.568      5.17014  128.252      5.11767  192.412     359.875     70.6785     359.875     
1 1 1 15 4  9  o 106.772 2.32244 58.7851      3.81088  65.8151      3.80754  112.635     111.825     18.4075     111.825     
1 1 1 15 4  10 o 48.9686 3.57245 14.9247      2.5905   11.6878      2.67061  19.6134     354.514     41.2303     174.514     
1 1 1 15 4  11 o 80.5992 2.66526 34.6786      3.18156  36.4169      3.41609  53.318      235.923     48.6044     55.9229     
1 1 1 15 4  12 o 39.7569 4.41533 6.33855      2.51634  11.8196      2.56243  13.709      347.025     25.8562     167.025     
1 1 1 15 4  13 o 57.3985 3.14393 15.6691      2.73729  20.7411      2.73057  31.5844     156.73      41.8839     336.73      
1 1 1 15 4  14 o 87.9201 2.53751 40.4078      3.42081  44.1658      3.43089  109.526     214.347     56.0427     214.347     
1 1 1 15 4  15 o 159.328 2.13617 140.514      5.26158  136.442      5.22014  147.048     93.4932     26.5168     273.493     
1 1 1 15 4  16 o 39.7717 4.16403 9.84251      2.43647  7.92938      2.48024  16.1569     0.774506    20.337      180.775     
1 1 1 15 4  17 o 144.067 2.16861 111.244      4.79482  115.264      4.82659  186.708     23.4479     88.288      23.4479     
1 1 1 15 4  18 o 114.276 2.3009  72.1855      4.04026  70.5017      4.04885  89.5278     80.0127     47.647      260.013     
1 1 1 15 4  19 o 60.5792 3.14823 19.985       2.83598  20.3961      2.99577  40.6037     249.609     31.1302     69.6093     
1 1 1 15 4  20 o 18.7911 5.28394 0.719019     2.29817  1.32236      2.29118  15.7664     199.152     46.849      199.152     
1 1 1 15 4  21 o 78.704  3.00197 34.6906      3.63621  33.3375      3.61269  52.0076     262.673     50.093      82.6732     
1 1 1 15 4  22 o 110.072 2.91364 62.4017      4.89729  70.6066      4.95115  91.6583     136.331     36.0042     316.331     
1 1 1 15 4  23 o 41.5278 4.42054 11.1784      2.74896  8.38552      2.69211  12.3027     228.496     51.0778     48.4963     
1 1 1 15 4  24 o 151.639 2.32907 129.616      5.44187  122.007      5.43178  151.224     246.645     0.90562     66.6452     
1 1 1 15 4  25 f 107.219 2.6484  60.0261      4.34191  66.2411      4.38374  86.4712     264.776     0           0           
1 1 1 15 4  26 o 67.5025 3.13244 26.6737      3.24499  23.7364      3.22336  49.6755     220.134     30.8762     40.1335     
1 1 1 15 4  27 f 57.5186 3.3434  18.9295      2.93501  17.8416      2.9332   56.9604     89.1357     0           0           
1 1 1 15 4  28 o 81.7478 2.84562 39.0493      3.38711  34.79        3.71714  54.4945     120.684     52.0184     300.684     
1 1 1 15 4  29 o 177.219 2.13881 166.833      5.64095  177.802      6.03402  196.499     164.619     39.2856     164.619     
1 1 1 15 4  30 o 102.775 2.29038 56.8937      3.62095  59.3914      3.61826  124.609     39.6824     46.3171     39.6824     
1 1 1 15 4  31 o 37.1747 3.94236 9.02656      2.15933  6.89686      2.17858  38.7714     284.159     9.77685     284.159     
1 1 1 15 4  32 o 84.7034 2.43132 38.5075      3.15433  40.8726      3.17336  91.1968     32.3717     15.5764     32.3717     
1 1 1 15 4  33 o 71.2833 2.61581 29.4825      2.85879  27.021       2.85977  76.8869     203.453     14.3819     203.453     
1 1 1 15 4  34 o 110.008 2.64559 71.6445      4.52666  63.1298      4.41601  124.674     327.038     32.3552     327.038     
1 1 1 15 4  35 o 46.2493 3.87608 11.8043      2.56606  12.912       2.84861  44.2824     144.448     0.327855    144.448     
1 1 1 15 4  36 o 47.7757 3.38997 11.7815      2.36628  14.3438      2.54955  40.086      358.484     11.7556     178.484     
1 1 1 15 4  37 o 22.3088 5.18558 3.20397      1.97295  2.66324      2.1722   19.5901     3.36969     7.77201     3.36969     
1 1 1 15 4  38 o 39.7684 4.22152 12.5476      2.43597  6.66652      2.39176  34.8337     138.401     6.42951     318.401     
1 1 1 15 4  39 o 35.5522 4.38822 6.93195      2.38105  8.43256      2.22046  32.2381     77.3393     2.28488     257.339     
1 1 1 15 4  40 o 21.0863 5.26155 2.7521       2.26768  2.55302      1.98895  13.7123     111.226     7.2238      291.226     
1 1 1 15 4  41 o 19.0617 5.22705 1.31502      1.98917  2.41032      2.39868  9.99846     91.5849     10.0791     271.585     
1 1 1 15 4  42 o 28.0359 5.25142 7.54595      2.45611  2.78488      2.5178   19.1189     184.759     12.2328     4.75863     
1 1 1 15 4  43 o 26.635  5.47175 4.41258      2.40367  5.24738      2.36805  24.4569     328.139     3.04121     328.139     
1 1 1 15 4  44 f 36.9842 4.34305 8.75459      2.42479  8.62598      2.34834  28.1896     222.063     0           0           
1 1 1 15 4  45 o 31.1728 5.48779 7.15087      2.66407  6.67032      2.58491  27.5354     115.072     2.12036     295.072     
1 1 1 15 4  46 o 18.9986 5.52009 1.24847      2.67317  2.73954      2.58298  10.3593     50.2038     6.36432     50.2038     
1 1 1 15 4  47 o 35.7588 6.08511 11.1458      3.92959  8.70199      2.70516  44.5324     236.873     25.8706     236.873     
1 1 1 15 4  48 o 21.1203 5.62268 4.674        2.65373  1.94155      2.47691  11.6955     221.79      13.5295     41.7903     
1 1 1 15 4  49 o 24.9202 5.73632 5.80551      2.48161  4.3503       2.66553  26.3342     329.891     9.38414     329.891     
1 1 1 15 4  50 o 14.2658 4.64715 -0.428364    2.13538  0.247994     2.56072  8.76462     284.392     2.83564     104.392     
1 1 1 15 4  51 o 20.7124 5.45409 3.86668      2.27883  3.21011      2.40706  13.3322     81.0304     9.09483     261.03      
1 1 1 15 4  52 o 13.4659 4.38801 -1.85003     2.19732  0.999183     2.15932  7.13717     80.9646     0.398186    260.965     
1 1 1 15 4  53 o 19.7721 5.32712 2.29228      2.27035  4.26405      2.33295  14.4111     67.8642     1.4602      247.864     
1 1 1 15 4  54 o 18.1365 5.34436 0.759987     2.52971  4.22412      2.65252  8.25718     23.7208     2.47477     23.7208     
1 1 1 15 4  55 o 15.6105 4.8953  -1.51097     2.50856  3.55         2.55267  9.19172     228.705     2.06192     48.7052     
1 1 1 15 4  56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 5  0  o 13.4365 5.73046 0.963713     2.16089  0.963713     2.16089  56.6883     270         122.598     270         
1 1 1 15 5  1  o 82.2934 2.57285 38.0517      3.2403   36.0193      3.26181  91.2467     184.546     48.2746     184.546     
1 1 1 15 5  2  f 114.037 2.35271 74.4855      3.98118  67.5964      4.24793  171.693     204.739     0           0           
1 1 1 15 5  3  o 62.0696 3.19147 20.544       2.80152  21.7876      3.25149  48.4749     149.644     12.6364     149.644     
1 1 1 15 5  4  o 77.1956 2.73325 28.7044      3.08131  36.7688      3.38925  3.73448     218.738     142.142     38.7381     
1 1 1 15 5  5  o 82.8729 2.86431 38.2923      3.52628  36.8969      3.75309  88.2126     84.278      28.3926     84.278      
1 1 1 15 5  6  o 61.0505 3.07073 19.4198      2.77652  21.5357      2.96019  22.2621     210.089     66.504      30.0892     
1 1 1 15 5  7  o 147.734 2.22819 124.503      4.91609  113.707      5.19735  156.931     35.6975     19.3401     35.6975     
1 1 1 15 5  8  o 265.745 2.0181  391.605      8.26539  378.596      8.24992  295.735     314.663     51.441      314.663     
1 1 1 15 5  9  o 81.6412 2.5696  38.8044      3.2449   34.1727      3.1929   86.4496     64.6662     22.5544     64.6662     
1 1 1 15 5  10 o 148.822 2.14624 125.296      4.93674  116.384      4.8967   188.656     237.439     81.7329     237.439     
1 1 1 15 5  11 o 14.314  4.53337 -0.831021    2.07412  -1.01487     2.04597  25.4165     226.495     58.5101     226.495     
1 1 1 15 5  12 o 97.4159 2.43478 53.4724      3.6418   50.2633      3.64863  93.7334     263.449     2.57865     83.4493     
1 1 1 15 5  13 o 194.632 2.07697 204.731      6.23232  208.49       6.21696  208.38      36.5781     23.882      36.5781     
1 1 1 15 5  14 o 151.846 2.33447 123.221      5.84207  128.445      5.02546  96.5862     184.189     112.626     4.18915     
1 1 1 15 5  15 o 47.6757 3.65218 12.3333      2.57929  12.8493      2.69794  23.3976     314.527     33.6263     134.527     
1 1 1 15 5  16 o 93.4837 2.48853 45.7234      3.59526  49.8861      3.54922  77.7143     151.82      26.7699     331.82      
1 1 1 15 5  17 o 251.153 2.02909 344.302      7.85293  343.919      7.84196  267.89      176.267     28.159      176.267     
1 1 1 15 5  18 o 95.6191 2.55952 51.3982      3.90138  48.6555      3.62277  77.0932     120.991     33.2112     300.991     
1 1 1 15 5  19 o 115.629 2.31211 69.6131      4.10404  76.5967      4.11473  130.869     121.849     33.9826     121.849     
1 1 1 15 5  20 o 116.175 2.82728 74.7367      4.81298  73.1146      5.27135  93.3668     93.2347     44.5957     273.235     
1 1 1 15 5  21 o 141.098 2.73728 110.278      5.96237  107.76       5.92102  131.299     36.297      19.9227     216.297     
1 1 1 15 5  22 o 103.851 2.98811 57.8153      4.78844  60.6081      4.74547  123.198     88.2804     42.4269     88.2804     
1 1 1 15 5  23 o 66.1038 3.16827 24.3458      3.21786  23.8486      3.19408  49.3862     30.4914     28.2566     210.491     
1 1 1 15 5  24 o 166.379 2.18353 149.152      5.77584  153.637      5.39982  208.875     310.824     86.0729     310.824     
1 1 1 15 5  25 o 85.7707 3.01003 40.116       4.10454  40.9547      3.81241  89.3231     272.782     12.2087     272.782     
1 1 1 15 5  26 o 119.97  2.82201 76.8977      5.20098  81.5158      5.20809  117.613     166.852     2.56068     346.852     
1 1 1 15 5  27 o 98.5887 2.61316 55.0896      3.82122  51.8861      4.08355  111.411     274.569     29.3356     274.569     
1 1 1 15 5  28 o 61.3381 2.84148 21.7804      2.64594  19.8898      2.68558  75.4103     202.581     36.0788     202.581     
1 1 1 15 5  29 o 16.99   4.62527 2.18301      1.85435  -0.628774    1.8372   0.0202737   353.087     12.0876     353.087     
1 1 1 15 5  30 o 51.0848 3.10872 14.0178      2.42496  15.1644      2.41462  49.0373     272.992     0.208475    272.993     
1 1 1 15 5  31 o 103.469 2.28255 57.6845      3.62666  60.4074      3.63682  124.464     73.4588     44.6162     73.4588     
1 1 1 15 5  32 o 23.4056 4.87131 4.21941      1.92496  2.15619      1.94152  14.8583     196.791     7.91306     16.7909     
1 1 1 15 5  33 f 39.5653 3.83546 9.29884      2.34922  8.7337       2.202    13.3874     28.4412     0           0           
1 1 1 15 5  34 o 90.5027 2.3953  41.5641      3.29506  49.499       3.35458  106.88      230.905     36.3402     230.905     
1 1 1 15 5  35 o 78.3494 2.79844 34.6412      3.36065  34.0897      3.36982  94.2657     340.989     35.8604     340.989     
1 1 1 15 5  36 o 61.1249 3.17243 21.0882      2.97551  21.2494      2.95486  43.1809     217.634     32.7478     37.6342     
1 1 1 15 5  37 o 64.0868 2.85996 23.4401      2.73952  22.8875      2.87244  73.504      109.605     22.5888     109.605     
1 1 1 15 5  38 o 18.1931 5.11679 1.91589      1.95238  0.48696      2.47447  13.1462     122.373     0.37913     122.373     
1 1 1 15 5  39 f 24.8943 5.13135 5.80031      2.16943  1.60222      2.49832  32.6102     317.304     0           0           
1 1 1 15 5  40 o 32.2845 4.99585 5.615        2.28936  7.71818      2.55343  24.3755     143.918     10.817      323.918     
1 1 1 15 5  41 o 13.866  4.3261  -1.86208     1.90143  0.794007     1.88882  3.16487     244.55      4.63629     64.5499     
1 1 1 15 5  42 o 17.616  5.05072 0.638143     2.10672  1.918        2.20501  9.60361     37.6097     5.17198     217.61      
1 1 1 15 5  43 o 20.4372 5.43042 2.22348      2.10063  2.92201      2.53196  13.0546     334.061     7.30856     154.061     
1 1 1 15 5  44 o 13.9762 4.44216 0.675905     2.11145  -1.54333     1.96412  5.88173     137.753     3.98977     317.753     
1 1 1 15 5  45 o 19.5814 5.90672 4.64228      3.71985  -0.803144    2.69646  6.95578     276.989     20.4391     96.9893     
1 1 1 15 5  46 o 49.0452 4.15383 15.1945      3.19167  15.6092      2.94008  62.14       217.621     32.3459     217.621     
1 1 1 15 5  47 o 23.522  5.42727 6.67658      2.66826  1.57968      2.29611  18.9215     54.6856     2.55128     234.686     
1 1 1 15 5  48 o 19.019  5.52102 2.9276       2.64099  1.86093      2.55857  16.1926     296.305     8.15668     296.305     
1 1 1 15 5  49 o 18.3825 5.2601  2.83088      2.20413  1.61905      2.52119  16.2214     204.518     3.18968     204.518     
1 1 1 15 5  50 o 13.5038 4.39085 0.218624     2.0975   -0.735904    2.11137  6.8264      220.826     5.83977     40.8264     
1 1 1 15 5  51 o 23.1924 5.44545 5.7935       2.36859  3.24628      2.35128  20.1198     237.011     0.322937    237.01      
1 1 1 15 5  52 o 24.9453 5.53896 5.73479      2.36347  4.99161      2.39442  27.3431     109.133     14.4509     109.133     
1 1 1 15 5  53 o 15.9904 4.89673 2.63469      2.32554  -0.150356    2.28685  4.35746     18.0757     0.497251    18.0756     
1 1 1 15 5  54 o 13.5911 4.46983 -0.252776    2.20213  0.0899822    2.32244  2.33831     334.931     1.18126     154.931     
1 1 1 15 5  55 o 16.809  5.16628 3.55935      2.54912  0.909814     2.60136  11.1122     230.076     2.71532     50.0759     
1 1 1 15 5  56 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 6  0  o 164.525 2.12049 147.638      5.36825  147.638      5.36825  25.9978     270         284.861     90          
1 1 1 15 6  1  o 165.621 2.2619  147.951      5.78736  151.302      5.74904  171.85      71.2614     11.9486     71.2615     
1 1 1 15 6  2  o 134.225 2.36822 97.5792      4.53181  99.0741      5.2327   126.95      156.776     12.5054     336.776     
1 1 1 15 6  3  o 151.657 2.22617 123.764      5.01057  127.146      5.38475  163.674     338.242     25.2131     338.242     
1 1 1 15 6  4  o 241.667 2.03456 318.64       7.57689  318.275      7.56595  290.047     176.508     91.1248     176.508     
1 1 1 15 6  5  o 74.201  2.75388 25.0013      3.09728  35.7666      3.09476  26.9744     178.313     88.1515     358.313     
1 1 1 15 6  6  o 51.3803 3.48576 12.5444      2.63832  16.7498      2.78048  19.1273     358.088     6.50139     358.088     
1 1 1 15 6  7  o 92.5209 2.66277 46.9812      3.51918  46.6368      4.03235  62.8493     156.523     54.7814     336.523     
1 1 1 15 6  8  o 118.085 2.36117 77.3838      4.14895  74.9134      4.41978  100.64      126.243     32.8619     306.243     
1 1 1 15 6  9  o 127.089 2.23965 92.3426      4.38283  84.0345      4.37244  122.288     313.493     8.13068     133.493     
1 1 1 15 6  10 o 155.602 2.15478 127.739      5.15909  136.466      5.16293  178.351     202.528     45.5298     202.528     
1 1 1 15 6  11 o 78.9743 2.65923 34.0654      3.21858  34.1981      3.23072  41.6174     35.7952     70.0622     215.795     
1 1 1 15 6  12 o 55.6803 3.45835 18.3741      2.78642  15.8556      3.04207  29.7184     249.683     41.169      69.683      
1 1 1 15 6  13 o 37.1076 4.45009 7.14986      2.45346  8.40165      2.441    11.4926     99.2706     16.8085     279.271     
1 1 1 15 6  14 o 159.594 2.22827 136.163      5.66443  141.813      5.27091  194.694     150.745     71.4223     150.745     
1 1 1 15 6  15 o 71.6586 2.80829 25.9881      3.08213  30.3868      3.0758   73.0171     321.348     16.0702     321.348     
1 1 1 15 6  16 o 82.8871 2.61447 37.592       3.35254  37.6166      3.30454  73.3693     190.195     11.6395     10.195      
1 1 1 15 6  17 o 66.1203 2.93286 23.2473      2.97409  24.7669      2.96546  58.3077     255.031     5.03451     75.0309     
1 1 1 15 6  18 o 14.9954 4.65442 0.403338     2.13383  -2.09111     2.14772  13.5712     212.817     33.7436     212.817     
1 1 1 15 6  19 o 166.497 2.31461 160.489      5.97438  142.602      5.88377  162.967     294.303     7.85229     114.302     
1 1 1 15 6  20 o 148.528 2.51744 121.14       5.76139  120.087      5.75418  181.612     125.794     67.1747     125.794     
1 1 1 15 6  21 o 126.12  2.99496 88.6754      5.49177  85.8676      6.09717  113.902     22.8655     23.4815     202.865     
1 1 1 15 6  22 o 40.5721 4.6752  5.67547      2.68729  13.8022      2.6869   10.846      159.902     51.5543     339.902     
1 1 1 15 6  23 o 144.232 2.2437  110.356      5.13856  117.257      4.8089   130.161     318.372     27.2425     138.372     
1 1 1 15 6  24 o 68.9244 3.22788 23.3081      3.396    29.3704      3.37739  61.4088     221.308     8.6124      41.3076     
1 1 1 15 6  25 o 158.55  2.66504 143.719      6.51553  132.374      6.4905   168.252     281.703     20.8402     281.703     
1 1 1 15 6  26 o 66.5764 3.25742 23.3445      3.18099  25.8349      3.45874  52.4225     248.441     23.5272     68.441      
1 1 1 15 6  27 o 48.6502 3.36723 11.9045      2.40757  14.604       2.56526  33.8141     56.8566     23.8536     236.857     
1 1 1 15 6  28 o 164.897 2.08402 143.505      5.2802   154.847      5.29829  141.006     76.0139     46.3928     256.014     
1 1 1 15 6  29 o 27.0348 4.80443 4.09998      2.00368  4.52488      1.994    12.1764     146.9       22.0791     326.9       
1 1 1 15 6  30 o 51.2021 3.25778 12.8519      2.56953  16.6944      2.45354  40.801      41.1154     17.4235     221.115     
1 1 1 15 6  31 o 53.12   3.03935 14.9513      2.44682  16.6757      2.47844  61.681      37.6637     21.9549     37.6637     
1 1 1 15 6  32 o 62.2032 2.80252 19.6952      2.6398   23.5656      2.68767  68.3355     322.338     16.2197     322.338     
1 1 1 15 6  33 o 19.7438 4.92228 0.713388     2.03565  3.04415      1.90835  10.2853     234.881     6.23008     54.8805     
1 1 1 15 6  34 o 73.9649 2.57155 27.9337      2.89591  33.1487      2.92965  85.9215     320.451     27.9841     320.451     
1 1 1 15 6  35 o 24.2469 5.0216  4.95198      1.99076  1.83859      2.31703  20.6812     116.994     9.03395     116.994     
1 1 1 15 6  36 o 13.0731 4.23905 -0.912976    2.04439  -1.24209     1.81278  2.35816     237.427     7.63162     57.427      
1 1 1 15 6  37 o 18.954  5.31254 1.24773      2.24927  1.79926      2.36811  14.4607     277.037     5.38032     277.037     
1 1 1 15 6  38 o 17.6361 5.00641 2.24887      2.16262  -0.337044    2.1971   11.4687     48.5706     0.264444    48.5706     
1 1 1 15 6  39 o 25.9754 5.12345 4.89206      2.09493  3.73056      2.19632  26.2769     238.392     10.4083     238.392     
1 1 1 15 6  40 o 23.8575 5.35684 3.42265      2.20943  3.89587      2.2182   21.9373     327.194     8.7997      327.194     
1 1 1 15 6  41 o 21.6168 5.22415 2.67308      2.13476  3.13386      2.05603  13.3114     244.399     9.24281     64.3987     
1 1 1 15 6  42 o 24.071  5.5701  3.41728      2.66117  4.27         2.18468  19.9492     137.344     0.206309    317.344     
1 1 1 15 6  43 o 19.4832 5.22121 1.73925      2.06423  2.80317      2.26023  14.8332     155.833     3.48713     155.833     
1 1 1 15 6  44 o 18.2763 5.50046 2.03606      2.59336  0.552455     2.92948  13.5027     164.483     0.0447803   164.483     
1 1 1 15 6  45 o 18.9695 5.56159 3.57298      2.8792   -0.121262    2.68845  16.4998     130.152     6.5029      130.152     
1 1 1 15 6  46 o 15.8587 4.84801 0.654002     2.09629  0.925074     2.24128  9.12073     65.6788     1.91803     65.6788     
1 1 1 15 6  47 o 22.68   5.54525 2.47646      2.54395  5.21232      2.42299  11.5062     17.1355     17.1454     197.136     
1 1 1 15 6  48 o 14.2766 4.63607 -1.11776     2.27902  0.521398     2.39798  5.33791     273.702     2.17829     273.702     
1 1 1 15 6  49 o 17.3888 5.06687 2.49426      2.20734  1.23969      2.22868  15.0001     0.843492    4.85428     0.843491    
1 1 1 15 6  50 f 18.7129 5.22938 1.0171       2.48878  3.80026      2.27017  5.16776     283.22      0           0           
1 1 1 15 6  51 o 16.9562 5.11082 1.44226      2.47188  2.22167      2.2669   13.193      105.652     3.72373     105.652     
1 1 1 15 6  52 o 18.16   5.26631 2.48509      2.35281  2.68947      2.3538   11.9133     54.8049     4.26634     234.805     
1 1 1 15 6  53 o 24.5159 5.35733 7.27059      2.43722  3.1077       2.41551  22.6965     125.053     9.68883     125.053     
1 1 1 15 6  54 o 13.8691 4.47625 1.5712       2.1735   -1.29009     2.23462  5.36735     68.3611     5.13417     248.361     
1 1 1 15 6  55 o 15.2499 4.78459 0.540925     2.26984  2.28353      2.27621  6.23552     87.6129     2.80845     87.6129     
1 1 1 15 7  0  o 136.884 2.20687 102.266      4.64631  102.266      4.64631  77.1231     90          125.193     270         
1 1 1 15 7  1  o 243.556 2.11574 315.941      8.18287  331.174      7.66309  283.513     96.7443     74.6876     96.7443     
1 1 1 15 7  2  o 114.999 2.49079 70.9966      4.69634  73.4943      4.0811   108.417     167.996     9.24228     347.996     
1 1 1 15 7  3  o 179.911 2.17364 172.562      6.19125  180.574      5.83691  218.918     178.965     77.6687     178.965     
1 1 1 15 7  4  o 46.4355 3.81101 9.56165      2.6156   14.6375      2.61943  19.2391     95.9034     2.42964     95.9034     
1 1 1 15 7  5  o 149.089 2.25157 121.963      4.96743  120.553      5.36098  148.134     192.195     1.61113     12.1955     
1 1 1 15 7  6  o 107.883 2.35007 63.4838      3.92057  63.6451      3.87818  108.142     201.31      5.09839     201.31      
1 1 1 15 7  7  o 37.0882 4.46942 6.24742      2.43739  9.40888      2.43165  1.94686     27.7484     53.0728     207.748     
1 1 1 15 7  8  o 158.488 2.13924 141.886      5.22803  132.217      5.20951  169.319     306.299     21.5103     306.299     
1 1 1 15 7  9  o 106.108 2.48326 60.2224      3.90478  62.8316      4.19856  138.237     357.153     74.0971     357.153     
1 1 1 15 7  10 o 158.19  2.22129 137.077      5.26187  135.96       5.55474  115.6       170.417     86.5631     350.417     
1 1 1 15 7  11 o 27.8806 5.46912 6.05417      2.39838  2.45221      2.75039  13.0881     168.19      60.6829     168.19      
1 1 1 15 7  12 o 58.3361 3.41971 18.3121      2.97054  19.1892      3.11864  27.1984     243.869     52.9965     63.8686     
1 1 1 15 7  13 o 38.1909 4.46387 6.59216      2.52689  10.0098      2.46457  10.9885     259.38      6.26586     79.3801     
1 1 1 15 7  14 o 246.628 2.03998 328.884      7.75352  334.758      7.74079  307.065     43.9257     118.015     43.9257     
1 1 1 15 7  15 o 164.042 2.13904 143.074      5.40443  150.664      5.39942  204.389     325.734     82.7287     325.734     
1 1 1 15 7  16 o 171.571 2.12852 159.213      5.61457  162.085      5.63232  168.361     327.413     6.70932     147.413     
1 1 1 15 7  17 f 135.075 2.40767 96.9376      4.99656  102.478      5.0125   105.75      193.581     0           0           
1 1 1 15 7  18 o 132.061 2.44488 96.7273      4.97634  94.0107      4.95837  153.19      11.1249     44.7403     11.1249     
1 1 1 15 7  19 f 182.137 2.43804 184.572      6.85724  178.122      6.81776  168.677     184.416     0           0           
1 1 1 15 7  20 o 56.6978 3.6348  21.6048      3.09324  14.3872      3.07454  60.1001     252.07      18.52       252.07      
1 1 1 15 7  21 o 84.2173 2.86259 37.2165      3.70148  40.7457      3.6952   83.4974     22.3485     3.58379     22.3486     
1 1 1 15 7  22 o 43.9823 4.72971 7.13145      2.97414  15.5769      2.89401  38.2055     85.4852     6.58509     85.4852     
1 1 1 15 7  23 o 40.5474 4.23231 10.3047      2.59691  8.34438      2.51416  31.9513     41.9359     5.33375     41.9359     
1 1 1 15 7  24 o 58.7754 3.55916 20.9601      3.32744  17.5444      3.05224  49.8036     36.1917     10.5944     216.192     
1 1 1 15 7  25 o 105.932 2.64098 59.1087      4.30493  64.3674      4.29103  113.687     297.152     19.3007     297.152     
1 1 1 15 7  26 o 77.1025 2.72885 32.8288      3.21005  32.7558      3.24907  50.4781     162.975     49.8933     342.975     
1 1 1 15 7  27 o 17.1438 4.77318 1.45284      1.85935  0.47292      1.88187  3.01707     284.873     22.5918     284.873     
1 1 1 15 7  28 o 46.977  3.40206 10.9993      2.32294  13.8737      2.52183  40.4695     167.781     7.67487     347.781     
1 1 1 15 7  29 o 44.7452 3.4112  11.5305      2.32496  11.0466      2.30118  36.2411     337.834     12.796      157.834     
1 1 1 15 7  30 o 59.8933 2.86834 19.8345      2.61632  20.1579      2.64336  60.9474     339.976     5.93834     339.976     
1 1 1 15 7  31 o 19.9598 4.52512 -0.555594    1.88039  4.04953      1.88107  2.1328      169.112     29.1826     349.112     
1 1 1 15 7  32 o 14.455  4.50363 -0.0421057   1.85722  -0.73034     2.06397  2.20238     93.6982     23.5144     93.6982     
1 1 1 15 7  33 o 46.1161 3.62101 12.875       2.54083  11.5126      2.50946  48.27       346.177     9.37748     346.177     
1 1 1 15 7  34 o 75.5147 2.64362 29.3669      2.94585  34.4195      3.18289  85.1428     246.257     23.5683     246.257     
1 1 1 15 7  35 o 79.871  2.54646 40.3518      3.14912  31.1507      3.06729  84.2998     80.6452     12.9915     80.6452     
1 1 1 15 7  36 o 27.1262 4.94453 4.44144      2.09604  4.66412      2.06221  27.2986     267.145     7.01795     267.145     
1 1 1 15 7  37 o 68.8774 2.78456 27.4971      2.86943  26.1278      3.00531  71.4319     85.7246     9.2718      85.7246     
1 1 1 15 7  38 o 16.4417 4.9246  0.951448     2.16991  0.134512     2.16379  8.31246     287.759     1.996       107.759     
1 1 1 15 7  39 o 16.6233 4.9261  2.10652      2.32822  -1.5147      2.20843  6.07459     339.803     12.47       159.803     
1 1 1 15 7  40 o 32.8549 4.60155 6.65076      2.24721  6.8353       2.24411  27.3563     194.212     5.4313      14.2123     
1 1 1 15 7  41 o 39.1031 4.39579 7.27199      2.44063  11.9205      2.59436  41.9467     221.294     11.9282     221.294     
1 1 1 15 7  42 o 25.1172 5.48426 5.23698      2.3645   3.3781       2.39665  19.0634     75.4361     5.50929     255.436     
1 1 1 15 7  43 o 19.8992 5.53029 3.07329      2.54203  1.58573      2.4738   16.072      50.5915     5.0217      50.5915     
1 1 1 15 7  44 o 16.468  5.19856 -0.377479    2.87611  0.885325     2.55574  11.1608     167.293     1.44596     347.293     
1 1 1 15 7  45 o 12.1038 4.05265 -1.39238     1.98273  -1.69127     2.04064  4.25457     134.221     4.04337     314.221     
1 1 1 15 7  46 o 17.1995 5.18933 1.08622      2.34799  1.59258      2.50223  11.4454     251.239     2.11103     251.239     
1 1 1 15 7  47 o 19.0968 5.44842 2.9254       2.19908  1.63128      2.95212  16.6826     49.6031     6.08541     49.6031     
1 1 1 15 7  48 o 15.0913 4.76919 1.7878       2.28967  -2.20955     2.61144  9.78904     44.3789     4.27134     44.3789     
1 1 1 15 7  49 o 20.9976 5.458   0.765166     2.25978  6.23619      2.80436  15.6707     355.778     4.65422     175.778     
1 1 1 15 7  50 o 32.5574 5.09289 8.06029      2.45573  8.05514      2.51545  35.9802     125.788     13.6858     125.788     
1 1 1 15 7  51 o 22.4816 5.56184 4.70657      2.35179  4.16393      2.41145  22.8928     313.939     10.1556     313.939     
1 1 1 15 7  52 o 15.6427 4.81511 -0.0864532   2.24345  2.3044       2.23822  7.83517     127.094     3.3249      307.094     
1 1 1 15 7  53 o 18.0012 5.21474 3.36618      2.37515  1.75825      2.29012  10.2976     153.015     1.60929     153.015     
1 1 1 15 7  54 o 16.6667 5.14976 2.47335      2.65592  2.05783      2.3497   10.7392     23.6605     1.47224     203.66      
1 1 1 15 7  55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 8  0  o 30.6655 6.01413 6.19373      2.45635  6.19373      2.45635  1.315       270         10.9761     90.0001     
1 1 1 15 8  1  f 34.9785 4.76584 9.26822      2.48456  4.87964      2.4376   93.6582     90.3574     0           0           
1 1 1 15 8  2  f 38.0998 4.43135 7.45618      2.48514  8.91507      2.5243   21.2513     255.904     0           0           
1 1 1 15 8  3  o 25.6212 5.31196 5.31072      2.38288  1.82304      2.34043  12.8092     244.222     51.6314     244.222     
1 1 1 15 8  4  o 89.5264 2.54675 46.5225      3.49446  41.2032      3.50265  93.0687     255.031     15.4266     255.031     
1 1 1 15 8  5  o 69.1689 3.0533  25.0359      3.35506  27.4895      3.09222  27.4741     115.771     77.2536     295.771     
1 1 1 15 8  6  o 98.4728 2.69425 51.0767      4.37875  55.019       3.71973  123.494     210.711     61.0076     210.711     
1 1 1 15 8  7  o 33.9145 5.08294 5.7168       2.60823  7.43897      2.53918  5.47411     337.762     15.5032     157.762     
1 1 1 15 8  8  o 85.776  2.61802 40.4359      3.4571   40.0574      3.44266  65.0818     258.924     35.3572     78.9244     
1 1 1 15 8  9  o 136.096 2.22471 106.666      4.69422  95.5975      4.62366  162.304     143.769     56.4731     143.769     
1 1 1 15 8  10 o 112.626 2.35409 77.3962      4.10055  61.6284      4.02412  99.7549     203.176     21.9168     23.1762     
1 1 1 15 8  11 o 56.5201 3.45538 14.1966      2.78772  21.4066      3.12711  42.663      307.581     12.2513     127.581     
1 1 1 15 8  12 o 31.5383 5.13477 5.50653      2.45191  5.89213      2.43333  7.81232     75.2887     59.2511     75.2887     
1 1 1 15 8  13 o 118.502 2.3906  76.8688      4.21628  76.6001      4.49449  83.7042     35.6965     67.0519     215.696     
1 1 1 15 8  14 o 70.6174 2.97919 28.0539      3.16042  26.6964      3.28334  48.6995     146.433     36.2825     326.433     
1 1 1 15 8  15 o 79.0228 3.08538 31.5969      3.58967  37.0651      3.89005  79.1585     3.89054     8.71454     3.89054     
1 1 1 15 8  16 o 85.3517 2.88868 40.7929      3.79585  39.1075      3.77452  96.1922     68.2727     29.6087     68.2727     
1 1 1 15 8  17 o 17.5417 5.25211 -0.0674513   2.51121  0.328931     2.39817  26.6283     336.538     74.2718     336.538     
1 1 1 15 8  18 o 99.0404 2.758   49.8781      4.07704  57.8026      4.31599  75.3311     230.43      44.8268     50.4302     
1 1 1 15 8  19 o 37.5213 4.59704 9.28761      2.55532  6.80009      2.53647  21.6345     83.3273     7.02492     83.3273     
1 1 1 15 8  20 o 53.2839 3.66687 14.5128      2.96675  17.0881      2.95526  52.6368     38.6033     11.0647     38.6033     
1 1 1 15 8  21 o 137.331 2.71995 101.835      5.74675  105.112      5.74483  146.437     92.7516     21.0849     92.7516     
1 1 1 15 8  22 o 67.1461 3.00126 23.1757      3.06996  26.6281      3.09433  61.2268     328.515     4.47013     148.515     
1 1 1 15 8  23 o 12.4871 4.13069 -2.37732     1.99697  -1.50817     1.97528  10.7871     2.50132     27.0653     2.50132     
1 1 1 15 8  24 o 40.2589 6.35305 9.49938      4.46917  9.64845      3.20629  27.5803     139.436     14.2458     319.436     
1 1 1 15 8  25 o 98.7768 2.68752 56.7702      4.09527  50.81        4.05747  87.3409     236.05      19.376      56.0496     
1 1 1 15 8  26 o 40.5616 3.9264  10.0738      2.39105  8.62932      2.373    14.4972     296.397     46.8775     116.397     
1 1 1 15 8  27 o 27.7687 4.8316  4.35416      2.05788  4.73775      2.04744  7.64929     217.928     33.3156     37.9281     
1 1 1 15 8  28 o 42.6307 3.571   8.88712      2.2838   11.7847      2.26391  51.0742     44.7598     25.1425     44.7598     
1 1 1 15 8  29 o 64.2311 2.95967 22.1339      2.77478  23.9086      3.04883  58.7495     92.3042     7.37664     272.304     
1 1 1 15 8  30 o 57.1932 3.0484  17.5157      2.57689  19.1525      2.75408  69.6889     327.476     30.3235     327.476     
1 1 1 15 8  31 o 25.5028 5.02642 4.18207      2.00812  3.6317       2.09759  21.0222     218.331     8.65983     218.331     
1 1 1 15 8  32 o 62.5832 2.80062 23.1447      2.66769  20.7321      2.69403  58.9009     291.444     3.31119     111.445     
1 1 1 15 8  33 o 45.4802 3.52667 11.155       2.49835  12.5469      2.33519  49.3184     305.976     13.1435     305.976     
1 1 1 15 8  34 o 21.4623 4.65084 4.7058       1.98042  0.0376119    1.96469  8.36816     228.879     20.322      48.879      
1 1 1 15 8  35 o 14.3349 4.33136 -2.24918     1.89668  1.2523       1.8236   4.79507     357.545     8.31807     177.545     
1 1 1 15 8  36 o 19.7999 4.9155  -0.495522    2.35861  3.63258      1.95878  7.4981      283.778     19.8826     103.778     
1 1 1 15 8  37 o 16.3407 4.51392 -1.66506     1.90661  2.51537      1.88594  4.95747     351.112     16.232      171.112     
1 1 1 15 8  38 o 18.5386 4.80391 -0.156244    1.97804  3.19774      1.97769  11.6159     60.7831     2.79669     240.783     
1 1 1 15 8  39 o 24.42   5.46096 2.4665       2.3847   5.1579       2.39976  22.7621     270.404     9.74208     270.404     
1 1 1 15 8  40 o 26.5839 5.55835 4.27549      2.43974  5.15239      2.44536  26.8049     235.352     13.864      235.352     
1 1 1 15 8  41 o 20.9163 5.33106 2.53958      2.17204  2.9238       2.22197  16.5378     204.289     2.92711     204.289     
1 1 1 15 8  42 o 27.3624 5.46822 2.53108      2.53566  8.01075      2.7325   23.9859     121.19      0.0706437   301.19      
1 1 1 15 8  43 o 15.0834 4.85178 1.12869      2.70089  -2.30376     2.319    7.95309     275.386     4.94172     95.3856     
1 1 1 15 8  44 o 17.0602 5.12551 0.0552302    2.49008  1.99296      2.3329   10.5255     353.982     5.02473     353.982     
1 1 1 15 8  45 o 14.7217 4.66738 -0.519972    2.22042  0.545523     2.18786  7.87844     122.217     1.89367     302.217     
1 1 1 15 8  46 o 17.0577 4.97978 2.66179      2.17928  -0.165346    2.32727  12.1111     298.499     0.206054    298.499     
1 1 1 15 8  47 o 16.6605 4.97796 1.68159      2.21398  1.18325      2.18161  4.47887     61.8217     19.7963     241.822     
1 1 1 15 8  48 o 17.7785 5.19975 3.25968      2.37973  0.274554     2.53639  14.8792     300.505     7.51795     300.505     
1 1 1 15 8  49 o 12.6799 4.26162 -1.25741     2.12891  -1.14497     2.38913  1.74173     285.331     16.3174     105.331     
1 1 1 15 8  50 o 14.4676 4.59863 1.16917      2.1338   -0.34542     2.21183  8.71224     348.085     2.30173     168.085     
1 1 1 15 8  51 o 17.9751 5.20647 3.28985      2.2851   1.45237      2.45099  11.7993     187.296     4.16816     7.29616     
1 1 1 15 8  52 o 18.4779 5.23864 4.35738      2.41513  0.454832     2.56268  11.1068     325.143     0.808755    325.143     
1 1 1 15 8  53 o 25.4788 5.34845 8.55895      2.5138   3.10459      2.72148  26.0704     158.538     16.2423     158.538     
1 1 1 15 8  54 o 11.6212 4.00131 -1.56634     2.22433  -1.87198     2.37857  3.9215      94.804      3.07915     274.804     
1 1 1 15 8  55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 9  0  o 19.2575 6.77634 2.99749      2.43549  2.99749      2.43549  41.9105     270         108.708     270         
1 1 1 15 9  1  o 214.466 2.08017 239.434      6.83647  262.569      6.89485  226.969     342.968     23.4638     342.968     
1 1 1 15 9  2  f 117.048 2.33153 73.4769      4.18848  76.1712      4.20721  113.687     357.34      0           0           
1 1 1 15 9  3  o 84.5093 2.65026 38.3632      3.44661  39.7906      3.43289  63.3421     209.515     35.7601     29.5149     
1 1 1 15 9  4  o 88.7163 2.66079 44.7748      3.75011  41.3705      3.50467  85.9735     311.279     2.72513     311.279     
1 1 1 15 9  5  o 130.835 2.25447 94.3582      4.54639  92.4459      4.53759  92.9259     140.271     74.013      320.271     
1 1 1 15 9  6  o 45.792  4.11889 10.8909      2.97294  12.5005      2.65207  27.9752     295.114     1.52506     115.114     
1 1 1 15 9  7  o 22.0746 5.47705 3.36254      2.37619  1.12787      2.38235  41.3732     106.312     112.637     106.312     
1 1 1 15 9  8  o 77.1229 2.76217 28.2602      3.24736  37.2036      3.24291  53.2506     325.747     40.1965     145.747     
1 1 1 15 9  9  o 93.0356 2.65385 45.7081      3.94625  49.0348      3.61942  71.8111     309.733     36.5538     129.733     
1 1 1 15 9  10 f 168.352 2.39802 153.413      6.48184  156.075      5.93435  203.886     99.1234     0           0           
1 1 1 15 9  11 o 96.7124 2.58137 53.0654      3.97503  49.303       3.70114  131.312     120.276     85.4978     120.276     
1 1 1 15 9  12 o 152.184 2.19806 124.576      5.13796  128.258      5.1637   153.541     17.3961     4.95587     17.3962     
1 1 1 15 9  13 o 179.423 2.29515 173.513      6.3428   178.047      6.33901  192.724     70.9772     27.7763     70.9772     
1 1 1 15 9  14 o 143.533 2.4773  129.994      5.67469  96.4543      5.23583  169.1       57.4896     54.4613     57.4896     
1 1 1 15 9  15 o 76.2958 3.04812 30.5764      3.5818   33.4084      3.54387  100.887     115.118     64.7498     115.118     
1 1 1 15 9  16 o 165.269 2.32662 157.589      5.9547   141.14       5.87808  165.847     77.2998     2.286       77.2997     
1 1 1 15 9  17 o 34.2723 4.88502 5.48293      2.44609  8.0697       2.53348  8.42179     248.792     40.4769     68.7924     
1 1 1 15 9  18 o 53.1327 3.62195 15.6126      2.86609  15.7274      2.98636  22.5908     152.479     54.842      332.479     
1 1 1 15 9  19 o 48.5288 4.24193 13.9264      2.92211  12.516       3.24125  40.5402     356.691     3.95038     176.691     
1 1 1 15 9  20 o 84.697  3.38131 37.4332      4.07524  41.8512      4.71089  59.0946     228.389     46.6312     48.3892     
1 1 1 15 9  21 o 153.808 2.58629 124.88       6.33111  134.739      5.88159  150.179     87.5796     4.22575     267.58      
1 1 1 15 9  22 f 19.1667 5.06676 1.76227      2.03732  1.42445      1.99052  21.3313     201.338     0           0           
1 1 1 15 9  23 o 48.2647 3.61304 11.6098      2.76004  14.5383      2.44007  31.9044     345.513     25.4616     165.513     
1 1 1 15 9  24 o 38.7518 4.44319 8.04694      2.56217  9.18559      2.55061  16.6248     101.262     37.2434     281.262     
1 1 1 15 9  25 o 34.2997 4.63624 4.10767      2.25288  10.0505      2.45158  16.753      356.561     27.5976     176.561     
1 1 1 15 9  26 o 62.0222 3.10741 21.6431      2.68369  21.2032      3.18299  48.9454     89.3985     21.9404     269.399     
1 1 1 15 9  27 o 67.1143 2.85507 27.9147      2.82093  22.2917      2.99785  48.9669     189.474     32.9189     9.47359     
1 1 1 15 9  28 o 55.9902 2.97165 15.7869      2.50158  19.3234      2.57026  53.7081     255.13      0.269911    75.1302     
1 1 1 15 9  29 o 70.6332 2.67063 23.026       2.8445   32.8524      2.87604  72.5346     155.375     7.97066     155.375     
1 1 1 15 9  30 o 51.1041 3.09875 14.134       2.40011  15.27        2.42788  30.7278     295.001     37.0259     115.001     
1 1 1 15 9  31 f 39.7533 3.79852 10.418       2.22099  7.90765      2.26031  42.3512     17.1242     0           0           
1 1 1 15 9  32 o 15.7245 4.48103 -1.30216     1.84541  1.86163      1.81782  3.2617      320.394     12.8118     140.394     
1 1 1 15 9  33 o 31.3719 4.92325 7.04262      2.54032  5.04161      2.10613  23.1647     168.733     10.8824     348.733     
1 1 1 15 9  34 o 27.2021 4.85144 5.04916      2.0502   4.05379      2.02567  24.5443     43.1649     1.20987     43.1649     
1 1 1 15 9  35 o 31.4848 4.63658 9.14536      2.1717   3.32177      2.27499  24.9041     122.654     8.8242      302.654     
1 1 1 15 9  36 o 15.0741 4.55372 -0.394316    1.88653  0.827952     1.90456  6.54463     81.0759     2.59586     261.076     
1 1 1 15 9  37 o 44.8376 3.71321 15.7893      2.44462  8.41288      2.3654   25.2392     83.725      34.9209     263.725     
1 1 1 15 9  38 o 47.8123 3.4057  13.242       2.47909  13.465       2.46724  46.9461     56.0607     3.66096     56.0607     
1 1 1 15 9  39 o 16.3798 4.79695 0.925482     2.00568  0.816548     1.94934  6.74564     254.689     1.90628     74.6888     
1 1 1 15 9  40 f 16.5793 4.94027 1.99413      2.36681  -0.740103    2.07837  5.94636     222.774     0           0           
1 1 1 15 9  41 o 25.9342 6.171   6.38125      3.01945  3.24255      3.03904  23.4519     176.257     3.42833     176.257     
1 1 1 15 9  42 f 12.9278 4.28467 -1.17297     1.94272  -1.45441     2.33971  0.938454    95.5786     0           0           
1 1 1 15 9  43 o 15.1244 4.75557 1.19748      2.23094  -1.57626     2.41259  9.5345      56.9856     0.972815    56.9856     
1 1 1 15 9  44 o 18.9176 5.31792 3.48234      2.35795  0.0599514    2.68482  14.6246     178.305     0.301241    358.305     
1 1 1 15 9  45 o 22.881  5.79325 4.41865      2.43257  3.60834      2.82754  10.5481     248.817     7.57185     248.817     
1 1 1 15 9  46 f 31.1755 5.27394 7.02567      2.4722   7.35122      2.52384  22.8495     255.971     0           0           
1 1 1 15 9  47 o 18.2277 5.18371 0.844982     2.17585  3.49501      2.41503  9.15998     13.9413     13.096      193.941     
1 1 1 15 9  48 o 14.5571 4.69034 -0.251104    2.31871  0.556762     2.33096  8.59153     72.7854     3.91346     252.785     
1 1 1 15 9  49 o 29.9923 5.45391 7.00075      2.40117  7.47758      2.66693  30.3773     0.999561    7.68394     0.999561    
1 1 1 15 9  50 o 13.1213 4.36357 -0.707568    2.19074  -0.581641    2.32504  4.84472     32.3533     0.387056    32.3533     
1 1 1 15 9  51 o 16.227  4.96721 2.2883       2.26052  0.584457     2.41407  7.91914     104.65      6.37912     284.65      
1 1 1 15 9  52 o 17.6383 5.19101 3.23835      2.33718  1.38439      2.45401  8.41245     109.367     1.7875      109.367     
1 1 1 15 9  53 o 19.4128 5.25601 5.51814      2.43148  1.25461      2.42423  15.8039     96.3236     6.57465     96.3236     
1 1 1 15 9  54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 10 0  o 197.593 2.10787 212.926      6.41036  212.926      6.41036  258.241     90          117.738     90          
1 1 1 15 10 1  o 186.798 2.12064 193.043      6.10219  187.707      6.09697  200.924     85.5216     29.8354     85.5216     
1 1 1 15 10 2  o 77.9942 2.78151 34.7772      3.3681   31.8945      3.28978  79.4919     223.215     15.4352     223.215     
1 1 1 15 10 3  o 170.21  2.14926 158.685      5.64693  157.458      5.61974  183.776     32.6186     29.6427     32.6186     
1 1 1 15 10 4  o 104.907 2.45568 68.2779      3.96809  52.542       3.91055  99.2346     144.692     4.90917     324.692     
1 1 1 15 10 5  o 166.552 2.16147 151.722      5.55799  151.002      5.52911  168.272     14.2033     5.88507     14.2033     
1 1 1 15 10 6  o 76.4549 2.80443 33.9974      3.30535  30.1243      3.26823  61.6341     103.253     20.2207     283.253     
1 1 1 15 10 7  o 142.541 2.2263  108.159      4.88862  113.662      4.88232  161.285     336.835     42.1847     336.835     
1 1 1 15 10 8  o 99.7547 2.4849  53.1904      3.82578  55.6528      3.79415  92.2256     76.7766     8.65417     256.777     
1 1 1 15 10 9  o 55.6658 3.49172 17.7256      3.09739  16.5032      2.82731  26.538      274.198     48.5814     94.1979     
1 1 1 15 10 10 o 190.53  2.27649 194.507      6.68385  201.91       6.67237  165.287     142.11      49.5463     322.11      
1 1 1 15 10 11 o 212.154 2.25055 233.95       7.33993  257.834      7.35244  250.042     172.103     77.2358     172.103     
1 1 1 15 10 12 o 116.398 2.56621 73.3121      4.59444  74.9439      4.59319  125.876     64.0729     23.7725     64.0729     
1 1 1 15 10 13 o 42.7566 4.57632 9.33992      2.9184   11.3142      2.89503  11.3786     135.444     54.0487     315.444     
1 1 1 15 10 14 o 103.557 2.64834 62.8741      4.21364  54.7464      4.20393  98.6271     64.338      5.82118     244.338     
1 1 1 15 10 15 o 127.39  2.3573  87.0667      4.76458  90.4397      4.46715  115.774     280.548     20.2215     100.548     
1 1 1 15 10 16 o 141.664 2.28591 105.283      4.85662  114.236      5.11769  151.547     85.7387     23.2039     85.7387     
1 1 1 15 10 17 o 34.8105 5.1231  6.2627       2.64834  7.73188      2.66704  19.6555     251.968     3.88164     71.9684     
1 1 1 15 10 18 o 98.4491 2.75946 56.0132      4.18372  50.5129      4.15902  106.239     343.229     21.6685     343.229     
1 1 1 15 10 19 o 127.409 2.55399 92.1829      5.0166   85.9606      4.9911   113.708     141.262     23.3406     321.262     
1 1 1 15 10 20 o 50.9388 3.81275 11.821       2.88495  17.4754      2.90325  40.2295     341.048     29.8209     341.048     
1 1 1 15 10 21 f 26.9184 4.92367 6.19584      2.19752  2.18364      2.16498  7.11703     321.979     0           0           
1 1 1 15 10 22 o 61.5982 3.22499 20.4116      2.72854  21.7223      3.33038  59.4199     173.627     2.94571     173.627     
1 1 1 15 10 23 o 119.157 3.17064 76.0376      4.65895  81.2148      6.80872  131.241     44.8505     28.8862     44.8505     
1 1 1 15 10 24 o 30.0788 5.77091 5.12792      2.48061  5.64175      3.00474  19.6801     111.063     8.12697     291.063     
1 1 1 15 10 25 o 78.157  2.65979 32.5839      3.19132  35.0083      3.18879  86.0107     306.815     20.6095     306.815     
1 1 1 15 10 26 o 50.2204 3.2869  15.595       2.42465  12.7913      2.56021  42.9269     160.053     10.1091     340.053     
1 1 1 15 10 27 o 47.9466 3.3788  13.2201      2.4175   12.7223      2.50161  53.7572     259.168     17.6956     259.168     
1 1 1 15 10 28 o 43.6856 3.661   14.575       2.32705  7.70082      2.28533  58.2891     269.004     40.6272     269.004     
1 1 1 15 10 29 o 36.607  3.98718 9.27182      2.16581  6.39451      2.13242  22.2532     157.442     23.9033     337.442     
1 1 1 15 10 30 o 19.0682 5.01088 0.0144615    2.36016  2.72342      1.90175  7.73107     60.0859     12.0179     240.086     
1 1 1 15 10 31 o 20.0021 4.86793 0.832144     1.93516  3.26893      1.91206  5.1961      122.827     22.5793     302.827     
1 1 1 15 10 32 o 46.4169 3.5191  11.5317      2.35391  13.2114      2.60035  45.8315     294.06      3.99004     294.06      
1 1 1 15 10 33 o 54.387  3.32572 18.9535      2.92102  14.9411      2.59395  41.4122     126.134     21.725      306.134     
1 1 1 15 10 34 o 15.9523 4.67976 0.454475     1.88523  0.834014     1.89316  6.85886     134.903     11.4838     314.903     
1 1 1 15 10 35 o 24.7843 5.07401 3.85038      2.06685  3.87564      2.02773  15.3398     128.834     13.5865     308.834     
1 1 1 15 10 36 o 37.2513 4.09507 8.47993      2.25243  8.21218      2.29157  38.8812     177.638     9.32367     177.638     
1 1 1 15 10 37 o 47.6832 3.52012 13.0384      2.59984  13.6415      2.48663  43.3706     245.344     3.22367     65.3443     
1 1 1 15 10 38 f 14.5539 4.51785 -0.567964    1.98082  0.394065     1.942    9.5549      172.074     0           0           
1 1 1 15 10 39 o 15.8732 4.72675 1.25768      1.9914   -0.0404552   2.0016   0.358307    211.057     24.6219     31.0574     
1 1 1 15 10 40 o 12.9563 4.30874 -3.07028     2.22335  -0.607325    2.25218  0.401859    133.731     19.0754     133.731     
1 1 1 15 10 41 o 33.8118 4.69997 7.82823      2.36011  7.17332      2.35883  29.7622     346.74      2.36166     166.74      
1 1 1 15 10 42 o 15.7416 4.97959 -1.22004     2.71093  1.01271      2.39098  7.7195      211.505     9.16501     31.5045     
1 1 1 15 10 43 o 23.4189 5.65755 7.61053      3.06562  -1.27052     3.13184  24.2142     152.56      11.6357     152.56      
1 1 1 15 10 44 o 16.876  4.85378 2.86998      2.12481  -0.878609    2.23986  11.3114     214.745     1.05735     214.745     
1 1 1 15 10 45 o 25.3628 5.69789 4.55493      2.50454  5.5851       2.52224  21.0178     6.06738     2.25737     186.067     
1 1 1 15 10 46 o 14.1399 4.56064 -0.289783    2.18618  0.112007     2.21553  8.98488     354.799     2.79166     354.799     
1 1 1 15 10 47 o 31.4738 5.12075 5.62456      2.4491   9.48163      2.50237  29.0209     21.1539     1.14053     21.1539     
1 1 1 15 10 48 o 15.9004 4.97745 0.0779173    2.37771  1.89964      2.49196  10.9162     245.078     0.574832    65.0785     
1 1 1 15 10 49 o 14.3983 4.66218 0.147325     2.2262   0.380814     2.42647  5.33884     120.113     1.68891     120.113     
1 1 1 15 10 50 o 17.7053 5.01167 -0.169786    2.31395  4.10581      2.29475  11.8331     262.226     1.91261     82.2262     
1 1 1 15 10 51 o 18.032  5.2515  2.6462       2.36838  2.48929      2.33652  9.79737     90.381      4.0815      270.381     
1 1 1 15 10 52 o 15.2657 4.82803 1.5108       2.33594  0.958775     2.32512  5.78331     111.984     0.357652    111.984     
1 1 1 15 10 53 o 15.5311 4.91809 1.84222      2.42288  1.35409      2.42913  8.22622     136.735     7.4562      316.735     
1 1 1 15 10 54 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 11 0  o 104.866 2.46148 60.1615      3.9649   60.1615      3.9649   119.859     270         29.1034     270         
1 1 1 15 11 1  o 18.3981 5.39822 0.914517     2.61869  0.0276214    2.41564  24.4973     249.945     64.9647     249.945     
1 1 1 15 11 2  o 53.2705 3.64028 18.2632      2.90882  13.329       2.92073  17.8503     84.5687     61.1719     264.569     
1 1 1 15 11 3  o 120.036 2.3498  80.0225      4.33638  77.4537      4.34117  117.861     42.4255     1.09782     42.4251     
1 1 1 15 11 4  o 124.16  2.31548 84.3536      4.4233   84.0959      4.42304  120.579     310.57      2.14348     130.57      
1 1 1 15 11 5  o 51.5469 3.70155 16.3191      2.90987  13.2017      2.86076  43.139      74.6232     3.13098     74.6232     
1 1 1 15 11 6  o 118.561 2.45176 80.3743      4.32671  73.398       4.59267  97.0179     352.391     38.7923     172.391     
1 1 1 15 11 7  o 34.0042 5.21487 5.99818      2.65955  7.28092      2.6483   8.40697     83.4476     30.6406     263.448     
1 1 1 15 11 8  o 67.8768 3.31665 26.0749      3.48081  24.6618      3.40941  47.1736     158.894     33.8151     338.894     
1 1 1 15 11 9  o 93.4505 2.80694 50.8113      4.07218  44.9982      3.98157  81.9884     25.5382     17.3245     205.538     
1 1 1 15 11 10 f 38.8073 5.15091 5.18687      2.94252  12.5844      2.89977  35.5837     77.233      0           0           
1 1 1 15 11 11 o 133.04  2.44714 101.42       5.05008  92.2652      4.96698  147.829     160.613     33.7556     160.613     
1 1 1 15 11 12 o 78.1754 2.8957  36.6894      3.35806  30.5727      3.54581  81.5997     61.3947     14.2843     61.3947     
1 1 1 15 11 13 o 61.9278 3.13349 18.582       2.94721  23.8632      2.95168  50.8127     128.794     14.3273     308.794     
1 1 1 15 11 14 o 109.453 2.3949  63.5171      4.04508  67.6941      4.01396  104.032     344.989     5.99528     164.989     
1 1 1 15 11 15 o 44.7163 4.26521 11.2198      2.85775  11.2784      2.86648  31.5948     88.6806     13.9398     268.681     
1 1 1 15 11 16 o 34.8331 5.12372 8.12271      2.68757  5.94926      2.63491  15.4652     130.699     22.7277     310.699     
1 1 1 15 11 17 o 66.6006 3.44763 26.471       3.70453  22.742       3.32152  58.6429     322.372     7.55542     142.372     
1 1 1 15 11 18 o 89.8441 3.01112 48.3319      4.4      40.8089      3.91269  102.896     111.19      33.8385     111.19      
1 1 1 15 11 19 f 24.8394 5.72306 4.61278      2.45836  1.71864      2.85003  26.1643     142.269     0           0           
1 1 1 15 11 20 o 84.6702 2.87981 37.3527      3.7436   41.8046      3.73389  65.1039     237.776     34.0024     57.7761     
1 1 1 15 11 21 o 56.4467 3.03914 15.8214      2.59914  19.64        2.62096  68.4281     149.186     35.7865     149.186     
1 1 1 15 11 22 o 60.9057 3.08689 21.6165      3.05996  19.6265      2.69263  67.6893     301.202     21.2584     301.202     
1 1 1 15 11 23 o 88.3944 2.78392 45.6593      3.81651  40.8501      3.73815  90.8019     143.777     9.89761     143.777     
1 1 1 15 11 24 o 21.0798 5.14088 1.25737      1.98213  3.35819      2.18332  5.87826     77.9133     19.838      257.913     
1 1 1 15 11 25 o 51.3579 3.19249 13.1308      2.43603  16.5506      2.54557  40.0086     157.431     18.2215     337.431     
1 1 1 15 11 26 o 32.3845 4.64768 4.66868      2.24904  7.86202      2.22774  28.1015     323.964     1.02403     143.964     
1 1 1 15 11 27 o 28.6337 5.20291 4.12394      2.46423  5.74701      2.20556  25.0054     231.382     2.58581     231.382     
1 1 1 15 11 28 o 25.6461 5.11142 3.20233      2.03266  4.75237      2.21185  7.8195      307.858     29.8657     127.858     
1 1 1 15 11 29 o 47.5933 3.31056 12.3513      2.39957  13.3875      2.38569  53.2571     217.368     17.5906     217.368     
1 1 1 15 11 30 o 16.5921 4.67771 1.72389      1.84708  -0.112831    1.88044  1.92796     276.702     20.507      96.7024     
1 1 1 15 11 31 o 71.277  2.65407 28.3348      2.88248  28.4991      2.92309  74.3324     295.998     11.509      295.998     
1 1 1 15 11 32 f 22.7541 5.05176 3.79967      2.01271  2.40414      1.98715  20.0161     7.55782     0           0           
1 1 1 15 11 33 o 16.5426 4.7865  1.22774      2.01158  0.454602     1.87757  9.4487      308.691     5.94658     128.691     
1 1 1 15 11 34 o 52.747  3.189   14.8028      2.54729  17.179       2.57243  54.6419     237.934     9.01637     237.934     
1 1 1 15 11 35 o 39.5951 3.93945 9.63606      2.34514  9.06503      2.32465  36.8786     15.0547     0.14759     15.0549     
1 1 1 15 11 36 o 30.9898 4.87835 5.64839      2.22021  6.54708      2.3191   28.4197     238.054     1.74639     238.054     
1 1 1 15 11 37 o 17.6835 4.95177 1.67489      2.01665  1.14911      1.99657  5.66366     84.0922     16.354      264.092     
1 1 1 15 11 38 o 34.5972 4.92246 7.91596      2.53749  7.46313      2.52561  30.6683     148.728     1.3838      328.728     
1 1 1 15 11 39 o 24.809  5.70938 3.41452      2.55559  5.06605      2.52355  22.2331     117.791     3.96884     117.791     
1 1 1 15 11 40 o 23.0569 5.37884 2.8876       2.26663  4.40895      2.241    9.55404     144.647     21.6014     324.647     
1 1 1 15 11 41 o 46.7168 3.82519 12.5857      2.76149  14.5235      2.59993  56.2804     315.608     25.7999     315.608     
1 1 1 15 11 42 o 15.8226 4.90156 2.17495      2.4795   -2.47664     2.45455  10.486      286.212     0.217156    286.212     
1 1 1 15 11 43 o 32.8734 5.72782 8.57415      2.64586  7.60444      3.16275  28.9773     257.145     1.2858      77.1446     
1 1 1 15 11 44 o 22.99   5.88876 4.36572      2.68471  4.05144      2.68408  17.8661     168.274     3.21038     348.274     
1 1 1 15 11 45 o 28.298  5.34095 8.39041      2.46854  4.02577      2.62831  28.2506     212.471     6.29269     212.471     
1 1 1 15 11 46 o 16.8963 5.0474  2.70164      2.31973  0.119683     2.38031  13.1355     298.751     0.696504    298.751     
1 1 1 15 11 47 o 17.663  5.1499  1.05761      2.36282  2.98555      2.29367  11.9565     280.978     4.17133     100.978     
1 1 1 15 11 48 o 19.1847 5.51418 2.77153      2.58166  3.25138      2.53179  11.3166     285.873     9.32273     105.873     
1 1 1 15 11 49 o 18.0031 5.27111 2.07568      2.2894   2.90988      2.48633  12.0762     7.76203     3.31579     187.762     
1 1 1 15 11 50 o 16.5049 4.974   -0.109457    2.356    3.04584      2.33516  6.59481     156.154     0.0050176   336.149     
1 1 1 15 11 51 o 13.3947 4.44622 0.0375971    2.38832  -0.705018    2.26168  3.60757     92.2158     3.815       272.216     
1 1 1 15 11 52 o 12.6752 4.25385 -0.0168794   2.15055  -1.12888     2.37057  4.69354     52.4709     1.92289     232.471     
1 1 1 15 11 53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 12 0  o 48.6834 4.00677 13.4781      2.89769  13.4781      2.89769  20.9195     90          55.0693     270         
1 1 1 15 12 1  o 217.557 2.17145 255.556      7.5211   261.32       7.01288  227.885     44.2359     23.9684     44.2359     
1 1 1 15 12 2  o 164.93  2.3262  147.271      6.2467   149.915      5.54115  200.741     27.0533     76.6698     27.0533     
1 1 1 15 12 3  o 104.785 2.47702 56.7489      3.97535  63.4927      3.9988   119.243     37.3949     36.1116     37.3949     
1 1 1 15 12 4  o 50.6993 4.1586  12.4581      3.17204  16.3351      3.13791  37.0342     118.851     15.7799     298.851     
1 1 1 15 12 5  o 120.676 2.53567 80.6667      4.72415  78.7078      4.68914  130.688     38.782      25.5584     38.782      
1 1 1 15 12 6  f 87.972  2.89265 39.0688      3.92688  45.989       3.86273  76.9112     226.712     0           0           
1 1 1 15 12 7  o 28.9554 5.90226 4.17445      2.83727  5.35936      2.74523  21.0799     152.754     92.0526     152.754     
1 1 1 15 12 8  o 190.008 2.29055 198.409      6.72213  196.174      6.68179  216.703     161.195     57.5423     161.195     
1 1 1 15 12 9  f 126.884 2.48862 91.1754      4.89965  85.1168      4.81408  91.2199     343.131     0           0           
1 1 1 15 12 10 o 113.7   2.38496 69.0902      4.1739   72.439       4.1663   115.257     46.3202     8.63722     46.3203     
1 1 1 15 12 11 o 74.969  2.88469 31.2143      3.43301  30.5809      3.20018  77.786      21.4476     14.2987     21.4476     
1 1 1 15 12 12 o 30.0385 5.13594 7.66998      2.53281  2.89129      2.37709  6.06803     206.425     31.1205     26.4248     
1 1 1 15 12 13 o 70.2646 3.30877 27.503       3.71266  27.0339      3.40187  51.8965     92.9703     29.6256     272.97      
1 1 1 15 12 14 o 53.3975 3.82737 16.7089      3.20914  15.1162      2.99927  30.7515     287.186     36.7757     107.186     
1 1 1 15 12 15 o 26.8075 5.89735 2.47265      2.57068  5.60306      2.96288  3.13397     166.213     25.4805     346.213     
1 1 1 15 12 16 o 83.4919 3.13123 37.7176      4.03998  39.256       3.97995  73.8765     94.5136     12.5245     274.514     
1 1 1 15 12 17 o 77.1466 2.79986 34.0186      3.32899  31.6007      3.29858  84.4209     348.237     22.8581     348.237     
1 1 1 15 12 18 o 85.8466 2.65947 41.0359      3.51146  40.1184      3.50255  99.5835     333.762     35.1878     333.762     
1 1 1 15 12 19 o 59.7968 3.12589 20.9429      2.86416  18.7814      2.84569  57.5639     320.257     3.32279     320.257     
1 1 1 15 12 20 o 16.4485 4.76927 1.21937      1.96781  -0.242029    1.96536  3.19331     121.676     18.3013     121.676     
1 1 1 15 12 21 o 43.1853 3.65903 11.2422      2.45053  9.84396      2.3176   31.9222     107.756     15.6106     287.756     
1 1 1 15 12 22 f 15.4918 4.67824 -1.79437     2.29684  0.98412      1.90571  3.29135     145.145     0           0           
1 1 1 15 12 23 o 21.0529 5.81123 1.50278      3.41821  1.95059      2.09802  10.2539     265.352     3.08882     85.3522     
1 1 1 15 12 24 o 28.8767 4.97907 7.3505       2.30797  2.66385      2.33239  8.49966     204.365     35.3335     24.3652     
1 1 1 15 12 25 o 84.7986 2.54821 39.7384      3.262    39.9779      3.37702  92.586      258.085     21.1292     258.085     
1 1 1 15 12 26 o 35.326  4.15779 7.16567      2.17989  7.38861      2.18443  36.1608     150.164     9.84632     150.164     
1 1 1 15 12 27 o 19.5961 4.97735 1.88815      1.88666  2.10689      1.93798  9.76493     233.33      4.10427     53.3301     
1 1 1 15 12 28 o 20.0055 4.9078  3.0343       1.91427  1.17488      1.90585  7.61963     93.2666     16.0705     273.267     
1 1 1 15 12 29 o 90.3096 2.4371  45.2705      3.36587  45.4315      3.40005  95.7704     295.392     17.2805     295.392     
1 1 1 15 12 30 o 92.4586 2.54172 57.3249      3.46378  38.8814      3.61816  102.62      308.934     26.9245     308.934     
1 1 1 15 12 31 o 49.7983 3.40598 15.596       2.48206  12.9056      2.63252  56.0984     180.664     18.1983     180.664     
1 1 1 15 12 32 o 24.0273 5.33991 4.32273      2.2286   2.7828       2.2441   20.9167     161.115     0.800296    161.115     
1 1 1 15 12 33 o 14.0266 4.39645 -0.635191    1.93799  -0.0121431   1.84885  4.63816     196.356     6.13134     16.3556     
1 1 1 15 12 34 o 44.4141 3.61209 11.0664      2.44886  12.1136      2.39245  40.4125     41.9929     2.31868     221.993     
1 1 1 15 12 35 o 44.0083 3.67892 9.71673      2.42496  13.3035      2.39143  55.3835     247.783     30.6816     247.783     
1 1 1 15 12 36 o 31.4929 4.75549 5.483        2.23101  7.08625      2.24702  26.6446     67.8423     2.96319     247.842     
1 1 1 15 12 37 o 43.9814 4.12749 11.1844      2.73281  12.4404      2.70907  36.7788     176.615     8.2834      356.615     
1 1 1 15 12 38 o 16.9694 5.03367 1.94458      2.2991   -0.286967    2.27068  4.67711     208.714     17.4843     28.7144     
1 1 1 15 12 39 o 19.5062 5.26411 2.26964      2.17419  2.34948      2.22187  12.6206     210.164     5.8315      30.1636     
1 1 1 15 12 40 o 14.021  4.49108 0.0762262    2.06628  -0.838599    2.1333   6.83529     338.259     2.14325     158.259     
1 1 1 15 12 41 o 13.5844 4.47105 -0.486374    2.42497  -1.41245     2.09366  5.79499     25.7292     7.44662     205.729     
1 1 1 15 12 42 o 17.9745 5.22467 2.85431      2.39417  0.295897     2.43944  9.1614      70.1625     10.7886     250.162     
1 1 1 15 12 43 o 16.6821 4.95904 -0.0122596   2.12528  2.44033      2.31605  10.8832     156.022     2.08444     336.022     
1 1 1 15 12 44 o 32.8232 5.18892 5.5755       2.71997  10.6417      2.54511  23.7293     341.033     12.4744     161.033     
1 1 1 15 12 45 o 21.8928 5.5024  0.361204     2.65551  6.70543      2.77972  18.109      243.778     1.01488     63.7781     
1 1 1 15 12 46 o 20.2381 5.52025 4.20699      2.37518  2.22535      2.71933  14.4668     338.372     4.71752     158.372     
1 1 1 15 12 47 o 23.1763 5.24436 7.02121      2.45222  1.621        2.45411  22.0234     49.6551     5.56445     49.6551     
1 1 1 15 12 48 o 18.2646 5.41696 0.861822     2.53382  4.09949      2.76291  11.2832     359.544     6.56889     179.544     
1 1 1 15 12 49 o 16.1308 5.09212 1.22729      2.6034   1.39079      2.551    1.56302     122.981     0.252222    122.981     
1 1 1 15 12 50 o 13.823  4.51448 0.813737     2.23916  -0.897866    2.3236   1.62676     123.81      0.900324    303.81      
1 1 1 15 12 51 o 13.9398 4.55232 -0.20399     2.3201   1.05185      2.28521  5.77384     163.779     0.955193    343.779     
1 1 1 15 12 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 13 0  o 57.8449 4.06603 18.8581      3.53361  18.8581      3.53361  72.6736     90          32.4343     90          
1 1 1 15 13 1  o 103.762 2.89411 56.5066      4.62462  61.6996      4.59761  123.154     309.149     46.6648     309.149     
1 1 1 15 13 2  o 32.3103 5.72745 6.08934      2.85966  6.00537      2.8282   0.423786    194.561     54.3931     194.561     
1 1 1 15 13 3  o 213.105 2.25059 245.209      7.389    251.217      7.38107  234.498     244.195     48.3486     244.195     
1 1 1 15 13 4  o 118.303 2.53843 70.414       4.60799  83.1441      4.60529  109.482     109.097     11.9009     289.097     
1 1 1 15 13 5  o 94.5273 2.76469 46.181       4.02316  51.953       3.99551  100.495     160.265     19.4866     160.265     
1 1 1 15 13 6  o 53.4037 3.84478 17.5121      3.15057  14.3099      3.06482  12.4521     201.419     75.2245     21.4193     
1 1 1 15 13 7  o 79.7366 2.87342 39.8896      3.37528  30.3241      3.57401  57.9126     306.743     37.077      126.743     
1 1 1 15 13 8  o 31.8368 5.34437 6.81395      2.69228  4.98246      2.48836  12.7275     244.926     6.40459     64.9264     
1 1 1 15 13 9  o 65.3294 3.22556 22.8403      3.23372  24.3076      3.21195  46.8624     316.861     29.0038     136.861     
1 1 1 15 13 10 o 16.0733 4.96898 0.883143     2.50524  -3.05879     2.44914  15.5398     118.505     43.8565     118.505     
1 1 1 15 13 11 o 133.419 3.00753 100.957      5.73419  94.8877      6.54896  144.6       49.1038     29.4632     49.1038     
1 1 1 15 13 12 o 18.5333 5.4691  0.433483     2.61966  0.546291     2.5783   12.3488     176.078     42.3848     176.078     
1 1 1 15 13 13 o 21.5663 5.51487 0.0971778    2.55379  3.62716      2.50006  3.42792     44.3723     26.5722     44.3723     
1 1 1 15 13 14 o 19.3643 5.58681 -0.976444    3.05133  1.90813      2.47877  6.57025     204.467     30.8406     204.467     
1 1 1 15 13 15 o 52.1681 3.66136 16.1935      2.87644  14.2581      2.91441  58.5119     57.4183     41.0824     57.4183     
1 1 1 15 13 16 o 85.6911 2.84887 38.891       3.72703  42.169       3.76707  86.2856     97.608      8.2564      97.608      
1 1 1 15 13 17 o 57.8483 3.33926 22.3335      3.00481  15.2793      2.83453  60.1038     75.9699     13.4983     75.9699     
1 1 1 15 13 18 o 32.5351 4.65103 3.39841      2.27633  9.33548      2.26942  17.9686     109.274     19.2174     289.274     
1 1 1 15 13 19 o 74.2921 3.24961 34.4352      3.93816  27.2333      3.46266  70.9037     204.574     0.614295    24.5741     
1 1 1 15 13 20 o 45.0853 4.52901 10.6075      3.38101  12.8368      2.5259   37.9801     142.132     7.4065      322.132     
1 1 1 15 13 21 o 77.777  2.88118 33.5086      3.65179  33.7008      3.20824  88.6976     207.473     27.7888     207.473     
1 1 1 15 13 22 o 48.2018 3.7538  14.7328      2.73478  11.7555      2.71354  35.6044     211.969     19.9971     31.9693     
1 1 1 15 13 23 o 24.827  4.99369 6.20084      2.35201  0.650062     2.24509  17.9161     245.253     2.52625     65.2529     
1 1 1 15 13 24 o 52.0183 3.18693 13.7784      2.47212  16.7614      2.57158  53.292      288.582     8.67368     288.582     
1 1 1 15 13 25 o 19.2302 4.94307 2.2554       1.91329  1.44662      1.89708  8.70642     234.888     6.64561     54.8885     
1 1 1 15 13 26 o 21.0494 5.11845 3.25574      2.15422  1.65921      1.91513  4.32815     223.861     26.4574     43.8609     
1 1 1 15 13 27 o 94.4499 2.60392 47.8377      4.05746  51.6207      3.44537  93.8749     79.5617     5.70673     79.5617     
1 1 1 15 13 28 o 62.814  2.94545 22.761       2.92644  21.6734      2.73953  62.0905     73.2443     4.53782     73.2443     
1 1 1 15 13 29 o 32.2202 4.51333 6.08561      2.17033  6.41611      2.14946  29.55       333.459     1.10617     333.458     
1 1 1 15 13 30 o 37.365  4.2044  6.51001      2.3033   10.2601      2.27927  30.1857     290.616     9.36576     110.616     
1 1 1 15 13 31 o 49.0089 3.30748 12.9314      2.45138  14.7372      2.47166  51.1426     306.85      9.86619     306.85      
1 1 1 15 13 32 o 55.1585 3.08255 17.236       2.59906  17.617       2.59456  70.9855     211.011     38.7785     211.011     
1 1 1 15 13 33 o 20.1856 5.03672 3.50808      2.09117  1.02857      1.99702  14.4057     12.1045     2.33462     12.1045     
1 1 1 15 13 34 o 43.6386 3.82177 11.9796      2.48845  10.7048      2.52583  40.5358     9.95068     0.169248    9.95073     
1 1 1 15 13 35 o 30.2057 4.95416 6.68597      2.23047  5.04017      2.31053  23.7719     28.9217     5.97113     208.922     
1 1 1 15 13 36 o 26.2039 5.72976 6.81352      2.94172  2.71939      2.33878  18.9821     349.732     6.9926      169.732     
1 1 1 15 13 37 o 31.0697 5.30816 5.20098      2.56141  7.94286      2.53008  32.0634     126.25      10.3068     126.25      
1 1 1 15 13 38 o 17.3923 4.91078 -0.705745    2.15212  2.91504      2.17658  9.57461     145.129     7.3698      325.129     
1 1 1 15 13 39 f 46.4068 4.14565 13.9566      2.89003  13.3498      2.90077  47.4592     81.6625     0           0           
1 1 1 15 13 40 o 21.7801 5.44156 3.82358      2.2769   2.9063       2.30681  14.4928     82.4108     8.39307     262.411     
1 1 1 15 13 41 o 19.9257 5.5356  3.04593      2.49029  2.25543      2.49779  14.8784     224.98      1.55404     44.9805     
1 1 1 15 13 42 o 24.4732 5.6429  4.17535      2.3386   5.15683      2.55161  25.5478     125.012     15.1486     125.012     
1 1 1 15 13 43 f 32.985  5.18998 7.70662      2.47652  8.32135      2.66034  32.7229     135.58      0           0           
1 1 1 15 13 44 o 20.0931 5.27532 4.47958      2.3137   1.41266      2.31936  16.7162     309.965     0.250813    309.965     
1 1 1 15 13 45 o 15.5961 4.87294 1.30754      2.31315  0.525909     2.29856  10.4553     105.35      2.21835     105.35      
1 1 1 15 13 46 o 13.5777 4.57848 -1.29838     2.74407  -1.05295     2.57457  6.85321     162.322     1.11037     342.322     
1 1 1 15 13 47 o 16.2856 5.11235 0.600429     2.50681  2.08683      2.63749  10.8438     92.1581     1.55418     272.158     
1 1 1 15 13 48 o 14.738  4.73695 1.9528       2.41883  -1.94017     2.54615  5.77962     282.506     4.92546     102.506     
1 1 1 15 13 49 o 14.3648 4.64035 1.44228      2.28048  -1.22319     2.46416  2.69244     84.5943     1.36811     264.594     
1 1 1 15 13 50 o 14.9698 4.83656 1.20896      2.40791  0.828498     2.58023  7.42006     11.4557     3.09456     191.456     
1 1 1 15 13 51 o 18.4743 5.36463 3.19758      2.44208  3.44639      2.45044  15.9862     77.7193     5.32838     77.7193     
1 1 1 15 14 0  o 59.1693 3.89976 19.6834      3.47826  19.6834      3.47826  51.6051     90          13.5174     270         
1 1 1 15 14 1  o 98.3008 2.89197 52.903       4.36534  53.3239      4.3708   95.6955     214.172     2.71266     214.172     
1 1 1 15 14 2  o 80.4693 3.19305 34.9482      3.96076  36.4673      3.91821  95.2208     127.887     41.0884     127.887     
1 1 1 15 14 3  o 60.7737 3.75443 19.5439      3.48273  21.5389      3.46562  33.1842     140.533     47.1565     320.533     
1 1 1 15 14 4  o 34.7387 5.25529 8.21595      2.73161  5.82325      2.73216  17.9737     336.057     10.8837     156.057     
1 1 1 15 14 5  o 136.189 2.4158  101.139      5.04404  102.128      5.08064  129.805     247.591     5.41496     67.5905     
1 1 1 15 14 6  o 101.186 2.83148 56.8608      4.71298  55.7189      4.0753   104.292     27.0502     14.5963     27.0502     
1 1 1 15 14 7  o 32.8261 5.91326 7.84016      2.87419  4.68845      3.2585   14.435      189.785     14.6862     9.7854      
1 1 1 15 14 8  o 60.7366 3.80913 20.7245      3.52843  20.3904      3.52278  64.7536     303.083     21.2609     303.083     
1 1 1 15 14 9  o 110.504 3.11635 69.9833      5.02435  64.7159      5.52092  117.922     72.3623     22.9362     72.3623     
1 1 1 15 14 10 o 43.3798 4.81613 13.4076      3.04969  8.38347      3.05157  31.8498     325.342     10.3241     145.342     
1 1 1 15 14 11 o 17.9779 5.29309 1.28376      2.48842  -0.543912    2.45052  8.94322     285.344     34.5334     285.344     
1 1 1 15 14 12 o 24.2704 5.2834  5.6773       2.53937  0.240342     2.41351  1.86813     249.434     27.4219     69.4341     
1 1 1 15 14 13 o 78.738  2.98148 37.7644      3.59708  30.9373      3.57954  85.3294     106.813     21.6174     106.813     
1 1 1 15 14 14 o 59.1083 3.67104 16.6011      3.35942  22.718       3.13739  38.2773     258.389     34.8789     78.3894     
1 1 1 15 14 15 o 37.4001 4.6223  6.61916      2.53499  9.66883      2.55549  32.0297     39.4669     2.20073     39.4669     
1 1 1 15 14 16 f 38.3652 4.77101 6.52861      2.83926  10.7492      2.44082  53.2848     149.175     0           0           
1 1 1 15 14 17 o 79.1812 2.66465 36.7726      3.14942  32.6164      3.30838  75.159      57.2508     1.63854     237.251     
1 1 1 15 14 18 o 49.9967 3.66687 14.8394      2.78929  13.4083      2.76926  55.9873     36.7896     20.104      36.7896     
1 1 1 15 14 19 o 29.1857 5.20576 5.25692      2.38911  4.93267      2.28937  26.6096     17.34       7.9617      17.34       
1 1 1 15 14 20 o 33.4353 4.72162 8.48331      2.34032  4.8878       2.3446   28.8334     285.668     1.16798     105.668     
1 1 1 15 14 21 o 19.5453 5.17516 1.13232      2.19922  2.30411      2.06593  8.25414     306.331     7.89738     126.331     
1 1 1 15 14 22 o 61.9151 3.47882 21.9472      3.30501  21.3839      3.27395  64.5885     117.834     11.7938     117.834     
1 1 1 15 14 23 o 15.2164 4.62727 0.403734     1.82553  -0.399126    2.11965  0.669132    130.34      16.3191     310.34      
1 1 1 15 14 24 o 54.3418 3.14043 18.6659      2.66064  14.7769      2.53326  58.0081     124.724     14.0034     124.724     
1 1 1 15 14 25 o 46.9868 3.37574 12.1152      2.45386  13.043       2.35398  37.0721     211.52      14.0359     31.5196     
1 1 1 15 14 26 o 20.3609 4.96847 2.40109      1.89236  2.22143      1.891    2.10517     60.7258     39.2703     60.7258     
1 1 1 15 14 27 f 32.0099 4.47947 5.67443      2.139    6.63742      2.11851  15.5343     287.733     0           0           
1 1 1 15 14 28 o 15.5033 4.57595 0.793626     1.80278  0.197539     1.85276  5.88319     21.8746     9.54685     201.875     
1 1 1 15 14 29 o 20.7636 5.05251 3.12603      1.9858   1.77948      1.99125  6.11704     150.401     24.338      330.401     
1 1 1 15 14 30 f 42.7617 3.88622 12.0819      2.68231  9.57951      2.3208   32.8442     330.285     0           0           
1 1 1 15 14 31 o 14.7331 4.5253  0.969837     2.06186  -1.1468      1.84605  4.87841     195.388     4.6535      15.3876     
1 1 1 15 14 32 o 27.4053 4.99013 3.17181      2.23049  6.47621      2.18061  24.414      150.42      2.26762     150.42      
1 1 1 15 14 33 o 25.9653 5.18685 5.48381      2.2449   3.27207      2.17701  15.0202     243.512     15.2392     63.5122     
1 1 1 15 14 34 o 30.3303 5.18817 7.96698      2.47359  4.17151      2.45512  33.2143     54.8467     17.3391     54.8467     
1 1 1 15 14 35 o 17.342  5.06728 0.586805     2.23637  1.64909      2.20245  8.00363     44.3525     0.436591    44.3525     
1 1 1 15 14 36 o 16.3562 4.91603 1.26529      2.23894  0.287309     2.1015   5.87672     100.819     0.606554    100.819     
1 1 1 15 14 37 o 13.3342 4.31071 -0.00164303  1.98926  -1.49749     2.02156  4.40893     277.431     3.47209     97.4313     
1 1 1 15 14 38 o 40.3093 4.87765 12.5851      2.79691  9.26304      2.96076  36.7667     205.502     0.538727    25.5025     
1 1 1 15 14 39 o 19.6533 5.33088 2.13426      2.2501   2.88999      2.28924  17.0139     188.881     7.11438     188.881     
1 1 1 15 14 40 o 17.2094 5.17993 1.17326      2.39945  1.48485      2.41549  11.2669     135.713     1.21403     315.713     
1 1 1 15 14 41 o 22.0975 5.91058 4.35811      2.65528  3.20672      2.94755  17.3559     111.872     1.51067     291.872     
1 1 1 15 14 42 o 15.4363 4.69923 -1.87043     2.31453  2.32906      2.15178  9.94187     14.0742     3.41169     194.074     
1 1 1 15 14 43 o 15.3556 4.81273 0.468495     2.30049  0.935284     2.22799  6.57704     317.45      3.24363     317.45      
1 1 1 15 14 44 o 33.3671 5.22707 9.91863      2.56755  7.20508      2.69566  33.569      172.19      7.88051     172.19      
1 1 1 15 14 45 o 14.8473 4.72843 0.549969     2.25354  0.568274     2.29775  9.06348     93.9804     0.288287    93.9804     
1 1 1 15 14 46 o 19.7738 5.48379 2.9427       2.40197  3.72305      2.47696  17.5214     225.447     7.34867     225.447     
1 1 1 15 14 47 o 20.6004 5.61325 1.81827      2.62605  5.57952      2.7182   15.5549     288.04      1.54246     288.04      
1 1 1 15 14 48 o 21.8169 6.0552  3.88064      2.97097  5.74797      3.03744  16.1199     112.698     1.04002     112.698     
1 1 1 15 14 49 o 11.7872 4.09138 -3.19244     2.21234  -1.01536     2.72192  0.667535    74.6226     0.751723    254.623     
1 1 1 15 14 50 f 16.4132 5.05409 3.0053       2.38583  1.08904      2.52561  8.43606     201.452     0           0           
1 1 1 15 15 0  o 9.76559 4.71307 -1.29963     2.20559  -1.29963     2.20559  30.8746     90          69.492      90          
1 1 1 15 15 1  o 27.9589 5.21798 8.33611      2.85761  0.271181     2.54465  4.52214     24.8504     30.5482     204.85      
1 1 1 15 15 2  o 21.1355 5.74838 2.65616      2.44429  0.240466     3.0621   0.869444    105.566     12.5092     105.566     
1 1 1 15 15 3  o 103.329 2.88419 60.7725      4.10178  56.8621      4.97925  88.5735     133.297     21.659      313.297     
1 1 1 15 15 4  o 37.6036 5.05839 9.68506      2.67341  6.75992      2.92661  4.62629     231.941     76.7529     231.941     
1 1 1 15 15 5  o 51.3317 4.16126 14.6342      3.15903  15.0356      3.30052  48.0537     168.566     5.82512     168.566     
1 1 1 15 15 6  o 74.324  3.24927 32.8707      3.8968   28.3969      3.50783  63.4821     136.321     13.485      316.321     
1 1 1 15 15 7  o 20.7609 5.67203 2.72854      2.67018  0.266895     2.63889  1.95501     144.065     23.2159     144.065     
1 1 1 15 15 8  o 45.1924 4.56311 12.6231      3.11815  10.706       3.04047  41.912      96.2982     6.91364     96.2983     
1 1 1 15 15 9  o 57.7267 3.79629 18.4255      3.35532  18.9087      3.31528  45.8833     8.2238      15.3471     188.224     
1 1 1 15 15 10 o 17.1146 5.04911 1.48793      2.30785  -1.31134     2.33053  7.40423     328.469     32.1881     328.469     
1 1 1 15 15 11 o 30.6007 5.66952 4.39382      2.99643  6.59196      2.52053  16.5785     258.074     4.85968     258.074     
1 1 1 15 15 12 o 87.1548 2.95088 44.4326      4.35713  39.7346      3.5328   85.7248     98.336      4.70316     98.3361     
1 1 1 15 15 13 f 16.2663 4.70818 -0.973253    2.00054  1.53882      1.9592   7.23798     8.53184     0           0           
1 1 1 15 15 14 o 82.4207 2.53428 36.7666      3.22973  38.2475      3.18579  80.959      263.923     4.16209     263.923     
1 1 1 15 15 15 o 21.3616 5.19456 3.47553      2.03496  0.86555      2.38447  8.21517     286.57      12.1429     106.57      
1 1 1 15 15 16 o 20.7872 4.95546 0.992868     1.97697  3.43586      1.9843   1.94729     213.881     38.7762     213.881     
1 1 1 15 15 17 o 37.394  4.41841 7.98785      2.32143  8.28811      2.58449  13.1449     257.918     43.165      77.9176     
1 1 1 15 15 18 o 19.006  5.04472 2.2748       2.06866  0.943072     1.9868   2.22871     136.863     24.6077     316.863     
1 1 1 15 15 19 o 18.7928 4.8778  -0.250963    2.03177  2.95215      2.00989  7.15107     69.25       7.98342     249.25      
1 1 1 15 15 20 o 29.7299 4.79263 4.85246      2.13077  5.74523      2.16422  21.2459     155.36      9.10883     335.36      
1 1 1 15 15 21 o 14.2926 4.49737 -1.74108     1.94842  0.308469     2.11559  2.02542     144.696     21.363      144.696     
1 1 1 15 15 22 o 65.7906 3.30354 26.6609      3.08365  22.3651      3.48775  75.1442     272.8       26.1783     272.8       
1 1 1 15 15 23 o 15.9426 4.6052  -0.17032     1.79624  1.37078      1.86506  3.29342     180.22      11.7702     0.219822    
1 1 1 15 15 24 o 65.4698 3.00186 20.9488      2.97995  27.5435      2.99436  72.3316     227.834     21.1132     227.834     
1 1 1 15 15 25 o 18.4828 4.76612 -0.161554    1.93033  2.9795       1.93028  0.014302    347.945     30.8902     167.941     
1 1 1 15 15 26 o 92.6362 2.61859 48.8582      3.81316  47.1871      3.64272  98.7884     326.825     20.7506     326.825     
1 1 1 15 15 27 o 25.9088 5.07183 4.6958       2.18387  3.67871      2.01179  23.1735     335.08      1.4913      335.08      
1 1 1 15 15 28 o 41.8209 3.77576 9.06669      2.38201  11.534       2.32266  36.5952     324.619     4.62458     144.619     
1 1 1 15 15 29 o 39.3358 4.23483 8.38963      2.59016  10.2646      2.30856  30.499      10.7234     11.6766     190.723     
1 1 1 15 15 30 o 21.4    5.10958 2.52442      2.00143  3.06543      2.00477  15.9642     78.0475     0.119063    78.0474     
1 1 1 15 15 31 o 35.7896 4.41367 9.6914       2.29894  6.21557      2.32517  29.4473     6.01044     5.90954     186.01      
1 1 1 15 15 32 o 45.2851 3.57923 11.8668      2.43238  12.3324      2.4741   32.9144     337.277     18.1048     157.277     
1 1 1 15 15 33 o 15.9752 4.79255 -1.12244     2.14433  1.68783      2.15898  5.61693     226.395     1.91339     46.3946     
1 1 1 15 15 34 o 25.6787 5.66745 4.60064      2.5537   4.50693      2.41687  18.2744     268.608     7.17843     88.6077     
1 1 1 15 15 35 o 17.5582 5.0748  1.8093       2.27341  1.04204      2.08322  4.81917     70.931      18.7164     250.931     
1 1 1 15 15 36 o 40.6392 4.27996 10.6079      2.60862  10.4485      2.58499  31.8787     315.357     10.9626     135.357     
1 1 1 15 15 37 o 19.0802 5.31299 1.50418      2.33067  2.84538      2.31546  15.588      197.34      1.87431     197.34      
1 1 1 15 15 38 o 19.5414 5.29338 1.50452      2.3067   3.32467      2.26615  13.6022     67.6591     4.25696     247.659     
1 1 1 15 15 39 o 25.9057 5.37415 7.03084      2.47206  2.97459      2.42568  19.5937     260.48      5.4672      80.4799     
1 1 1 15 15 40 o 16.2416 5.07285 0.597714     2.45395  0.992601     2.52591  6.10304     138.492     13.6766     318.492     
1 1 1 15 15 41 o 18.6602 5.25781 2.97078      2.29916  1.7606       2.28715  16.3659     105.263     4.24273     105.263     
1 1 1 15 15 42 o 15.7536 4.83351 3.00599      2.4741   -2.45463     2.31625  11.0998     310.083     0.501111    130.082     
1 1 1 15 15 43 f 15.4721 4.82459 0.0914052    2.2064   1.64837      2.31879  5.55862     92.0628     0           0           
1 1 1 15 15 44 o 15.5191 4.97589 0.655324     2.26698  0.83564      2.87307  9.56133     304.518     2.60939     124.518     
1 1 1 15 15 45 o 13.0873 4.39445 -0.972072    2.27347  -0.931111    2.51425  5.20769     281.675     0.944503    101.675     
1 1 1 15 15 46 o 21.0863 5.55383 2.49901      2.5026   5.31693      2.53685  14.9147     204.582     2.29533     24.5821     
1 1 1 15 15 47 o 16.5913 5.27086 -0.00129321  2.91676  2.78127      2.84461  1.95194     118.827     0.220421    118.827     
1 1 1 15 15 48 o 14.6789 4.76675 -0.36038     2.47664  1.72318      2.50194  6.33146     11.0884     1.38998     191.088     
1 1 1 15 15 49 o 16.1412 5.15115 2.59962      2.56409  0.914527     3.03551  10.7285     256.428     1.79803     76.4284     
1 1 1 15 16 0  o 123.04  2.26531 82.9091      4.28546  82.9091      4.28546  124.115     270         8.55136     270         
1 1 1 15 16 1  o 47.1419 3.82768 13.6555      2.8201   11.4335      2.63215  36.8854     298.789     10.9936     118.789     
1 1 1 15 16 2  o 45.4595 4.38498 10.7416      3.18185  12.8468      2.69202  42.1362     74.3205     5.08132     74.3206     
1 1 1 15 16 3  o 64.6665 3.1991  23.4839      3.31673  22.992       3.00915  63.2645     224.787     6.18716     224.787     
1 1 1 15 16 4  o 61.6775 3.15313 22.199       2.98853  20.1086      2.95602  64.1653     68.8901     14.5584     68.8901     
1 1 1 15 16 5  o 57.8241 3.40282 18.8096      3.1407   18.5198      2.85882  48.7171     107.875     9.92615     287.875     
1 1 1 15 16 6  o 24.1088 5.70971 2.31147      2.57732  3.96331      2.49824  8.48234     296.379     8.75992     116.379     
1 1 1 15 16 7  o 106.243 2.77112 65.4676      4.92581  59.2992      4.12061  109.382     238.486     14.9873     238.486     
1 1 1 15 16 8  o 94.0846 2.77196 49.7045      4.22479  48.1669      3.78302  100.663     85.6758     21.6619     85.6758     
1 1 1 15 16 9  o 17.8067 5.07177 0.616559     2.09075  1.24705      2.19133  0.837906    316.754     4.80523     136.754     
1 1 1 15 16 10 o 46.0132 3.53823 12.5449      2.47986  11.3363      2.44912  48.2555     117.938     14.0096     117.938     
1 1 1 15 16 11 o 15.1753 4.67128 -2.0589      2.06987  0.858079     2.19935  9.53259     93.9546     40.1131     93.9546     
1 1 1 15 16 12 o 55.5525 3.26243 15.5167      2.62605  19.159       2.90384  35.2859     276.252     34.5546     96.2525     
1 1 1 15 16 13 o 82.1114 2.83051 35.9439      3.55144  38.9807      3.58143  68.3185     314.328     20.5831     134.328     
1 1 1 15 16 14 o 26.4532 4.98513 7.40608      2.51806  0.535573     2.33569  18.1878     109.187     6.59197     289.187     
1 1 1 15 16 15 o 28.7859 5.28663 7.00935      2.52298  3.01444      2.41042  12.464      229.686     25.7004     49.686      
1 1 1 15 16 16 o 19.4424 5.22046 3.22633      2.41554  -0.772693    2.30249  3.556       79.5473     22.4632     259.547     
1 1 1 15 16 17 o 16.8671 5.12783 -0.426279    2.36166  0.609944     2.46266  0.845245    63.221      0.824496    243.221     
1 1 1 15 16 18 o 55.1403 4.2131  12.5093      3.33903  23.3683      3.38349  54.5168     277.994     6.08718     277.994     
1 1 1 15 16 19 o 76.9885 3.18804 35.722       3.91653  31.0874      3.61083  83.8064     263.739     21.7063     263.739     
1 1 1 15 16 20 f 16.1563 5.09815 -2.13499     3.00166  0.237705     2.31611  36.3434     14.6387     0           0           
1 1 1 15 16 21 o 17.6825 5.40107 0.0594295    2.63473  0.317448     2.7419   5.01315     310.653     13.573      130.653     
1 1 1 15 16 22 o 41.7792 4.57609 10.0626      2.63499  10.6782      3.05505  43.1113     195.011     10.5503     195.011     
1 1 1 15 16 23 o 22.0047 5.51901 1.94734      2.37246  3.398        2.37938  9.33255     313.588     18.1276     133.588     
1 1 1 15 16 24 o 38.7523 4.4579  8.02426      2.47644  9.97081      2.65612  44.7767     283.498     19.9711     283.498     
1 1 1 15 16 25 o 20.4809 5.23226 3.00791      2.00435  1.25962      2.40363  13.1876     218.687     7.43463     38.6872     
1 1 1 15 16 26 o 23.6686 4.63277 5.76305      2.00467  0.739238     2.05216  22.6663     273.304     7.68245     273.304     
1 1 1 15 16 27 o 13.7115 4.27758 0.314767     1.74897  -0.976616    1.84019  0.939594    118.937     0.629711    298.937     
1 1 1 15 16 28 o 13.097  4.20183 -0.305225    1.82543  -1.22592     1.87169  0.551064    247.952     18.1563     247.952     
1 1 1 15 16 29 o 15.5342 4.63937 1.19192      1.96216  -0.3356      1.91939  5.19814     214.393     3.38652     34.3931     
1 1 1 15 16 30 o 18.8247 5.02038 1.53         2.00837  2.22624      1.98251  11.0944     82.9773     0.399287    262.977     
1 1 1 15 16 31 o 31.4574 4.73257 6.45308      2.26064  6.11382      2.18368  33.4429     81.4948     13.9658     81.4948     
1 1 1 15 16 32 o 18.6218 5.17871 1.00879      2.25786  2.40441      2.17206  6.65568     354.71      16.1556     174.71      
1 1 1 15 16 33 o 31.5919 5.19004 4.82303      2.50533  8.78607      2.55271  28.0116     162.099     0.573986    162.099     
1 1 1 15 16 34 o 27.7855 5.19048 7.33435      2.41137  3.43952      2.30915  21.525      8.01614     5.45645     188.016     
1 1 1 15 16 35 o 18.0274 5.1386  1.47812      2.21857  2.00441      2.18285  13.4564     101.671     1.58395     101.671     
1 1 1 15 16 36 o 12.2664 4.09881 -2.61105     2.11216  -0.723386    2.02251  4.39541     179.441     3.42602     359.441     
1 1 1 15 16 37 o 22.9558 5.53287 3.69221      2.32556  4.09663      2.36395  18.1899     92.7951     1.6658      272.795     
1 1 1 15 16 38 o 27.1372 5.49876 7.50462      2.64697  3.79188      2.35968  28.1327     206.135     11.847      206.135     
1 1 1 15 16 39 o 34.8313 5.74643 11.7622      3.29184  7.18788      2.8253   36.261      136.763     11.0143     136.763     
1 1 1 15 16 40 o 14.8527 4.74138 0.92831      2.25513  -0.676362    2.43066  9.47495     172.93      2.99317     352.93      
1 1 1 15 16 41 o 16.33   5.06352 0.211759     2.33321  2.08742      2.57778  11.8631     317.089     3.56509     317.089     
1 1 1 15 16 42 o 13.7119 4.46143 -1.50135     2.26729  0.739435     2.17331  1.26617     328.551     0.322921    328.551     
1 1 1 15 16 43 o 18.936  5.37999 3.70552      2.36113  1.7879       2.61425  15.6429     61.7998     3.64449     61.7998     
1 1 1 15 16 44 o 13.6825 4.52832 0.467964     2.502    -1.27476     2.25912  5.56436     331.35      6.7457      151.35      
1 1 1 15 16 45 o 14.1512 4.60248 -0.929876    2.26755  1.04858      2.38125  3.13833     65.203      1.81533     245.203     
1 1 1 15 16 46 o 14.7223 4.75373 1.1352       2.36364  -0.157277    2.4804   4.50455     21.9576     3.0944      201.958     
1 1 1 15 16 47 o 14.8978 4.81659 0.231869     2.45345  1.67456      2.51697  7.00266     40.3934     4.28857     220.393     
1 1 1 15 16 48 o 13.4514 4.54575 -0.198632    2.4542   -0.700508    2.8684   4.61369     185.951     1.11392     185.951     
1 1 1 15 17 0  o 103.87  2.63228 59.3658      4.19802  59.3658      4.19802  96.2554     90          8.32085     270         
1 1 1 15 17 1  o 70.684  3.01544 28.7651      3.27066  26.8246      3.26026  64.5829     6.68272     4.41476     186.683     
1 1 1 15 17 2  o 92.8678 2.81562 49.0816      4.21622  46.4981      3.81644  96.4972     64.8595     16.039      64.8595     
1 1 1 15 17 3  o 25.2274 5.83448 4.215        2.95931  3.11147      2.2619   13.1271     205.958     12.1717     25.9576     
1 1 1 15 17 4  o 66.3469 3.14951 25.1431      3.48284  23.9736      2.89858  81.6599     56.3909     39.9008     56.3909     
1 1 1 15 17 5  o 21.6411 5.46762 3.42196      2.42429  1.19134      2.31969  0.846952    5.2614      37.2372     5.2614      
1 1 1 15 17 6  o 59.0334 3.58334 23.6685      3.49288  15.9557      2.9457   51.385      336.248     8.18064     156.248     
1 1 1 15 17 7  o 23.3545 5.81115 4.30517      2.98685  1.58979      2.28786  1.82733     344.586     43.7564     344.586     
1 1 1 15 17 8  o 55.8944 3.28267 16.9917      2.93209  18.0813      2.64601  44.9752     174.186     14.9972     354.186     
1 1 1 15 17 9  o 75.9423 2.79839 33.0769      3.18577  31.0452      3.32741  71.1234     227.725     1.914       47.7246     
1 1 1 15 17 10 o 83.6059 2.68309 39.143       3.36439  38.4354      3.52246  78.6891     348.553     1.72153     168.553     
1 1 1 15 17 11 o 47.4636 3.90541 12.5776      2.81471  13.177       2.78496  43.3757     246.588     0.723804    66.5882     
1 1 1 15 17 12 o 87.1814 2.80173 44.3865      3.87555  40.2452      3.6287   106.542     351.678     48.0262     351.678     
1 1 1 15 17 13 o 74.4006 2.97638 30.8952      3.48709  30.9781      3.30193  79.0833     234.885     17.6655     234.885     
1 1 1 15 17 14 o 31.3865 5.07827 5.76507      2.5863   6.11355      2.21937  27.6336     259.952     2.31235     259.952     
1 1 1 15 17 15 f 29.636  5.17038 5.29689      2.54181  5.36851      2.15435  21.7217     244.751     0           0           
1 1 1 15 17 16 o 65.2213 3.11042 22.6053      3.27372  25.3092      2.89003  73.2598     186.756     24.5008     186.756     
1 1 1 15 17 17 o 32.3362 4.74909 5.26778      2.29425  7.36685      2.28401  24.174      5.57818     8.56945     185.578     
1 1 1 15 17 18 o 15.1839 4.53645 -0.651023    1.88277  0.973576     1.85467  1.98655     15.7619     12.4026     195.762     
1 1 1 15 17 19 o 29.9681 4.68673 4.72416      2.08108  6.16324      2.13863  17.5281     201.732     17.8867     21.7316     
1 1 1 15 17 20 o 58.6722 3.49567 19.9017      3.36482  19.4373      2.8746   58.6409     107.885     7.68219     107.885     
1 1 1 15 17 21 o 20.6187 4.8837  0.108433     2.06425  4.06965      2.05618  11.0716     265.63      5.04514     265.63      
1 1 1 15 17 22 o 76.1724 2.77562 31.8673      3.42376  33.4022      3.04099  80.71       96.311      17.7269     96.311      
1 1 1 15 17 23 o 57.5603 3.23168 17.6155      2.98452  20.2966      2.64127  61.219      309.136     14.7241     309.136     
1 1 1 15 17 24 o 23.2222 5.28452 4.36816      2.39185  2.36644      1.94866  0.886547    10.6617     39.5965     190.662     
1 1 1 15 17 25 o 41.0991 4.49937 10.9806      2.76718  9.58437      2.73517  43.0992     355.187     11.7584     355.187     
1 1 1 15 17 26 o 64.3069 3.28415 24.5215      3.23488  23.2741      3.22391  71.9621     238.948     24.3546     238.948     
1 1 1 15 17 27 o 22.9856 5.55223 1.97529      2.4644   4.49584      2.44206  14.8406     38.2778     8.09832     38.2778     
1 1 1 15 17 28 o 40.1072 4.63586 10.0978      2.75789  9.86354      2.77023  41.4802     236.767     11.2971     236.767     
1 1 1 15 17 29 o 25.9858 5.33232 3.39673      2.05384  5.59156      2.50329  20.5403     95.0137     1.75437     275.014     
1 1 1 15 17 30 o 31.2074 5.3242  6.53458      2.47103  6.43546      2.5879   21.6364     334.446     11.7667     154.446     
1 1 1 15 17 31 o 24.9258 5.60757 4.48738      2.41109  4.0952       2.4374   18.2876     30.0307     4.96339     210.031     
1 1 1 15 17 32 o 18.3566 5.07397 1.48247      2.07859  2.23301      2.09682  9.05674     17.3469     10.5556     197.347     
1 1 1 15 17 33 o 15.0223 4.6704  0.583942     2.17879  -0.0227026   1.99489  7.63601     62.5035     1.60492     242.503     
1 1 1 15 17 34 o 18.8736 5.23136 1.6256       2.29279  2.62495      2.18373  15.3772     213.031     2.47908     213.031     
1 1 1 15 17 35 o 23.4871 5.27157 5.44643      2.29519  2.45632      2.20244  17.0954     221.102     5.68583     41.1016     
1 1 1 15 17 36 f 17.5352 5.11565 1.35117      2.23395  1.92867      2.25031  14.2868     70.2025     0           0           
1 1 1 15 17 37 o 30.6288 5.18717 5.77081      2.39195  7.93013      2.4699   28.9052     196.242     4.52065     196.242     
1 1 1 15 17 38 o 24.1247 5.87691 5.09152      2.74591  4.56556      2.54481  16.3358     163.617     8.8269      343.617     
1 1 1 15 17 39 f 26.9631 5.90694 6.93741      2.72228  5.30587      2.75295  26.8308     214.46      0           0           
1 1 1 15 17 40 o 12.5797 4.18208 -2.11129     2.09747  -0.0460953   2.10372  5.59042     122.819     2.69025     302.819     
1 1 1 15 17 41 o 18.5283 5.25588 2.20566      2.31231  2.92338      2.27714  14.9632     228.917     3.21947     228.917     
1 1 1 15 17 42 o 13.0833 4.33503 -0.160412    2.19705  -1.03423     2.20467  4.66311     125.215     8.86444     305.215     
1 1 1 15 17 43 f 19.2235 5.50361 3.7639       2.68383  2.55671      2.37758  15.4839     179.712     0           0           
1 1 1 15 17 44 o 20.4909 5.65777 2.56726      2.43099  5.06024      2.79269  13.5065     153.01      1.76087     333.01      
1 1 1 15 17 45 o 19.3805 5.45988 1.56349      2.5816   4.86532      2.59024  12.0805     342.111     3.34322     162.111     
1 1 1 15 17 46 o 21.6338 5.68465 3.96679      2.5254   5.74446      2.59666  15.1051     165.505     4.27728     345.505     
1 1 1 15 17 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 18 0  o 51.5856 3.49594 15.091       2.71472  15.091       2.71472  42.2959     90          14.3612     270         
1 1 1 15 18 1  o 32.6452 5.1142  6.97866      2.47766  5.80466      2.53399  18.2379     318.486     21.3725     138.486     
1 1 1 15 18 2  o 68.3143 3.19859 24.5542      3.00979  27.8096      3.67872  64.2112     264.103     0.00948007  264.105     
1 1 1 15 18 3  f 64.3158 3.30828 22.2408      3.22056  24.269       3.28511  66.5835     177.924     0           0           
1 1 1 15 18 4  o 14.8173 4.70415 -1.96692     2.28319  -0.0346215   2.26241  0.0818518   191.116     0.473893    11.1159     
1 1 1 15 18 5  o 22.9602 5.46956 4.44929      2.46406  1.11219      2.40656  14.1461     187.951     0.345783    187.951     
1 1 1 15 18 6  o 27.3079 5.16821 6.43111      2.26733  2.34669      2.49286  15.2924     107.828     15.5258     287.828     
1 1 1 15 18 7  o 32.22   4.80575 8.22165      2.35822  4.34982      2.29476  23.3269     295.573     9.49754     115.573     
1 1 1 15 18 8  o 16.3854 4.85038 1.40399      2.05913  -1.24221     2.27479  9.80119     207.621     45.5542     207.621     
1 1 1 15 18 9  o 28.8108 5.39898 3.67836      2.47464  6.44604      2.50247  18.9247     49.875      10.9838     229.875     
1 1 1 15 18 10 o 48.2621 3.95245 11.7555      2.8252   15.1438      2.90598  54.7153     286.709     22.2308     286.709     
1 1 1 15 18 11 o 20.5672 5.62026 1.37101      2.77705  2.27047      2.33557  8.74316     292.352     11.8821     112.352     
1 1 1 15 18 12 o 35.4084 5.14408 5.77399      3.05361  9.46182      2.32022  39.6846     315.579     27.1087     315.579     
1 1 1 15 18 13 o 18.2801 5.17544 1.15134      2.44751  1.25671      1.97996  4.34497     256.341     1.10182     76.3412     
1 1 1 15 18 14 o 14.4773 4.46691 -0.553663    1.93749  0.17638      1.83883  2.58755     11.6545     24.2306     11.6545     
1 1 1 15 18 15 o 45.1869 3.57405 11.8636      2.45903  11.5611      2.42967  37.159      252.852     8.6037      72.8523     
1 1 1 15 18 16 o 52.9029 3.22729 16.0268      2.60193  15.746       2.6047   44.9458     14.4018     8.27908     194.402     
1 1 1 15 18 17 o 32.8194 4.55415 6.52354      2.21496  6.41848      2.2237   20.7269     39.6336     17.4103     219.634     
1 1 1 15 18 18 o 32.3636 4.49441 7.16064      2.20468  5.49113      2.11451  35.2744     67.1071     15.4323     67.1071     
1 1 1 15 18 19 f 53.6885 3.19753 17.4107      2.76105  15.4686      2.47908  45.0813     280.587     0           0           
1 1 1 15 18 20 o 30.9495 4.91845 7.20958      2.37117  4.72446      2.23159  30.6403     141.854     6.82782     141.854     
1 1 1 15 18 21 o 40.2549 3.98146 9.85624      2.28401  9.32113      2.49948  27.0409     299.665     20.0981     119.665     
1 1 1 15 18 22 o 18.3662 4.53597 -0.621794    1.89152  3.35164      1.79871  9.12215     354.81      10.377      174.81      
1 1 1 15 18 23 o 24.7378 4.96825 3.34213      2.02619  4.38138      1.96707  12.3512     71.4813     17.9852     251.481     
1 1 1 15 18 24 o 27.4678 4.80439 4.04239      2.05467  5.52497      2.017    19.518      21.9323     8.2043      201.932     
1 1 1 15 18 25 o 28.6011 4.7184  4.6539       2.05686  5.68811      2.0322   24.5683     134.73      0.590246    134.73      
1 1 1 15 18 26 o 13.738  4.27973 0.334706     1.79582  -0.720808    1.75742  1.9503      172.594     3.44803     352.594     
1 1 1 15 18 27 o 39.9193 3.91416 8.50027      2.34419  10.7528      2.29555  31.926      303.031     8.16802     123.031     
1 1 1 15 18 28 o 53.9818 3.16359 17.1727      2.6737   16.8423      2.5376   48.2953     77.4193     2.52876     257.419     
1 1 1 15 18 29 o 26.2207 5.98128 5.98588      3.23316  3.93693      2.26644  3.96514     55.5471     38.2192     235.547     
1 1 1 15 18 30 o 24.2993 6.13134 5.27392      2.94508  3.16184      2.96382  21.2845     225.916     4.81628     225.916     
1 1 1 15 18 31 o 22.0784 5.76126 3.40458      2.56607  3.3684       2.60645  15.6544     99.7992     4.67733     279.799     
1 1 1 15 18 32 o 36.035  5.51132 9.33573      2.96786  9.11973      2.9705   37.2408     177.746     10.6452     177.746     
1 1 1 15 18 33 o 37.2043 5.08454 8.73843      2.56499  10.3812      3.05253  28.5079     249.335     9.94147     69.3351     
1 1 1 15 18 34 o 18.9374 5.13882 3.07276      2.08531  1.32568      2.26519  14.024      166.901     5.42427     166.901     
1 1 1 15 18 35 o 21.1005 5.5629  1.25932      2.80014  4.74942      2.48679  18.0346     233.869     6.15897     233.869     
1 1 1 15 18 36 o 17.419  5.09697 -0.195579    2.44111  2.98274      2.31595  11.1332     48.266      5.30019     48.2659     
1 1 1 15 18 37 o 24.9064 5.5578  5.222        2.40276  4.70516      2.36813  20.1922     171.589     2.37196     351.589     
1 1 1 15 18 38 o 19.0617 5.38666 0.485682     2.54328  4.35344      2.5864   15.6525     282.033     2.16552     282.033     
1 1 1 15 18 39 o 21.4858 5.27801 5.75551      2.33765  1.04357      2.6578   17.4939     333.997     0.252462    333.997     
1 1 1 15 18 40 o 15.945  4.64916 3.53298      2.18615  -2.72179     2.24514  7.60802     142.66      3.40165     142.66      
1 1 1 15 18 41 o 15.1798 4.7629  1.83798      2.28171  -0.249388    2.24583  9.20239     335.181     1.40237     155.181     
1 1 1 15 18 42 f 20.9344 5.57002 3.58075      2.41153  4.24625      2.47651  8.7183      238.049     0           0           
1 1 1 15 18 43 o 13.0635 4.34497 0.123076     2.22367  -1.53296     2.30977  1.60255     215.946     4.95343     35.9462     
1 1 1 15 18 44 o 15.9169 5.08276 0.470171     2.43432  2.43323      2.85135  5.48424     323.519     0.318911    323.519     
1 1 1 15 18 45 f 18.5365 5.47679 3.98248      2.61461  2.89218      2.64332  12.9015     230.699     0           0           
1 1 1 15 18 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 19 0  o 21.1901 6.46017 3.64795      2.16597  3.64795      2.16597  11.0338     270         2.47817     270         
1 1 1 15 19 1  o 13.5791 4.30113 -3.16994     1.97611  0.528517     1.99471  3.20198     98.1122     21.7999     98.1122     
1 1 1 15 19 2  o 26.1203 5.21655 3.41443      2.21051  4.85628      2.21329  20.877      11.4934     2.96955     11.4934     
1 1 1 15 19 3  o 34.2608 5.0295  6.36078      2.75914  7.81472      2.36237  37.0694     101.426     19.393      101.426     
1 1 1 15 19 4  o 85.2085 2.83049 35.7016      3.59637  45.7705      3.78735  81.6384     161.288     3.17521     161.288     
1 1 1 15 19 5  o 70.0857 2.95387 28.9565      2.96198  26.1839      3.34332  78.8726     99.09       27.4415     99.09       
1 1 1 15 19 6  o 20.397  5.15963 1.34614      2.06483  2.96171      2.12362  10.0101     333.022     7.56499     153.022     
1 1 1 15 19 7  o 80.8233 3.38663 42.6212      3.29229  31.6415      4.6586   89.0723     23.1087     27.0246     23.1087     
1 1 1 15 19 8  o 19.1622 5.53054 1.7514       2.33219  0.293304     2.94007  6.44094     145.633     13.9786     325.633     
1 1 1 15 19 9  o 26.1387 5.51163 4.52857      2.34659  3.82771      2.4416   16.8155     174.576     9.23067     354.576     
1 1 1 15 19 10 o 46.6628 3.6867  11.9068      2.67764  13.1448      2.50809  39.1483     290.104     7.03971     110.104     
1 1 1 15 19 11 o 14.9898 4.57469 0.0217889    1.91947  0.070786     1.93158  2.26226     205.93      5.71456     25.93       
1 1 1 15 19 12 o 24.2075 5.06995 2.73907      2.00441  4.36983      2.10064  7.00531     36.3198     27.4606     216.32      
1 1 1 15 19 13 f 45.3618 3.52412 12.5265      2.38427  11.1285      2.44402  41.7471     97.608      0           0           
1 1 1 15 19 14 o 28.3577 4.86283 5.63736      2.09439  4.24073      2.13072  11.756      112.58      26.8238     292.58      
1 1 1 15 19 15 o 16.4589 4.54865 2.57636      1.99866  -1.61055     1.79361  6.86957     0.355192    0.370245    180.355     
1 1 1 15 19 16 o 49.4048 3.5315  13.9867      2.68128  14.167       2.61719  39.0457     214.284     13.3985     34.2837     
1 1 1 15 19 17 o 13.0059 4.14859 0.0271246    1.87171  -1.52302     1.68344  3.51659     271.539     7.24269     91.5392     
1 1 1 15 19 18 o 27.3347 4.90943 4.16484      2.185    5.16783      1.98202  12.6487     229.13      23.2409     49.1298     
1 1 1 15 19 19 o 31.6682 4.84037 5.55472      2.52202  6.93391      2.06031  24.134      33.3689     7.83648     213.369     
1 1 1 15 19 20 o 13.6798 4.19993 -2.11044     1.86381  0.972005     1.70366  1.92761     166.878     23.7046     166.878     
1 1 1 15 19 21 o 21.3368 4.57411 4.67544      1.90856  0.573021     1.80696  16.141      147.356     2.41898     147.356     
1 1 1 15 19 22 o 61.8076 2.83264 20.7915      2.6689   22.8295      2.69005  59.474      63.5273     5.03636     63.5273     
1 1 1 15 19 23 o 46.6019 3.38158 11.2295      2.3605   14.2255      2.39481  44.3397     205.478     4.22211     205.478     
1 1 1 15 19 24 o 44.5598 3.5693  10.3471      2.42795  13.1568      2.32733  45.3013     197.196     10.5928     197.196     
1 1 1 15 19 25 f 51.0266 3.22547 15.1035      2.56677  15.2775      2.44558  42.7513     16.7767     0           0           
1 1 1 15 19 26 o 20.3485 5.01387 2.99873      1.98039  2.15027      1.89435  11.9669     275.502     7.32879     95.5024     
1 1 1 15 19 27 o 40.2643 4.2148  11.6569      2.5369   8.65161      2.48513  32.9827     316.124     6.36449     136.124     
1 1 1 15 19 28 o 37.0155 4.51937 8.89447      2.50242  8.74025      2.46349  36.9702     127.517     8.60201     127.517     
1 1 1 15 19 29 o 18.6783 5.01141 2.18418      2.00326  2.03901      1.96673  10.052      117.172     9.55299     297.172     
1 1 1 15 19 30 o 30.3917 4.82124 7.01666      2.20797  5.54427      2.20435  28.6533     343.522     4.27643     343.522     
1 1 1 15 19 31 o 20.7373 5.39594 2.0914       2.39639  3.70043      2.25107  17.9199     294.945     4.61363     294.945     
1 1 1 15 19 32 o 18.6184 5.08762 2.9502       2.15241  1.32794      2.06459  12.1276     273.809     4.05917     93.8087     
1 1 1 15 19 33 f 14.9528 4.61104 -0.0937293   2.00729  1.10585      2.0281   8.29494     211.843     0           0           
1 1 1 15 19 34 o 19.0879 4.97829 -1.29631     2.61449  4.46181      2.17934  15.9549     261.579     5.45283     261.578     
1 1 1 15 19 35 o 17.6284 5.38816 2.32494      2.70249  0.89655      2.70179  13.3101     215.234     0.070103    215.234     
1 1 1 15 19 36 o 18.4998 5.46691 3.40346      2.66132  0.984163     2.6923   14.9902     84.7381     7.54081     84.7381     
1 1 1 15 19 37 o 27.7577 6.2052  6.46157      2.95159  7.41328      3.00067  17.8649     175.898     12.1699     355.898     
1 1 1 15 19 38 o 20.7249 5.49372 1.11106      2.34     5.90317      2.75745  18.5634     24.6908     6.72833     24.6908     
1 1 1 15 19 39 o 16.0337 4.83361 3.17993      2.31255  -1.35543     2.31223  10.5995     148.403     0.187629    328.403     
1 1 1 15 19 40 o 20.2441 5.51194 2.85552      2.47135  4.25931      2.44449  16.0612     306.299     3.2513      306.299     
1 1 1 15 19 41 f 17.4533 5.19007 4.04345      2.63055  -0.129344    2.37993  6.54408     283.366     0           0           
1 1 1 15 19 42 f 16.6085 4.98205 -0.784497    2.35614  3.68554      2.44651  6.16038     4.06419     0           0           
1 1 1 15 19 43 o 18.4613 5.31635 4.22411      2.42572  1.92231      2.5029   12.3091     22.1649     3.58524     22.1649     
1 1 1 15 19 44 o 14.6515 4.75318 0.551247     2.39456  1.33564      2.47969  7.74261     96.7785     1.54325     96.7785     
1 1 1 15 19 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 20 0  o 68.5346 2.81406 26.1728      2.94673  26.1728      2.94673  64.5985     270         0.02565     90          
1 1 1 15 20 1  o 44.6159 3.64691 10.5055      2.45833  12.4532      2.43973  25.1661     281.499     31.3537     101.499     
1 1 1 15 20 2  o 35.6933 4.71039 6.54047      2.61384  8.81731      2.32593  35.8491     341.671     10.2568     341.671     
1 1 1 15 20 3  o 26.1256 5.56307 4.14613      2.41711  4.27159      2.4257   14.3981     346.154     15.0672     166.154     
1 1 1 15 20 4  o 17.7592 5.13364 0.423966     2.27577  1.42817      2.21437  3.5191      268.049     0.286455    88.0488     
1 1 1 15 20 5  o 40.165  4.14517 9.8102       2.35573  9.13189      2.59806  30.6896     336.689     11.0981     156.689     
1 1 1 15 20 6  o 47.5359 3.55795 11.7549      2.44836  14.2629      2.67954  36.0484     283.364     14.9957     103.364     
1 1 1 15 20 7  o 56.7528 3.30679 19.2971      2.86695  17.4039      2.85532  36.399      17.9686     32.341      197.969     
1 1 1 15 20 8  o 39.0598 4.32948 9.00583      2.51853  9.09344      2.51856  28.2537     53.0862     14.1461     233.086     
1 1 1 15 20 9  o 31.54   4.64094 6.08371      2.19136  5.98556      2.1698   34.2692     314.698     15.9546     314.698     
1 1 1 15 20 10 o 19.8993 5.02456 1.29515      2.00683  2.88198      1.98127  14.0912     250.745     2.70239     250.745     
1 1 1 15 20 11 f 29.5812 4.76449 6.06568      2.13281  4.70076      2.12191  28.8964     222.966     0           0           
1 1 1 15 20 12 o 76.7733 2.82391 32.2536      3.56904  34.22        3.04018  77.5656     202.357     12.2477     202.357     
1 1 1 15 20 13 o 23.0835 5.22854 3.86981      2.0254   2.55191      2.26933  1.63055     204.189     37.3386     24.1889     
1 1 1 15 20 14 o 20.6807 5.11697 2.82345      1.8944   2.03313      2.17758  13.0226     186.035     6.88783     6.03502     
1 1 1 15 20 15 o 21.1639 5.05988 2.70924      1.8738   2.6391       2.04923  10.3952     66.268      14.0254     246.268     
1 1 1 15 20 16 o 13.9354 4.40725 -0.0571726   1.72288  -0.977443    2.19223  1.64007     169.606     1.39859     349.606     
1 1 1 15 20 17 o 49.515  3.3169  14.7936      2.51349  13.6383      2.48178  42.0654     117.765     6.20289     297.765     
1 1 1 15 20 18 o 47.4436 3.48251 10.9071      2.54843  15.5841      2.32164  29.6227     137.709     27.4        317.709     
1 1 1 15 20 19 o 25.2494 5.07612 4.44224      2.09184  3.75991      2.05014  11.4248     213.758     20.171      33.7583     
1 1 1 15 20 20 o 43.1243 3.73476 12.2288      2.36471  9.89781      2.44781  42.433      158.505     7.85397     158.505     
1 1 1 15 20 21 o 29.1825 4.52573 6.78028      2.03783  4.01617      1.95205  16.4017     217.801     17.8974     37.8008     
1 1 1 15 20 22 o 16.0352 4.54548 1.38464      1.75931  0.704027     1.66868  5.95008     134.294     4.97462     314.294     
1 1 1 15 20 23 o 14.6519 4.41136 0.500383     1.82238  0.368437     1.66799  4.15172     11.4135     6.0275      191.414     
1 1 1 15 20 24 o 26.0118 4.9808  5.12975      2.17179  3.88989      1.92707  18.7919     231.637     5.92019     51.6374     
1 1 1 15 20 25 o 15.4582 4.63752 0.258647     2.08689  0.968328     1.78719  4.36845     61.7776     0.400409    241.778     
1 1 1 15 20 26 o 20.3965 5.18249 2.25816      2.14487  3.11283      2.04054  9.15277     135.121     15.1304     315.121     
1 1 1 15 20 27 o 14.9623 4.53967 0.305925     1.83761  0.818891     1.91711  7.64301     217.306     1.72512     37.3055     
1 1 1 15 20 28 o 14.0799 4.36921 0.398092     1.81133  0.0315446    1.83199  1.95876     159.328     18.1485     339.328     
1 1 1 15 20 29 o 16.6701 4.81467 1.58608      1.98003  1.14078      1.93813  11.0061     219.606     1.67546     219.606     
1 1 1 15 20 30 o 17.0278 4.88665 2.00659      2.03327  1.0231       1.99744  8.17632     85.0246     9.43165     265.025     
1 1 1 15 20 31 o 17.1469 4.98057 1.73025      2.21889  1.47546      1.99685  9.65339     308.315     5.22965     128.315     
1 1 1 15 20 32 o 15.1292 4.62251 -0.287339    2.03581  1.50582      2.0034   8.56871     67.4899     2.56881     247.49      
1 1 1 15 20 33 o 19.7471 5.20602 1.46387      2.16773  4.09313      2.26514  15.7475     269.936     0.0588284   269.936     
1 1 1 15 20 34 o 16.3368 4.93691 1.5548       2.23918  1.12898      2.16533  7.07655     17.6889     11.9446     197.689     
1 1 1 15 20 35 f 16.778  4.95723 1.8439       2.13865  1.52718      2.14269  4.14172     105.387     0           0           
1 1 1 15 20 36 o 13.568  4.47243 -0.796794    2.43977  -0.209039    2.15271  6.18115     16.0796     0.878732    196.08      
1 1 1 15 20 37 o 18.9448 5.31584 5.89886      2.85136  -1.61863     2.57239  14.5476     31.0492     7.3729      31.0492     
1 1 1 15 20 38 o 22.8189 5.85601 4.64227      2.93419  5.03511      2.46283  17.4351     277.613     1.67853     97.6135     
1 1 1 15 20 39 o 17.5888 5.4379  2.42954      2.73863  1.94936      2.86492  8.20078     74.2801     1.52302     74.2801     
1 1 1 15 20 40 o 12.7591 4.32673 -1.40048     2.2076   -1.06167     2.65064  1.07803     149.974     8.65516     329.974     
1 1 1 15 20 41 o 21.66   5.67235 5.21278      2.49235  3.91092      2.6122   17.1968     27.1446     5.8252      27.1446     
1 1 1 15 20 42 o 16.2222 5.1544  1.71788      2.52162  2.28625      2.84635  9.42211     226.238     1.52583     226.238     
1 1 1 15 20 43 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 21 0  o 10.1823 4.74911 -0.248291    1.91438  -0.248291    1.91438  0.104462    89.9998     4.64069     270         
1 1 1 15 21 1  o 20.1492 5.03384 0.971396     2.03489  3.29405      2.04609  15.6923     57.741      2.52296     57.741      
1 1 1 15 21 2  o 52.1493 3.49586 17.8064      2.99052  13.6762      2.56034  48.5542     8.17145     1.54813     8.17148     
1 1 1 15 21 3  o 60.065  3.31754 20.4171      3.05705  20.8884      3.0305   63.1301     159.933     15.875      159.933     
1 1 1 15 21 4  o 19.1186 5.1628  2.47881      2.04684  0.74835      2.33029  10.5645     211.988     8.94675     31.9884     
1 1 1 15 21 5  o 36.4199 4.43658 8.73269      2.32343  7.28529      2.44973  40.1488     130.18      16.4081     130.18      
1 1 1 15 21 6  o 47.1786 3.84323 14.0315      2.81156  12.0814      2.66658  43.2531     113.415     0.642463    113.416     
1 1 1 15 21 7  f 48.0187 3.80752 12.7066      2.66914  14.3288      2.86545  24.5238     186.63      0           0           
1 1 1 15 21 8  o 50.4915 3.48395 11.6261      2.49247  18.2703      2.80001  43.004      53.6976     6.2124      233.698     
1 1 1 15 21 9  o 33.2068 4.54941 8.06525      2.20497  5.53081      2.26125  33.42       170.449     9.46855     170.449     
1 1 1 15 21 10 o 23.4139 4.96671 4.47277      2.00149  2.312        1.99259  15.9748     24.9184     6.3275      204.918     
1 1 1 15 21 11 o 14.664  4.45306 -0.07747     1.825    0.471153     1.80095  1.92512     212.719     16.3048     32.7191     
1 1 1 15 21 12 o 28.1357 5.01423 5.09517      2.06518  4.96544      2.28173  20.1916     19.087      7.50127     199.087     
1 1 1 15 21 13 o 28.3    4.76901 5.03054      2.03557  5.06437      2.06181  24.2521     267.616     1.46671     267.616     
1 1 1 15 21 14 o 50.2434 3.14039 13.6233      2.40609  15.5555      2.39192  49.8162     17.5211     9.01153     17.5211     
1 1 1 15 21 15 o 32.5894 4.33075 6.97464      2.05095  6.09644      2.12952  23.8069     242.586     9.21768     62.5861     
1 1 1 15 21 16 f 12.6776 4.00546 -0.768857    1.65045  -0.0688499   1.56528  16.8265     106.88      0           0           
1 1 1 15 21 17 o 63.3209 2.7589  25.5206      2.7338   20.3242      2.60537  59.9735     258.8       4.6328      258.8       
1 1 1 15 21 18 o 29.4335 4.54767 3.48959      2.16946  7.55325      1.9286   16.5125     167.636     17.8197     347.636     
1 1 1 15 21 19 o 32.464  4.64173 6.55664      2.1663   6.79016      2.31463  19.6231     307.763     17.5313     127.763     
1 1 1 15 21 20 o 15.7657 4.38637 1.87729      1.578    -0.110438    1.74227  5.91187     67.8735     3.24672     247.874     
1 1 1 15 21 21 o 37.2312 3.91929 8.30407      2.05595  8.6931       2.29714  27.5814     175.291     10.7903     355.291     
1 1 1 15 21 22 f 12.2205 3.84279 -0.0886176   1.48619  -0.306437    1.4187   6.57619     65.7283     0           0           
1 1 1 15 21 23 o 33.515  4.11527 8.00341      2.02655  6.20613      2.04513  30.8763     78.3625     3.48311     78.3624     
1 1 1 15 21 24 o 24.0122 5.23579 4.30122      2.00544  3.7377       2.28987  16.1842     319.103     7.77935     139.103     
1 1 1 15 21 25 o 20.0603 4.97942 2.21058      1.94919  3.12871      1.89798  8.78992     313.171     15.8259     133.171     
1 1 1 15 21 26 o 20.6925 5.3788  2.6541       1.83024  3.27858      2.70424  15.8688     223.49      0.830627    43.4896     
1 1 1 15 21 27 o 19.3152 4.78517 3.23359      1.79804  1.63335      1.826    7.36783     319.172     17.0418     139.172     
1 1 1 15 21 28 o 14.0075 4.47575 0.517755     2.37949  -0.498307    1.66409  3.86041     28.7964     0.814382    208.796     
1 1 1 15 21 29 o 13.5539 4.24593 0.673896     1.82039  -0.451284    1.71803  4.83349     216.326     6.71832     36.326      
1 1 1 15 21 30 o 27.4748 4.92175 5.82942      2.1005   5.05375      2.07534  16.5894     74.6079     14.3639     254.608     
1 1 1 15 21 31 o 17.7169 5.03028 2.74511      2.2359   1.28795      1.98145  9.54393     331.883     9.5364      151.883     
1 1 1 15 21 32 o 14.6875 4.59157 1.24533      2.18064  -0.14194     1.91728  6.99916     85.5727     2.5435      85.5727     
1 1 1 15 21 33 f 16.3709 4.97264 1.1418       2.40744  1.60923      2.12906  7.82373     19.1077     0           0           
1 1 1 15 21 34 o 18.9623 5.25785 3.10026      2.23013  2.40531      2.26514  11.7823     140.549     6.99771     140.549     
1 1 1 15 21 35 o 17.3714 5.19266 3.19118      2.61901  0.951924     2.18789  12.5471     196.065     2.90283     196.065     
1 1 1 15 21 36 o 16.9832 5.17555 3.55439      2.65315  -0.46312     2.53527  7.95383     27.7027     3.68753     27.7027     
1 1 1 15 21 37 o 16.6899 5.09296 2.21344      2.30033  1.24637      2.52931  8.65819     316.639     2.85321     136.639     
1 1 1 15 21 38 f 15.4637 4.63907 -3.64772     2.3198   3.59389      2.29618  6.11759     114.586     0           0           
1 1 1 15 21 39 o 18.3252 5.67654 1.66445      3.55292  3.70792      2.85271  8.33066     92.8264     2.09338     92.8264     
1 1 1 15 21 40 o 13.1946 4.46311 -0.695968    2.25312  -0.343909    2.84767  3.95306     176.73      2.32876     356.73      
1 1 1 15 21 41 o 15.8668 5.11266 0.121325     2.53089  3.22156      2.98382  10.3869     64.461      0.180258    244.461     
1 1 1 15 21 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 22 0  f 6.80805 3.45957 -2.82552     1.75462  -2.82552     1.75462  20.1567     90          0           0           
1 1 1 15 22 1  o 34.3444 4.51408 9.13221      2.28764  5.54709      2.27247  14.8928     345.288     31.2398     165.288     
1 1 1 15 22 2  o 18.3821 5.12456 2.11999      2.30348  0.981389     1.9814   5.28366     237.847     17.5939     57.847      
1 1 1 15 22 3  o 36.8969 4.88149 8.19962      2.67929  8.81631      2.66231  36.4252     214.947     9.06399     214.947     
1 1 1 15 22 4  o 60.0088 2.98561 19.3311      2.72604  21.9224      2.7485   51.7316     233.999     5.63824     53.999      
1 1 1 15 22 5  o 17.6782 4.97789 1.91816      2.07481  0.664231     2.04568  3.78313     283.581     19.1588     103.581     
1 1 1 15 22 6  o 17.1784 4.88355 -0.157154    2.06007  2.1185       2.06276  1.65456     204.247     22.9556     24.2473     
1 1 1 15 22 7  o 27.5598 4.98147 4.31256      2.13551  5.40923      2.12608  26.1273     57.8675     9.35312     57.8675     
1 1 1 15 22 8  o 21.8046 5.03193 2.27732      1.99639  3.58438      1.9522   10.9739     274.452     12.6871     94.4522     
1 1 1 15 22 9  o 29.812  4.70651 5.01546      2.12601  6.19489      2.09298  24.3633     139.071     1.43194     319.071     
1 1 1 15 22 10 o 14.5718 4.35101 1.39463      1.79386  -1.31206     1.78001  2.84615     309.104     3.41271     129.104     
1 1 1 15 22 11 o 20.6873 5.15279 3.01049      2.20082  2.15277      1.8825   12.7249     131.307     4.12381     311.307     
1 1 1 15 22 12 o 39.8487 3.73635 8.52005      2.26338  10.419       2.16922  31.3894     149.749     7.66641     329.75      
1 1 1 15 22 13 f 15.0212 4.39258 1.18011      1.71798  0.0606387    1.63355  33.2958     258.509     0           0           
1 1 1 15 22 14 o 24.1765 4.7622  3.40508      1.84151  4.08879      1.84644  13.7215     298.248     12.0615     118.248     
1 1 1 15 22 15 o 38.5718 3.74152 9.44453      2.15643  8.44626      2.16324  29.9898     334.711     7.97884     154.711     
1 1 1 15 22 16 o 14.6822 4.14245 1.72864      1.52483  -0.506508    1.50198  1.25415     92.9371     17.7494     272.937     
1 1 1 15 22 17 o 21.9463 4.66785 3.11717      1.77611  3.11237      1.63714  15.2686     344.958     3.2603      164.958     
1 1 1 15 22 18 o 12.0548 3.94924 -0.852087    1.98307  -0.914393    1.45051  0.382716    241.917     14.2927     241.917     
1 1 1 15 22 19 o 18.5169 4.59603 2.12583      1.51186  2.10056      1.73898  11.2354     187.307     4.02173     7.30739     
1 1 1 15 22 20 o 23.1314 5.70816 2.35441      2.03464  5.46105      2.99789  20.0184     54.0364     5.58659     54.0364     
1 1 1 15 22 21 o 38.1319 5.05707 8.25643      2.6831   11.5486      3.04183  41.1816     125.155     16.3022     125.155     
1 1 1 15 22 22 o 18.4969 5.64245 -0.640296    3.03369  2.92411      3.04734  8.44446     88.3315     12.4996     268.331     
1 1 1 15 22 23 o 27.1989 7.11987 10.2443      4.7338   3.32603      3.33947  24.3174     54.8872     4.37461     54.8873     
1 1 1 15 22 24 o 17.0744 5.452   0.837623     3.41419  0.164885     2.64605  8.96338     336.391     6.90474     156.391     
1 1 1 15 22 25 o 17.0664 5.31078 0.653762     2.6555   1.20102      2.75582  9.69271     66.3671     3.60092     246.367     
1 1 1 15 22 26 o 18.2256 5.5227  0.830282     2.796    2.46749      2.8001   11.747      203.325     0.431496    23.3251     
1 1 1 15 22 27 o 16.3683 5.25142 -0.746324    2.69166  1.49385      3.05513  9.83144     292.533     0.0893209   112.532     
1 1 1 15 22 28 o 22.9831 6.4242  5.34497      3.06046  3.74261      4.00799  7.48536     128.347     23.8658     308.347     
1 1 1 15 22 29 o 23.521  6.22488 6.29176      2.95819  3.1245       3.65256  18.3815     329.257     1.82827     149.257     
1 1 1 15 22 30 o 17.3158 5.53532 1.33266      2.75146  1.14939      3.59806  11.2607     114.37      3.07181     294.37      
1 1 1 15 22 31 o 17.679  5.4613  1.62716      2.76456  2.16358      2.86397  12.2109     129.891     0.789779    309.891     
1 1 1 15 22 32 o 16.6531 5.26394 0.618549     2.70586  1.91734      2.83428  9.48244     87.6862     5.21586     267.686     
1 1 1 15 22 33 o 18.2476 5.63306 3.72938      3.00101  0.714096     3.20037  13.2482     281.984     1.29175     281.984     
1 1 1 15 22 34 o 21.0826 5.98373 3.82528      2.87649  4.67789      3.05068  14.0719     116.882     4.80549     296.882     
1 1 1 15 22 35 o 16.4081 5.05697 6.26561      3.29774  -4.05268     1.75836  7.67765     58.3306     5.46476     238.331     
1 1 1 15 22 36 o 16.5883 5.31033 -2.06933     1.97077  5.64132      3.63948  5.16899     322.764     1.5139      142.764     
1 1 1 15 22 37 o 16.9783 5.42748 -0.457045    2.17731  5.01639      3.66226  5.24752     133.123     0.540809    133.123     
1 1 1 15 22 38 o 15.4345 4.96311 0.704928     2.22136  2.18203      2.89189  7.08921     127.621     0.830004    307.621     
1 1 1 15 22 39 o 16.3114 5.0398  3.5987       2.43056  -0.605243    2.88567  10.8665     290.594     1.82062     290.594     
1 1 1 15 22 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 23 0  o 21.9129 6.32871 3.94159      2.10094  3.94159      2.10094  19.2724     270         4.1163      270         
1 1 1 15 23 1  o 27.8004 5.17967 3.80014      2.50178  6.19131      2.14383  23.1075     344.316     1.49508     344.316     
1 1 1 15 23 2  o 16.6324 4.99045 -0.634468    2.32132  1.53461      2.25753  4.90944     103.187     1.6016      283.187     
1 1 1 15 23 3  o 16.315  4.96828 0.191832     2.24201  0.663837     2.28558  5.49721     327.147     4.40072     147.147     
1 1 1 15 23 4  o 15.3452 4.75472 -0.387225    1.87074  0.640003     2.39797  3.04094     187.867     12.659      7.86683     
1 1 1 15 23 5  o 14.4881 4.40162 -2.0503      1.92675  1.39443      1.91025  2.22067     155.362     11.9028     335.362     
1 1 1 15 23 6  o 19.7877 4.99562 3.02816      1.97731  1.49701      1.9525   7.9413      84.5512     14.064      264.551     
1 1 1 15 23 7  o 19.2749 4.9304  0.977652     2.00637  3.05894      1.93016  10.3243     196.361     1.33616     196.361     
1 1 1 15 23 8  o 18.3211 4.77205 0.58704      1.88472  2.83316      1.85881  4.59476     137.466     18.6557     317.466     
1 1 1 15 23 9  o 16.6874 4.61925 -0.179032    1.88766  2.25606      1.79779  5.31886     127.091     12.0936     307.091     
1 1 1 15 23 10 o 40.2345 3.66761 10.67        2.23095  8.80061      2.1904   31.0258     261.642     8.72119     81.642      
1 1 1 15 23 11 o 16.6391 4.57793 1.98338      1.74293  0.594252     1.70408  7.36897     260.013     4.3637      80.0132     
1 1 1 15 23 12 o 14.3634 4.34371 0.935761     1.59089  -0.570165    1.94555  3.61077     152.766     3.6374      332.766     
1 1 1 15 23 13 f 17.4541 4.51794 2.29255      1.63248  1.13471      1.59432  9.07637     80.9127     0           0           
1 1 1 15 23 14 o 11.0735 3.51781 -1.34231     1.32913  0.222284     1.26591  1.49668     100.044     14.7829     100.044     
1 1 1 15 23 15 o 16.9078 4.99477 0.730834     1.37673  2.0807       2.87956  7.65325     229.161     8.30336     49.161      
1 1 1 15 23 16 o 38.6232 5.10754 11.9257      3.80271  8.37321      1.95301  28.8958     177.788     9.97877     357.788     
1 1 1 15 23 17 o 30.3856 6.47254 8.5973       3.62865  6.00161      2.9386   30.8558     183.115     12.2298     183.115     
1 1 1 15 23 18 o 15.4671 5.1809  -1.50378     3.25119  -1.941       3.33697  6.99769     286.668     7.50544     106.668     
1 1 1 15 23 19 o 27.4003 6.36969 7.24853      2.92276  4.50251      3.76232  26.2016     18.9053     7.88701     18.9053     
1 1 1 15 23 20 o 19.1906 5.86073 2.0284       3.21911  1.57034      3.11026  13.696      161.008     5.32814     161.008     
1 1 1 15 23 21 o 31.5131 6.43859 12.0637      3.75966  4.46003      3.47353  29.4095     77.2633     6.22103     77.2633     
1 1 1 15 23 22 o 19.6687 5.68804 1.70339      2.71274  3.20474      2.80169  13.9548     93.3349     0.691824    93.3349     
1 1 1 15 23 23 o 15.0121 4.88156 0.733222     2.62076  -1.82952     2.66173  4.72905     225.048     0.0568656   45.0479     
1 1 1 15 23 24 o 18.6657 5.62789 2.01057      2.79142  2.04611      2.90734  11.7865     270.293     4.03561     90.2927     
1 1 1 15 23 25 o 34.1835 6.37643 9.85864      3.4768   9.72724      3.33322  21.9513     2.50315     15.2942     182.503     
1 1 1 15 23 26 o 21.0654 6.0295  3.85086      3.00025  3.39509      3.08218  14.2492     273.627     5.51476     93.6274     
1 1 1 15 23 27 o 17.3881 5.39141 1.17516      2.78702  1.93711      2.75728  12.8468     167.426     4.69642     167.426     
1 1 1 15 23 28 o 21.9086 5.97746 5.37559      2.92147  2.96403      2.94243  14.2658     341.554     6.79363     161.554     
1 1 1 15 23 29 o 44.8083 5.24311 17.1032      3.51156  13.3484      3.42948  44.9603     257.254     12.1513     257.254     
1 1 1 15 23 30 o 19.1387 5.44134 5.704        2.89175  -1.68535     2.89898  15.2348     64.6693     4.95372     64.6693     
1 1 1 15 23 31 o 15.0897 4.93145 -1.05077     2.70056  1.39196      2.74946  8.37543     246.69      0.722484    66.6897     
1 1 1 15 23 32 o 28.4305 6.6492  8.11796      3.292    8.52151      3.48172  25.5172     308.79      5.50783     308.79      
1 1 1 15 23 33 o 13.9178 4.75764 -1.00363     3.37192  -1.80119     2.76365  1.92605     172.265     1.34915     352.265     
1 1 1 15 23 34 o 17.8353 5.57336 -0.306755    3.60201  3.83293      2.93619  7.40135     5.03846     7.22067     185.038     
1 1 1 15 23 35 o 19.5655 5.69972 5.58731      2.83525  -0.0712937   3.76569  11.4715     4.241       3.81685     184.241     
1 1 1 15 23 36 o 19.7164 5.75028 0.815225     2.88475  7.12724      3.23239  13.3853     348.652     5.46064     348.652     
1 1 1 15 23 37 o 17.7407 5.73791 2.28876      2.94211  4.56241      4.04929  10.6385     329.443     4.86624     329.443     
1 1 1 15 23 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 24 0  o 28.8342 5.66002 5.85257      2.17376  5.85257      2.17376  15.8419     90          20.5525     270         
1 1 1 15 24 1  o 72.1714 2.97301 30.7364      3.48759  29.8433      3.08197  65.6817     339.512     2.08417     339.512     
1 1 1 15 24 2  f 26.595  5.82189 4.36934      2.74415  5.60773      2.57163  22.8891     121.539     0           0           
1 1 1 15 24 3  o 24.2145 4.99647 2.20225      2.17893  5.51035      2.07581  14.8092     327.519     9.62227     147.519     
1 1 1 15 24 4  o 33.2227 4.88923 7.80296      2.43285  6.71479      2.40801  24.0072     114.296     8.88794     294.296     
1 1 1 15 24 5  o 19.8998 5.10837 2.96855      2.11021  1.97817      1.94964  11.4533     317.64      6.47318     137.64      
1 1 1 15 24 6  o 20.3802 5.03916 2.34213      1.96076  2.99039      1.95276  14.2555     241.837     0.256842    241.837     
1 1 1 15 24 7  o 43.8794 3.5539  12.7732      2.36289  10.5437      2.33255  45.2828     209.812     14.1257     209.812     
1 1 1 15 24 8  o 14.228  4.35153 0.510964     1.77285  0.11535      1.73018  1.35391     285.162     17.1873     105.162     
1 1 1 15 24 9  o 17.7493 4.62285 2.97176      1.80857  0.366498     1.76509  10.1078     119.512     4.59501     299.512     
1 1 1 15 24 10 o 10.911  3.63661 -1.13132     1.69396  -1.39542     1.45576  0.727452    293.629     4.85493     113.629     
1 1 1 15 24 11 o 12.8139 3.99232 0.0482649    1.5393   -0.0451267   1.52672  3.04837     130.364     2.42325     310.364     
1 1 1 15 24 12 o 17.0919 4.37367 0.80793      1.54864  2.50903      1.54583  9.49806     275.125     6.17063     95.1254     
1 1 1 15 24 13 o 14.5426 4.5135  1.44497      2.5222   -0.0790016   1.18417  6.21112     243.711     7.14652     63.7111     
1 1 1 15 24 14 o 18.9621 5.51368 3.37196      2.66288  -0.0761788   2.83393  14.4603     349.745     2.42092     349.745     
1 1 1 15 24 15 o 58.2689 4.5299  25.5809      3.91803  18.9672      3.95064  52.109      285.015     0.79347     285.015     
1 1 1 15 24 16 o 21.9077 5.87265 4.30733      2.77315  2.59385      2.75204  9.98339     44.6539     15.8219     224.654     
1 1 1 15 24 17 o 17.3714 5.67955 1.09327      3.71966  -1.36046     3.44522  4.62409     104.911     1.79836     104.911     
1 1 1 15 24 18 o 15.8492 5.31535 0.102515     2.92144  -5.30294     4.61962  7.43204     63.5387     1.70954     243.539     
1 1 1 15 24 19 o 24.2961 6.53622 5.29114      3.40401  4.80764      3.36337  16.2304     164.168     6.17233     344.168     
1 1 1 15 24 20 f 18.3813 5.98078 0.325775     4.83196  1.22115      3.12867  13.8393     80.113      0           0           
1 1 1 15 24 21 o 34.1067 5.96224 10.4524      3.17112  7.98985      3.09674  33.5843     239.731     9.74708     239.731     
1 1 1 15 24 22 o 14.4687 4.84103 0.0325759    3.00998  -2.33275     2.68884  6.20859     344.904     1.51487     344.904     
1 1 1 15 24 23 o 18.8153 5.51552 4.39296      2.84668  -0.568472    2.87327  15.7697     58.0316     5.7071      58.0316     
1 1 1 15 24 24 o 37.3794 5.86451 14.7227      3.45171  8.17261      3.25437  40.2524     70.5289     17.1424     70.5289     
1 1 1 15 24 25 o 15.758  5.01735 2.54603      2.73781  -2.51359     2.72964  8.09739     75.0952     2.76454     75.0952     
1 1 1 15 24 26 o 16.3285 5.20088 1.84053      2.7777   0.00331539   2.791    8.7758      295.275     5.67219     115.275     
1 1 1 15 24 27 o 15.5599 5.06478 0.994496     2.82953  -0.21733     2.7813   8.91912     164.408     1.36875     344.408     
1 1 1 15 24 28 o 35.4032 6.10178 11.021       3.28025  10.8338      3.31193  32.6454     155.46      5.66516     155.46      
1 1 1 15 24 29 o 23.9267 6.07741 7.55496      3.03317  3.46624      3.0661   18.3128     81.168      1.20842     261.168     
1 1 1 15 24 30 o 13.4141 4.54032 -1.37076     2.67063  -0.970727    2.66434  3.24981     75.9689     2.93476     255.969     
1 1 1 15 24 31 o 15.7982 5.18634 0.31632      2.9849   0.941843     3.06841  3.92055     34.6665     1.33237     214.667     
1 1 1 15 24 32 o 18.7291 5.77354 2.523        3.10525  3.58197      3.16945  9.61727     148.563     2.68384     328.563     
1 1 1 15 24 33 o 18.1476 5.708   1.44563      3.77558  3.92362      2.99898  10.0922     70.6114     0.600366    250.611     
1 1 1 15 24 34 o 16.3559 5.47413 0.193637     3.70228  2.9974       3.68104  8.5805      165.341     0.047906    165.341     
1 1 1 15 24 35 o 21.7106 6.07054 3.09102      3.10351  7.99161      3.27752  12.6594     89.4977     9.12008     269.498     
1 1 1 15 24 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 25 0  o 8.99255 4.33024 -0.724416    1.83968  -0.724416    1.83968  0.557513    90.0001     7.59886     90.0001     
1 1 1 15 25 1  o 50.3367 4.7375  18.5079      3.06827  14.8494      3.81054  48.9606     326.031     9.70545     326.031     
1 1 1 15 25 2  o 21.3078 5.41258 3.09463      2.03669  3.20048      2.50688  7.45723     288.009     20.1614     108.009     
1 1 1 15 25 3  o 13.5248 4.29008 -1.20765     1.8205   0.61603      1.9454   5.3577      201.406     5.17081     21.406      
1 1 1 15 25 4  o 27.2148 5.17896 4.55515      2.2099   5.9144       2.25347  21.6488     185.737     2.03651     5.73662     
1 1 1 15 25 5  o 13.4568 4.2265  -0.500934    1.77903  0.383572     1.75086  4.64484     228.998     8.65313     48.9978     
1 1 1 15 25 6  o 14.0854 4.32368 -0.857898    1.80815  1.13487      1.79506  5.11495     29.8982     0.44738     29.8982     
1 1 1 15 25 7  f 16.4683 4.56778 2.60729      1.82449  -0.401171    1.87538  11.6215     173.549     0           0           
1 1 1 15 25 8  o 17.6566 4.74475 2.05809      1.79304  1.68703      1.77388  10.8106     175.96      4.68912     175.96      
1 1 1 15 25 9  o 17.8779 4.50209 -0.285596    1.70716  3.66081      1.86681  9.51406     121.515     8.24798     301.515     
1 1 1 15 25 10 o 23.0908 4.76356 3.4632       1.78118  3.90864      1.8189   17.1662     354.371     2.66611     174.371     
1 1 1 15 25 11 o 19.7744 4.80188 1.86413      1.5543   3.50823      2.00141  14.1154     3.45879     0.994831    183.459     
1 1 1 15 25 12 o 25.4949 4.31252 7.31161      1.69489  0.550779     2.61897  24.1187     206.334     8.18289     206.334     
1 1 1 15 25 13 o 56.3822 4.4294  24.6476      3.94081  17.5026      3.57036  64.2534     329.4       30.4924     329.4       
1 1 1 15 25 14 o 23.7348 6.18637 5.09865      2.97552  4.06454      3.01865  16.579      86.0955     3.91158     266.095     
1 1 1 15 25 15 o 33.2833 5.93876 5.97857      3.33853  11.7077      3.13252  29.6598     242.163     3.71091     242.163     
1 1 1 15 25 16 o 15.8647 5.37052 -3.59986     4.76481  -0.494756    2.96783  8.41369     71.7207     1.72938     251.721     
1 1 1 15 25 17 o 19.6489 6.47894 1.30558      4.92722  1.94088      4.69863  12.6024     219.906     3.99575     39.9062     
1 1 1 15 25 18 o 16.9499 5.5888  1.3361       3.05728  -2.63944     4.61909  8.14545     150.789     9.39562     330.789     
1 1 1 15 25 19 o 18.2696 5.46818 3.80787      2.84682  -0.286651    2.77072  11.0405     194.699     6.64178     194.699     
1 1 1 15 25 20 o 25.6477 6.28537 5.04124      2.9719   6.89032      3.12991  20.2329     275.289     1.27782     95.2889     
1 1 1 15 25 21 o 15.6268 5.05288 1.33739      2.74163  -0.907209    2.78739  5.23306     30.8685     13.1622     210.869     
1 1 1 15 25 22 f 16.5728 5.23414 2.36871      2.77811  -0.468059    2.82157  1.85934     346.206     0           0           
1 1 1 15 25 23 o 18.8891 5.68526 1.77976      2.92202  3.51965      2.93798  9.88597     71.9357     9.19653     251.936     
1 1 1 15 25 24 o 19.3458 5.7683  3.30412      2.90996  2.80378      2.97516  5.70796     181.191     19.4284     1.1908      
1 1 1 15 25 25 o 20.8039 5.91307 2.39373      2.95747  5.48474      3.02905  15.0645     339.11      1.20006     159.11      
1 1 1 15 25 26 o 23.0719 6.08986 3.17842      3.06628  7.12147      3.08684  9.62053     309.282     18.235      129.282     
1 1 1 15 25 27 o 20.0916 5.88484 3.22261      3.03737  4.27877      2.95567  12.4918     245.937     5.34618     245.937     
1 1 1 15 25 28 o 26.1209 6.3717  5.72877      3.11706  8.1202       3.20386  19.3182     0.770972    1.17585     180.771     
1 1 1 15 25 29 o 13.6276 4.60253 -1.28316     2.64153  -0.62716     2.76928  1.75411     1.43495     7.47002     181.435     
1 1 1 15 25 30 o 17.8612 5.54315 3.28412      2.92152  1.7868       2.99235  8.49037     49.284      5.762       229.284     
1 1 1 15 25 31 o 21.0342 5.8776  0.174181     3.26267  8.58136      3.34611  15.2153     245.183     1.28619     245.183     
1 1 1 15 25 32 o 14.5898 4.85625 1.71762      2.82129  -1.04065     2.89172  6.67889     280.817     4.63676     100.817     
1 1 1 15 25 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 26 0  o 13.1293 5.76247 1.26936      2.33094  1.26936      2.33094  0.711323    89.9998     0.370041    270         
1 1 1 15 26 1  o 41.7031 5.08481 13.4009      2.88083  10.8268      3.3087   43.1891     9.62115     15.8341     9.62115     
1 1 1 15 26 2  o 20.3418 5.20368 3.4704       2.03811  2.23881      2.24547  10.4794     67.8229     10.3831     247.823     
1 1 1 15 26 3  f 19.8143 5.11785 3.46304      2.06564  1.85856      2.09943  17.6741     274.023     0           0           
1 1 1 15 26 4  o 13.3721 4.15046 -1.97469     1.79167  1.30191      1.7631   3.59751     117.611     3.93483     297.611     
1 1 1 15 26 5  o 27.3814 4.89555 6.19489      2.09664  4.45091      2.07333  19.4977     203.632     5.89176     23.6322     
1 1 1 15 26 6  f 14.6315 4.41282 0.136636     1.77422  1.18243      1.77055  14.7358     90.992      0           0           
1 1 1 15 26 7  o 15.8906 4.58313 1.55272      1.78667  0.988249     1.76433  8.19154     330.887     3.08815     150.887     
1 1 1 15 26 8  o 46.8086 3.41723 14.3064      2.3509   12.8343      2.48168  44.2758     30.008      7.74814     30.008      
1 1 1 15 26 9  o 12.6234 4.08972 0.118682     1.5428   -1.52661     2.17467  2.12557     213.069     12.034      33.0686     
1 1 1 15 26 10 o 41.2335 3.84584 11.8876      2.32435  9.97434      2.40357  36.0615     315.027     1.23325     315.027     
1 1 1 15 26 11 o 53.9152 4.43829 20.5916      3.69294  18.6515      3.53767  60.8983     113.655     28.7245     113.655     
1 1 1 15 26 12 o 15.3245 4.93732 1.28491      2.61697  -1.45964     2.6452   7.49085     143.002     6.748       323.002     
1 1 1 15 26 13 o 31.8603 5.83635 11.7183      3.1495   5.11073      3.09437  31.9535     313.209     11.1853     313.209     
1 1 1 15 26 14 o 14.1104 4.78604 -2.27298     3.03562  -1.2975      2.97097  7.59009     125.975     2.43881     305.975     
1 1 1 15 26 15 o 22.859  6.48501 6.94316      3.73874  2.7759       3.4168   19.647      335.479     4.70147     335.479     
1 1 1 15 26 16 o 17.266  5.81611 3.15138      4.95834  -1.67211     3.08047  11.4266     263.059     3.14284     263.059     
1 1 1 15 26 17 o 13.7313 4.74965 -2.34556     2.51058  -2.43365     3.94945  4.21276     5.34098     0.314387    5.34097     
1 1 1 15 26 18 o 19.6189 5.79723 2.42411      2.87072  3.76489      3.00271  13.7111     89.0356     1.30391     269.036     
1 1 1 15 26 19 o 25.8824 6.06791 9.42851      3.2428   2.8454       3.13685  17.6655     154.629     6.60891     334.629     
1 1 1 15 26 20 o 30.8849 6.48015 9.85595      3.3443   8.06148      3.30927  32.5087     137.272     16.4742     137.272     
1 1 1 15 26 21 o 17.4663 5.45772 2.02054      2.89737  1.88715      2.87193  8.89064     89.2166     7.85084     269.217     
1 1 1 15 26 22 o 21.4194 5.99577 2.96783      3.05261  5.67648      3.00589  15.6541     133.435     0.943969    313.435     
1 1 1 15 26 23 o 27.032  6.36468 5.79527      3.13261  8.79675      3.22537  23.4505     281.64      4.96942     281.64      
1 1 1 15 26 24 o 17.5725 5.49263 1.86764      2.88298  2.44096      2.96611  7.58482     153.485     1.31932     153.485     
1 1 1 15 26 25 o 12.3298 4.24367 -0.498854    2.59322  -4.99324     2.66565  0.613128    22.3193     7.44809     202.319     
1 1 1 15 26 26 o 16.5637 5.17788 3.98258      2.85139  -2.76862     2.97327  5.87543     105.641     4.45696     285.641     
1 1 1 15 26 27 o 12.1893 4.21652 -0.885889    2.63987  -4.5301      2.69404  0.895628    59.3947     7.65419     239.395     
1 1 1 15 26 28 o 25.5448 6.38974 9.53766      3.32014  5.532        3.2711   20.4441     153.829     2.49379     153.829     
1 1 1 15 26 29 o 13.1982 4.51945 -2.41519     2.79058  0.138901     2.87598  4.20923     185.296     2.07098     5.29646     
1 1 1 15 26 30 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 26 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 27 0  o 9.13642 4.47778 -1.18183     2.17867  -1.18183     2.17867  1.12711     90          7.2148      270         
1 1 1 15 27 1  o 13.6945 4.32068 1.29537      1.82758  -2.75064     2.32705  7.11127     195.867     3.49939     15.867      
1 1 1 15 27 2  o 16.3016 4.78692 1.48691      1.97543  1.39286      1.97843  10.3585     44.2775     4.69074     44.2775     
1 1 1 15 27 3  o 20.3258 5.12591 4.56229      2.22057  1.47786      2.07384  13.7035     159.596     4.55159     339.596     
1 1 1 15 27 4  o 12.8836 4.13293 -0.945224    1.86235  0.388954     1.74959  4.98591     189.276     0.315757    189.276     
1 1 1 15 27 5  o 16.003  4.64579 2.11048      1.90137  0.568        1.83985  9.83946     163.313     3.0777      343.313     
1 1 1 15 27 6  o 13.7228 4.24272 0.100732     1.74054  0.749395     1.68138  3.30518     75.2457     1.00813     75.2457     
1 1 1 15 27 7  o 23.2723 4.90121 4.67384      1.93186  3.43888      1.87771  15.7833     205.814     6.11863     25.8143     
1 1 1 15 27 8  o 15.7884 4.50688 1.49403      1.81511  1.38399      1.56918  9.6823      20.248      2.35313     200.248     
1 1 1 15 27 9  o 17.4452 4.90211 2.442        1.60524  0.898122     2.75847  4.7912      173.673     17.8394     353.673     
1 1 1 15 27 10 o 14.1488 4.68665 -0.763398    2.5121   -0.439657    2.60994  6.61207     298.845     4.50359     118.845     
1 1 1 15 27 11 o 14.2015 4.70679 -0.378201    2.5592   -0.794263    2.62626  4.65761     56.7622     10.4233     236.762     
1 1 1 15 27 12 o 25.2422 6.5607  7.79397      3.40603  4.90596      3.51215  19.4922     133.459     0.619601    313.459     
1 1 1 15 27 13 o 16.3146 5.32427 -2.55743     3.15521  2.75775      3.3068   6.62415     45.3752     2.37023     45.3752     
1 1 1 15 27 14 o 18.6385 5.88412 2.28022      3.41909  2.54346      3.46225  13.0181     158.451     3.87309     158.451     
1 1 1 15 27 15 o 19.2821 6.03664 3.09236      3.85047  2.89779      3.26463  13.5882     208.229     5.51525     208.229     
1 1 1 15 27 16 o 19.6956 6.30432 5.68603      3.95586  -1.45352     5.4118   14.1041     234.408     1.39931     234.408     
1 1 1 15 27 17 o 16.4169 5.38978 1.75322      2.94787  -0.848812    3.88676  4.65625     291.083     1.90689     291.083     
1 1 1 15 27 18 o 13.9566 4.70158 -0.704197    2.762    -1.1245      2.81897  5.55089     12.3771     5.6251      192.377     
1 1 1 15 27 19 o 16.0665 5.2585  2.15311      3.29779  -0.527414    2.83067  6.28133     157.144     8.86897     337.145     
1 1 1 15 27 20 o 25.1078 6.3207  7.29203      3.11025  5.53809      3.1184   18.7359     232.978     11.7882     232.978     
1 1 1 15 27 21 o 14.8587 4.89982 -1.46287     2.73734  1.33708      2.82847  2.7502      76.7125     2.10814     256.712     
1 1 1 15 27 22 o 18.1471 5.56948 3.37153      2.88563  1.73069      2.95654  7.772       124.486     3.31264     304.486     
1 1 1 15 27 23 o 14.4705 4.83349 -0.526979    2.81524  0.0672906    2.84237  2.34599     331.454     2.22217     151.454     
1 1 1 15 27 24 o 17.5502 5.37293 5.10662      2.98093  -1.4711      2.9606   3.60452     255.403     1.03417     255.403     
1 1 1 15 27 25 o 14.5512 4.99663 1.96409      3.84283  -2.37245     2.90302  5.01226     90.0752     6.66609     270.075     
1 1 1 15 27 26 f 22.9252 6.30328 5.67143      3.23059  7.32323      3.22302  23.3039     298.16      0           0           
1 1 1 15 27 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 27 28 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 28 0  o 16.5781 7.17018 3.2355       3.48615  3.2355       3.48615  11.7493     90          1.5906      270         
1 1 1 15 28 1  o 13.0246 4.28606 -0.842365    1.82929  -0.0176951   2.29671  4.03957     329.915     7.83719     149.915     
1 1 1 15 28 2  o 37.7296 4.43034 9.01379      2.51254  10.9656      2.41777  31.149      7.7116      0.814753    187.712     
1 1 1 15 28 3  o 19.4179 5.08563 2.52159      2.0402   3.29268      2.02167  14.55       160.069     1.895       160.069     
1 1 1 15 28 4  o 13.7367 4.30141 0.24848      1.80779  0.613586     1.79874  3.48794     9.15375     0.248726    9.15374     
1 1 1 15 28 5  o 12.6864 3.99679 -1.7674      1.73814  1.1632       1.653    4.34254     43.7626     2.64982     223.763     
1 1 1 15 28 6  o 11.2596 3.69112 -0.0332204   1.59834  -1.15641     1.45786  1.82285     112.524     2.01542     292.524     
1 1 1 15 28 7  o 12.1054 3.9245  0.434462     1.4739   -2.0036      2.08853  2.68531     233.628     1.45487     53.6282     
1 1 1 15 28 8  o 12.225  4.20067 -1.4169      2.40936  -3.44264     2.65211  2.11961     236.362     1.00058     56.3616     
1 1 1 15 28 9  o 13.4668 4.55181 -2.84682     2.85973  -0.169987    2.57761  4.90563     352.378     1.46042     172.378     
1 1 1 15 28 10 o 18.7385 5.82063 2.31655      3.25588  3.29194      3.23492  11.3966     161.181     3.91541     341.181     
1 1 1 15 28 11 o 20.3567 6.10818 3.38862      3.38482  4.51022      3.30804  15.6986     55.6846     5.54998     55.6846     
1 1 1 15 28 12 o 24.4409 6.48749 5.01399      3.06389  7.67955      3.56832  18.64       312.671     0.14386     312.671     
1 1 1 15 28 13 o 19.7185 5.90758 2.65123      3.08883  4.38466      3.16775  13.5519     274.469     2.77718     274.469     
1 1 1 15 28 14 o 18.7297 5.67893 1.34239      3.05774  4.19977      2.98649  11.1648     250.197     0.618346    250.197     
1 1 1 15 28 15 f 19.1841 6.01866 4.14581      4.03216  2.61701      3.04498  19.5061     307.884     0           0           
1 1 1 15 28 16 o 15.438  5.15471 0.736839     2.84935  -1.16975     3.75181  2.63392     295.426     1.34169     115.426     
1 1 1 15 28 17 o 21.0987 6.01944 5.42951      3.05951  3.29881      3.08298  12.2179     331.041     0.64892     331.041     
1 1 1 15 28 18 o 16.5508 5.4737  1.39758      4.03821  0.928439     2.92293  2.15032     47.4584     0.398368    227.458     
1 1 1 15 28 19 o 15.6649 5.14555 0.799909     2.99948  0.779442     2.9722   5.13556     0.0103451   4.64683     180.01      
1 1 1 15 28 20 o 21.5505 6.04541 3.49443      3.08032  6.63523      3.10805  15.2866     127.143     4.27284     127.143     
1 1 1 15 28 21 o 18.2566 5.63794 3.95081      3.00155  2.77534      3.02236  10.7677     306.566     1.16666     126.566     
1 1 1 15 28 22 o 15.1777 5.08369 0.290845     2.91639  1.42672      3.39028  6.5468      119.217     6.06318     299.217     
1 1 1 15 28 23 f 13.3706 4.5886  -0.0398444   2.77203  -2.84025     3.30542  12.4504     0.365627    0           0           
1 1 1 15 28 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 29 0  o 15.3615 6.48725 2.68763      2.71603  2.68763      2.71603  7.56828     90          4.54506     270         
1 1 1 15 29 1  o 20.9504 5.58127 2.94241      2.20629  5.00722      2.70829  14.8575     240.392     2.24616     240.392     
1 1 1 15 29 2  o 12.2254 4.01156 0.29634      1.85041  -1.36395     1.80876  0.540538    185.549     0.907983    5.54947     
1 1 1 15 29 3  o 20.8209 5.19489 3.5101       2.12456  3.73945      2.03125  14.9047     121.111     4.73788     121.111     
1 1 1 15 29 4  o 12.5528 4.04701 -0.322471    1.81891  0.167863     1.65621  1.85874     84.7654     4.88317     264.765     
1 1 1 15 29 5  o 32.2078 4.47027 9.37607      2.21476  5.85083      2.06019  30.5499     115.062     10.8105     115.062     
1 1 1 15 29 6  o 19.6331 5.12684 4.14151      2.36649  2.32983      1.7265   11.3842     352.158     3.00842     172.158     
1 1 1 15 29 7  o 16.7889 5.37922 0.163869     2.98754  2.63455      3.07691  6.20914     357.478     1.83607     177.478     
1 1 1 15 29 8  o 20.9892 6.10016 2.18154      3.29492  6.28762      3.33817  9.70634     252.977     10.1093     72.9771     
1 1 1 15 29 9  o 20.8977 6.15105 5.49189      3.30856  3.21526      3.36165  11.9829     128.426     0.687603    308.426     
1 1 1 15 29 10 o 15.3859 4.98831 -1.16254     2.71019  2.06832      2.76978  2.60769     148.928     2.76029     328.928     
1 1 1 15 29 11 o 18.0908 5.29334 5.30124      2.80696  -1.97595     2.82412  7.17243     296.664     0.795325    116.664     
1 1 1 15 29 12 o 16.7125 5.3172  2.21748      2.83168  1.03532      2.94772  6.01165     73.8999     4.17376     253.9       
1 1 1 15 29 13 o 18.1827 5.68481 3.77422      3.16607  1.65268      3.18162  7.95747     301.879     6.78602     121.879     
1 1 1 15 29 14 o 15.0095 4.97041 0.726047     2.90937  0.212352     2.84753  4.24913     116.903     2.60214     296.903     
1 1 1 15 29 15 o 22.9589 6.69233 9.79122      4.39479  4.91951      3.21576  17.2178     232.188     6.18819     232.188     
1 1 1 15 29 16 o 14.9041 5.12482 -0.312371    3.51944  -0.210814    3.95755  5.63819     188.194     2.63717     8.19423     
1 1 1 15 29 17 o 18.254  5.73879 5.6329       3.49855  1.44644      3.04868  10.6111     235.702     3.78329     235.702     
1 1 1 15 29 18 o 14.717  4.90373 1.86083      2.93254  -1.01222     2.8892   7.35622     244.645     1.08693     64.6449     
1 1 1 15 29 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 29 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 30 0  o 22.0613 6.76707 4.96205      2.37513  4.96205      2.37513  10.6818     90          15.4915     270         
1 1 1 15 30 1  o 14.2795 4.6912  -0.527659    2.58482  0.946369     2.43678  3.02236     198.481     9.64549     18.4807     
1 1 1 15 30 2  o 42.3876 5.02943 14.7247      2.71304  13.5309      3.44949  48.0603     92.0574     29.8085     92.0574     
1 1 1 15 30 3  o 20.6186 5.02362 5.95629      2.16879  0.186535     2.8948   11.6811     162.439     5.74872     342.439     
1 1 1 15 30 4  o 18.0492 5.28906 1.23473      1.96483  4.83735      2.84508  9.25119     93.9928     1.04523     93.9928     
1 1 1 15 30 5  o 15.8105 5.12611 1.30987      2.59852  1.52434      3.06254  1.96969     89.0618     0.113444    89.0618     
1 1 1 15 30 6  o 16.0835 5.26959 1.10911      3.08722  1.98279      3.12167  6.4941      90.9817     1.07518     270.982     
1 1 1 15 30 7  o 18.5036 5.68112 -0.0252975   3.27518  6.13758      3.26592  7.92882     183.574     3.01401     183.574     
1 1 1 15 30 8  o 14.4484 4.80975 0.0288587    2.70197  0.793768     2.81035  4.79722     176.12      1.62868     356.12      
1 1 1 15 30 9  o 17.7086 5.52883 2.51653      2.89065  3.61186      3.02381  8.22489     267.393     7.9599      87.393      
1 1 1 15 30 10 o 11.9999 4.15466 -0.830056    2.56427  -3.55148     2.63646  2.80746     84.9886     5.06134     264.989     
1 1 1 15 30 11 o 17.1445 5.4444  3.10061      2.99962  2.23147      2.99852  8.90449     51.275      3.50513     51.275      
1 1 1 15 30 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 30 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 30 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 30 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 31 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 31 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 31 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 31 3  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 15 31 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 0  0  o 197.363 2.93443 212.521      8.90935  212.521      8.90935  232.32      180         51.8375     180         
1 1 1 16 0  1  o 92.7005 2.5384  47.0515      3.61117  47.0515      3.61117  117.681     270         41.9869     270         
1 1 1 16 0  2  o 255.676 2.04008 356.312      8.02976  356.312      8.02976  332.995     180         131.284     180         
1 1 1 16 0  3  o 57.6069 3.27969 18.4517      2.86461  18.4517      2.86461  57.3359     90          13.3101     90          
1 1 1 16 0  4  o 54.6172 3.42111 16.6545      2.823    16.6545      2.823    12.1824     180         88.8448     360         
1 1 1 16 0  5  o 57.0775 3.34399 18.1362      2.89109  18.1362      2.89109  36.8676     90          43.3242     270         
1 1 1 16 0  6  o 186.153 2.11315 188.972      6.05393  188.972      6.05393  253.428     360         117.917     360         
1 1 1 16 0  7  o 119.576 2.30912 78.101       4.24472  78.101       4.24472  152.607     270         55.4752     270         
1 1 1 16 0  8  o 100.13  2.441   54.8434      3.7536   54.8434      3.7536   145.488     9.13561e-07 82.1908     9.1356e-07  
1 1 1 16 0  9  o 26.7815 6.52377 5.10754      2.42151  5.10754      2.42151  17.3133     90          75.6496     90          
1 1 1 16 0  10 f 56.1319 3.35281 17.5567      2.84868  17.5567      2.84868  74.2453     180         0           0           
1 1 1 16 0  11 o 111.267 2.37247 67.6647      4.05659  67.6647      4.05659  128.609     90          25.3264     90          
1 1 1 16 0  12 o 9.56507 4.69147 -2.0609      2.40342  -2.0609      2.40342  24.6027     180         52.4167     180         
1 1 1 16 0  13 o 189.807 2.28809 196.535      6.68331  196.535      6.68331  169.57      270         55.8745     90          
1 1 1 16 0  14 f 144.162 2.21591 113.434      4.91393  113.434      4.91393  125.284     180         0           0           
1 1 1 16 0  15 f 128.785 2.2913  90.5818      4.53748  90.5818      4.53748  205.313     270         0           0           
1 1 1 16 0  16 o 118.134 2.35084 76.2653      4.26883  76.2653      4.26883  114.9       180         15.4186     360         
1 1 1 16 0  17 o 83.4983 2.851   38.3037      3.6462   38.3037      3.6462   90.6776     270         8.21686     270         
1 1 1 16 0  18 o 9.77911 4.80357 -2.23447     2.54406  -2.23447     2.54406  33.9801     180         74.1263     180         
1 1 1 16 0  19 o 149.401 2.51889 121.97       5.78755  121.97       5.78755  208.483     90          107.806     90          
1 1 1 16 0  20 o 45.5173 4.79814 12.085       3.14327  12.085       3.14327  36.6826     360         19.8978     180         
1 1 1 16 0  21 o 156.471 2.31368 133.74       5.56925  133.74       5.56925  163.235     90          3.44687     90          
1 1 1 16 0  22 o 28.2551 6.71571 5.66658      2.60899  5.66658      2.60899  2.08426     2.45551e-11 47.7097     180         
1 1 1 16 0  23 o 57.194  3.60036 18.3349      3.11043  18.3349      3.11043  50.3406     90          17.0047     270         
1 1 1 16 0  24 o 54.0131 3.80119 16.4672      3.08441  16.4672      3.08441  26.603      0           57.8427     180         
1 1 1 16 0  25 o 50.7041 4.08279 14.6635      3.08109  14.6635      3.08109  35.0225     270         34.0155     90          
1 1 1 16 0  26 o 18.7045 7.0741  2.83931      2.78437  2.83931      2.78437  1.42303     360         16.2645     360         
1 1 1 16 0  27 o 71.5274 3.67269 28.5735      3.99522  28.5735      3.99522  108.219     90          70.0717     90          
1 1 1 16 0  28 o 40.6733 4.13225 9.66698      2.43325  9.66698      2.43325  52.3146     180         23.159      180         
1 1 1 16 0  29 o 11.6671 5.23535 0.319308     2.04189  0.319308     2.04189  3.06387     270         11.8368     270         
1 1 1 16 0  30 o 40.4592 4.59052 9.75279      2.63946  9.75279      2.63946  62.8365     180         47.4034     180         
1 1 1 16 0  31 o 118.843 2.55685 77.7269      4.66935  77.7269      4.66935  126.178     270         10.7659     270         
1 1 1 16 0  32 o 59.4751 3.15413 19.8365      2.85048  19.8365      2.85048  63.4751     180         6.27149     180         
1 1 1 16 0  33 o 16.2218 6.00474 2.21213      1.97138  2.21213      1.97138  4.87527     90          3.50869     270         
1 1 1 16 0  34 o 51.5061 3.44559 15.0944      2.67324  15.0944      2.67324  70.2274     180         36.3546     180         
1 1 1 16 0  35 o 21.0827 6.30034 3.59695      2.06613  3.59695      2.06613  12.0484     270         17.4951     90          
1 1 1 16 0  36 f 21.807  6.30825 3.80874      2.08647  3.80874      2.08647  26.5633     180         0           0           
1 1 1 16 0  37 o 9.33978 4.45835 -0.716924    1.86619  -0.716924    1.86619  1.13249     270         12.8057     270         
1 1 1 16 0  38 o 11.0547 5.03978 0.189523     1.98683  0.189523     1.98683  1.16271     180         7.12885     8.65039e-06 
1 1 1 16 0  39 o 13.1877 5.55582 1.24008      1.98302  1.24008      1.98302  0.592457    270         0.566318    89.9999     
1 1 1 16 0  40 o 13.218  5.61073 1.2221       2.05201  1.2221       2.05201  1.31386     360         25.9412     360         
1 1 1 16 0  41 o 11.9807 5.37609 0.555781     2.15317  0.555781     2.15317  1.26795     270         9.12106     90          
1 1 1 16 0  42 o 22.7803 7.0339  4.56834      2.56471  4.56834      2.56471  17.8924     180         8.96019     8.6514e-06  
1 1 1 16 0  43 o 8.04493 4.02996 -2.30615     2.07328  -2.30615     2.07328  1.88619     90          8.14849     90          
1 1 1 16 0  44 o 10.0981 4.78111 -0.349983    2.0662   -0.349983    2.0662   4.38921     180         26.6917     180         
1 1 1 16 0  45 o 37.2413 5.71107 9.43973      2.87125  9.43973      2.87125  49.5333     90          25.7115     90          
1 1 1 16 0  46 o 14.7431 6.0178  2.03114      2.20518  2.03114      2.20518  10.2587     360         3.82749     180         
1 1 1 16 0  47 o 52.1581 3.46307 16.1536      2.72182  16.1536      2.72182  67.1323     270         32.085      270         
1 1 1 16 0  48 o 21.0057 6.98429 4.43277      2.53971  4.43277      2.53971  0.0297684   360         0.0241554   360         
1 1 1 16 0  49 o 10.802  5.22927 -0.661013    2.76117  -0.661013    2.76117  3.53012     270         1.09604     90          
1 1 1 16 0  50 o 12.6372 5.86282 0.857734     2.85852  0.857734     2.85852  4.74318     1.32253e-06 13.2702     180         
1 1 1 16 0  51 o 8.49761 4.25519 -2.0353      2.3044   -2.0353      2.3044   1.04725     90          13.6807     90          
1 1 1 16 0  52 o 8.81452 4.40746 -1.97556     2.44216  -1.97556     2.44216  0.123644    180         2.05403     180         
1 1 1 16 0  53 o 10.8947 5.21399 -0.0584603   2.58473  -0.0584603   2.58473  0.238955    90          3.55706     270         
1 1 1 16 0  54 o 12.5288 5.61155 1.46306      2.33329  1.46306      2.33329  3.43844     2.70082e-06 1.52649     180         
1 1 1 16 0  55 o 9.16652 4.50314 -0.84839     2.23734  -0.84839     2.23734  1.92808     90          4.28002     270         
1 1 1 16 1  0  o 66.0832 2.98611 24.1044      3.00988  24.1044      3.00988  61.2253     4.75437e-06 13.1824     180         
1 1 1 16 1  1  o 72.3056 2.87326 28.5257      3.17106  28.7563      3.20155  18.4721     348.783     105.039     168.783     
1 1 1 16 1  2  o 192.695 2.0951  205.22       6.22119  199.777      6.21166  209.352     140.669     21.6307     140.669     
1 1 1 16 1  3  o 112.987 2.34761 67.6535      4.05131  71.7905      4.10766  119.255     330.907     12.565      330.907     
1 1 1 16 1  4  o 216.108 2.07219 261.302      6.90621  248.147      6.88275  248.566     138.633     50.7497     138.633     
1 1 1 16 1  5  o 68.5158 3.02059 26.9897      3.318    24.532       3.02595  52.7115     261.434     23.5981     81.4339     
1 1 1 16 1  6  o 178.011 2.11889 171.71       5.81878  173.936      5.79737  209.837     57.3004     54.1515     57.3004     
1 1 1 16 1  7  o 173.261 2.13367 167.963      5.69836  159.548      5.68454  191.297     197.711     26.5097     197.711     
1 1 1 16 1  8  o 333.447 2.0113  601.405      10.3286  611.246      10.3257  379.341     280.685     65.5378     280.685     
1 1 1 16 1  9  o 34.1702 4.85767 6.91924      2.46543  6.36958      2.4689   3.81037     275.918     38.705      95.9182     
1 1 1 16 1  10 o 50.5128 3.58223 14.1697      2.75778  14.0361      2.73992  23.4915     328.704     44.6672     148.704     
1 1 1 16 1  11 o 230.707 2.06018 289.544      7.32374  291.032      7.31433  235.414     213.725     6.36568     33.7247     
1 1 1 16 1  12 o 177.02  2.2208  166.949      5.80287  175.019      6.30344  224.049     283.869     85.6631     283.869     
1 1 1 16 1  13 o 91.391  2.5359  42.3076      3.5394   49.1611      3.57128  91.42       66.5019     2.43715     66.502      
1 1 1 16 1  14 o 113.558 2.43482 72.4948      4.38688  68.4569      4.11947  118.094     314.807     7.86293     314.807     
1 1 1 16 1  15 o 102.412 2.5414  55.7441      4.1184   58.9779      3.87145  84.2562     287.741     37.1935     107.741     
1 1 1 16 1  16 o 136.188 2.32167 96.3158      4.98973  106.382      4.71665  158.337     95.3956     40.7973     95.3956     
1 1 1 16 1  17 o 100.759 2.61943 54.0334      4.06301  57.0859      4.04885  103.662     130.554     5.8364      130.554     
1 1 1 16 1  18 o 78.2387 3.17575 30.6053      3.79205  36.7911      3.80325  63.7326     46.0569     27.4125     226.057     
1 1 1 16 1  19 o 40.1928 4.79907 9.43879      2.85704  8.87984      2.87026  29.8887     107.482     7.03417     107.482     
1 1 1 16 1  20 o 167.034 2.27752 150.561      5.85987  154.343      5.85562  186.652     102.299     31.2585     102.299     
1 1 1 16 1  21 o 73.4431 2.81595 28.0322      3.16648  31.2723      3.1718   64.48       40.2592     16.4352     220.259     
1 1 1 16 1  22 o 14.9599 4.77945 -1.17763     2.3447   -1.23377     2.34839  13.9739     84.8462     38.7682     84.8462     
1 1 1 16 1  23 o 59.4567 3.61068 17.5274      3.16556  21.8409      3.36935  47.6584     60.3549     19.297      240.355     
1 1 1 16 1  24 o 16.7712 5.20102 0.732436     2.716    -2.69293     2.64175  11.481      5.07711     36.8936     5.07711     
1 1 1 16 1  25 o 37.4007 5.06418 5.77158      2.62197  10.7376      3.00031  9.99213     277.93      48.815      97.9297     
1 1 1 16 1  26 o 16.9585 5.06058 0.467751     2.29398  0.047494     2.23735  1.59444     297.203     8.58869     297.203     
1 1 1 16 1  27 o 70.9093 2.97246 24.3948      3.1689   31.514       3.26241  70.8568     121.679     1.18764     121.679     
1 1 1 16 1  28 o 32.0161 5.18084 8.5569       2.66965  3.78531      2.45958  15.8648     193.994     26.6909     13.9943     
1 1 1 16 1  29 o 16.9633 5.07201 0.869879     2.27807  -0.421019    2.33595  13.5536     90.8938     55.7821     90.8938     
1 1 1 16 1  30 o 19.6893 5.20273 1.18374      2.05813  2.37537      2.22019  8.4155      338.974     12.1651     158.974     
1 1 1 16 1  31 o 27.0653 5.17486 5.15824      2.22388  3.63226      2.23484  5.73301     338.333     39.2744     158.333     
1 1 1 16 1  32 o 28.2868 5.04805 2.59171      2.40755  7.01791      2.27528  13.3725     227.653     25.9461     47.6531     
1 1 1 16 1  33 o 17.0604 4.91322 1.05452      2.10321  0.676534     1.9582   5.34694     195.305     39.8838     195.305     
1 1 1 16 1  34 o 57.327  3.04483 18.0769      2.71058  18.9826      2.62105  63.7161     183.046     14.543      183.046     
1 1 1 16 1  35 o 52.4368 3.18532 16.7139      2.54502  14.528       2.53831  48.8184     267.107     5.72182     87.1069     
1 1 1 16 1  36 o 16.0625 4.71668 -0.167515    1.93961  1.23183      1.96374  8.00435     103.928     6.96031     283.928     
1 1 1 16 1  37 o 62.8932 2.97322 24.1995      2.75965  20.7388      2.93268  64.0216     178.781     3.16953     178.781     
1 1 1 16 1  38 o 42.1256 3.91179 13.4362      2.41127  7.89341      2.37766  38.6766     296.867     4.6104      116.867     
1 1 1 16 1  39 o 13.6869 4.35476 -1.15541     1.94564  -0.0583299   1.93542  3.02258     112.481     11.1303     292.482     
1 1 1 16 1  40 f 28.0367 4.79953 2.30262      2.26302  7.79794      2.21083  16.0096     76.6605     0           0           
1 1 1 16 1  41 o 24.5319 5.33739 4.86631      2.33365  3.04075      2.15026  18.0178     322.401     7.30485     142.401     
1 1 1 16 1  42 o 44.0647 4.20659 10.539       2.69204  13.5229      2.84767  27.3072     57.8668     30.9546     237.867     
1 1 1 16 1  43 o 14.8838 4.66428 -1.81314     2.16289  1.21484      2.25368  7.22191     137.36      4.57008     317.36      
1 1 1 16 1  44 o 46.7268 3.84414 10.8045      2.57237  16.5316      2.77291  62.3127     105.518     35.3276     105.518     
1 1 1 16 1  45 o 35.6101 5.68033 10.619       3.00133  7.90233      3.11387  35.9156     70.5636     4.58984     70.5636     
1 1 1 16 1  46 o 23.2727 5.42224 5.14454      2.27652  2.7299       2.4492   12.0869     280.274     18.2951     100.274     
1 1 1 16 1  47 o 15.8276 4.83983 -0.0659231   2.21361  1.63378      2.19398  5.65798     92.2901     15.4057     272.29      
1 1 1 16 1  48 f 31.0081 5.87703 9.4518       2.79369  6.22766      3.18927  22.1189     275.132     0           0           
1 1 1 16 1  49 o 18.6623 5.39291 2.46391      2.2667   2.52612      2.66113  10.3774     168.957     12.0895     348.957     
1 1 1 16 1  50 o 17.5766 5.29013 3.49514      2.67953  0.115911     2.54219  10.4329     164.691     8.9147      344.691     
1 1 1 16 1  51 o 12.1078 4.12194 -2.16302     2.29075  -1.22773     2.26076  4.67549     222.788     0.833081    42.7879     
1 1 1 16 1  52 o 22.3967 5.70332 4.91862      2.43701  4.24038      2.63348  15.4681     307.194     7.74        127.194     
1 1 1 16 1  53 o 14.973  4.85331 1.61966      2.68978  -0.56045     2.38151  4.01414     30.6449     1.15096     210.645     
1 1 1 16 1  54 o 14.2655 4.6728  -0.866607    2.78865  1.21251      2.26598  3.08722     105.369     0.305689    105.369     
1 1 1 16 1  55 o 17.3681 5.20079 1.78062      2.4014   3.57488      2.473    12.583      19.2749     3.26314     199.275     
1 1 1 16 2  0  o 48.6183 3.77689 13.361       2.74082  13.361       2.74082  25.363      360         4.96917     360         
1 1 1 16 2  1  o 84.3026 2.63348 39.3545      3.40526  38.387       3.41472  73.56       119.415     16.8053     299.415     
1 1 1 16 2  2  o 137.538 2.22153 107.185      4.72376  99.2545      4.68261  156.618     159.229     34.6143     159.229     
1 1 1 16 2  3  o 109.55  2.459   63.6072      3.99042  67.5334      4.29621  94.0245     290.956     32.4734     110.956     
1 1 1 16 2  4  o 140.775 2.4517  106.524      5.13096  109.843      5.49244  162.447     100.857     39.1819     100.857     
1 1 1 16 2  5  o 254.699 2.04311 355.135      8.0177   352.38       8.00876  238.369     154.505     51.7268     334.505     
1 1 1 16 2  6  f 81.2796 2.68347 40.4129      3.34717  32.1193      3.32033  109.57      337.183     0           0           
1 1 1 16 2  7  o 77.0839 2.73991 30.5147      3.23943  34.6048      3.23384  46.171      303.655     59.7541     123.655     
1 1 1 16 2  8  o 66.6723 3.14365 23.2689      3.08548  25.5667      3.33427  58.0772     251.437     9.47825     71.4368     
1 1 1 16 2  9  o 171.408 2.20399 153.586      5.6135   167.109      6.02363  129.641     196.223     94.2307     16.223      
1 1 1 16 2  10 f 54.3469 3.50081 17.4467      2.97855  15.1799      2.81472  48.3377     99.5358     0           0           
1 1 1 16 2  11 o 177.57  2.29612 174.575      6.69401  169.528      5.84548  186.924     221.704     8.89606     221.704     
1 1 1 16 2  12 o 110.858 2.56704 69.6472      4.34391  64.7347      4.40179  78.773      286.292     67.2589     106.292     
1 1 1 16 2  13 o 114.447 2.36749 73.5157      4.16708  69.61        4.16636  105.103     346.447     20.9793     166.446     
1 1 1 16 2  14 o 130.933 2.27882 88.446       4.57534  98.8814      4.60031  130.883     170.634     3.96088     350.634     
1 1 1 16 2  15 o 67.5928 2.98042 23.5421      3.0696   26.6632      3.0959   51.4928     226.126     26.0503     46.1262     
1 1 1 16 2  16 o 18.3483 5.26535 0.269841     2.33086  1.19758      2.33963  7.19392     356.107     20.3946     356.107     
1 1 1 16 2  17 o 40.4149 4.62814 9.14217      2.75719  9.29227      2.80661  5.21913     9.30316     1.67468     9.30316     
1 1 1 16 2  18 o 59.157  3.64687 20.1227      3.28909  18.5815      3.28442  50.8338     347.422     10.086      167.422     
1 1 1 16 2  19 o 138.469 2.6723  108.578      5.44376  101.383      5.91044  142.418     50.5961     2.37996     50.5956     
1 1 1 16 2  20 o 272.868 2.37853 405.178      9.18964  408.83       10.7443  271.365     355.302     19.0892     175.302     
1 1 1 16 2  21 o 21.8746 5.52435 1.92775      2.32774  2.66356      2.38975  4.7834      202.873     33.49       202.873     
1 1 1 16 2  22 o 56.9455 4.1842  16.0288      3.61727  20.3172      3.55653  69.1685     56.5885     43.9227     56.5885     
1 1 1 16 2  23 o 55.3064 4.25833 21.6317      3.51895  13.1645      3.43377  36.1388     294.758     33.959      114.758     
1 1 1 16 2  24 o 46.7946 4.83529 14.8796      3.37662  10.2574      3.30109  43.1372     329.195     3.31741     329.195     
1 1 1 16 2  25 o 95.8123 2.4099  52.1018      3.53416  48.7239      3.56156  97.2428     149.562     2.29967     149.562     
1 1 1 16 2  26 o 88.1859 2.46472 43.5095      3.32243  42.0191      3.35689  68.1077     302.579     41.1278     122.579     
1 1 1 16 2  27 o 17.5252 4.87182 -1.14082     2.06871  2.31189      2.12527  0.107152    181.205     7.20535     181.205     
1 1 1 16 2  28 o 61.6996 3.59441 23.8581      3.48001  18.965       3.27391  33.8287     48.8121     55.4279     228.812     
1 1 1 16 2  29 o 30.4941 5.28771 8.18613      2.43227  2.71585      2.88103  22.466      253.904     10.1454     73.9044     
1 1 1 16 2  30 o 45.3074 3.87093 11.3093      2.6596   12.1182      2.62746  38.015      233.599     12.5901     53.5988     
1 1 1 16 2  31 o 31.9726 4.52199 6.48043      2.14958  5.59562      2.14671  26.2596     259.476     6.81961     79.4755     
1 1 1 16 2  32 o 16.1096 4.75998 0.405873     1.93084  0.552139     2.01334  3.64177     73.3211     12.228      253.321     
1 1 1 16 2  33 o 71.0378 2.87114 30.1402      3.10274  26.437       3.13867  80.4085     244.977     19.5576     244.977     
1 1 1 16 2  34 f 16.9306 4.90589 1.12045      2.0449   0.464379     2.04972  41.0915     335.442     0           0           
1 1 1 16 2  35 o 53.6269 3.28091 17.4186      2.78707  15.3331      2.57934  60.0236     82.8054     14.7932     82.8054     
1 1 1 16 2  36 o 26.3913 5.1917  4.2222       2.24871  4.43185      2.12835  17.5385     131.457     14.1304     311.457     
1 1 1 16 2  37 o 31.9023 4.89656 5.53784      2.46754  7.0838       2.21036  21.1206     44.2058     19.1787     224.206     
1 1 1 16 2  38 o 29.3128 5.03661 5.27033      2.32635  5.59818      2.17882  30.4492     206.324     7.51716     206.324     
1 1 1 16 2  39 o 19.2009 5.1319  1.34018      2.13716  2.4761       2.07128  10.9723     306.823     9.40608     126.823     
1 1 1 16 2  40 o 25.8871 5.14869 2.66892      2.32956  5.9103       2.19721  16.4084     157.677     14.447      337.677     
1 1 1 16 2  41 o 38.8715 4.46265 12.7236      2.50734  6.44335      2.47158  38.5518     220.083     3.29418     220.083     
1 1 1 16 2  42 o 44.1453 4.2225  9.78771      2.73622  14.5101      2.73828  48.0275     99.5817     11.4943     99.5817     
1 1 1 16 2  43 o 18.5173 4.86658 3.92341      2.16568  -1.64377     2.32017  10.9651     195.894     9.13039     15.8936     
1 1 1 16 2  44 o 15.1871 4.84216 1.20995      2.57351  -1.95419     2.32955  7.06968     330.174     2.03607     330.174     
1 1 1 16 2  45 o 19.937  5.78774 1.79281      2.56685  3.18925      3.11501  13.9183     125.465     6.64781     305.465     
1 1 1 16 2  46 o 13.0998 4.35684 0.0012879    2.28678  -3.5376      2.38389  5.31663     306.254     5.10236     126.254     
1 1 1 16 2  47 o 26.3104 5.7698  7.14119      2.65591  3.82279      2.80345  22.3451     325.253     3.12904     145.253     
1 1 1 16 2  48 o 15.5248 4.81429 0.233481     2.19632  1.32384      2.23964  11.6853     166.731     1.51611     346.731     
1 1 1 16 2  49 o 26.2656 5.6819  6.32704      2.55437  5.11393      2.49557  18.6048     301.21      11.2183     121.21      
1 1 1 16 2  50 o 13.882  4.51343 1.17678      2.29203  -2.1835      2.30761  8.30048     346.395     2.39833     166.395     
1 1 1 16 2  51 o 13.7869 4.6026  -1.3457      2.58476  -0.0443237   2.55302  7.16013     188.825     1.07607     188.825     
1 1 1 16 2  52 o 13.4248 4.40925 -1.63478     2.22812  0.769674     2.23867  4.95342     87.3245     6.30814     267.324     
1 1 1 16 2  53 o 15.531  4.87695 0.370236     2.31787  1.86474      2.38329  6.8694      90.2573     3.64941     270.257     
1 1 1 16 2  54 o 16.6171 5.06787 3.48573      2.47504  0.495278     2.42767  8.12316     252.983     3.10738     252.983     
1 1 1 16 2  55 o ?       ?       ?            ?        ?            ?        10.7888     260.629     0           0           
1 1 1 16 3  0  o 115.515 2.69319 72.9859      4.77886  72.9859      4.77886  127.122     6.1149e-06  13.1262     6.1149e-06  
1 1 1 16 3  1  o 80.6311 2.69815 37.0177      3.33327  34.1588      3.34329  98.2201     234.528     52.0431     234.528     
1 1 1 16 3  2  o 114.984 2.43089 72.5512      4.45358  71.8702      4.14077  77.1923     15.187      79.1465     195.187     
1 1 1 16 3  3  o 128.167 2.27851 91.3192      4.51024  87.9822      4.47924  167.602     274.954     79.0221     274.954     
1 1 1 16 3  4  o 115.71  2.343   72.2937      4.15106  73.9293      4.18983  148.937     52.6467     68.6607     52.6467     
1 1 1 16 3  5  o 60.2643 3.31865 21.8385      2.99229  18.1997      3.08688  40.8099     305.742     30.0608     125.742     
1 1 1 16 3  6  o 91.0686 2.65611 44.364       3.8196   46.3587      3.60454  69.422      7.49847     42.975      187.498     
1 1 1 16 3  7  o 60.6925 3.40111 19.4544      3.30538  21.1083      2.97039  62.8085     161.079     27.7697     161.079     
1 1 1 16 3  8  o 61.8023 3.23332 23.781       3.1787   18.3864      2.92019  49.1578     105.752     16.5323     285.752     
1 1 1 16 3  9  o 111.277 2.39874 70.2395      4.09682  65.0849      4.10923  126.342     168.276     29.9623     168.276     
1 1 1 16 3  10 o 104.905 2.4344  64           3.95523  56.3746      3.89106  133.597     34.5464     60.8788     34.5464     
1 1 1 16 3  11 o 20.9844 5.41684 3.04634      2.34398  0.416652     2.43077  14.0499     79.0201     42.9492     79.0201     
1 1 1 16 3  12 o 104.572 2.44875 58.9509      3.93953  60.5692      3.93543  120.371     33.0054     33.3215     33.0054     
1 1 1 16 3  13 o 62.4553 3.15544 19.0418      2.99089  23.9823      3.00751  28.8625     53.0559     62.3236     233.056     
1 1 1 16 3  14 o 98.9841 2.71659 47.0666      4.12675  60.5814      4.08242  102.745     116.296     9.27686     116.296     
1 1 1 16 3  15 o 222.614 2.14818 274.531      7.14494  266.372      7.56918  225.634     298.983     6.89144     118.983     
1 1 1 16 3  16 o 14.2622 4.66289 -2.06851     2.30203  -1.81893     2.50827  3.1642      337.632     7.64649     337.632     
1 1 1 16 3  17 o 22.6813 5.53875 4.30806      2.55178  -0.176139    2.67113  5.21137     133.063     26.9466     133.063     
1 1 1 16 3  18 o 110.15  2.71603 64.3525      4.62554  68.5548      4.5686   122.319     161.343     22.7798     161.343     
1 1 1 16 3  19 o 23.2449 5.74447 2.59678      2.5575   2.79162      2.50789  0.276647    61.2854     21.6615     61.2853     
1 1 1 16 3  20 o 16.7691 5.19696 -1.32567     2.67428  0.0263929    2.50637  20.4495     195.658     60.1465     195.658     
1 1 1 16 3  21 o 29.1809 5.68916 5.58219      2.66097  4.22545      2.64533  5.88376     159.553     31.9507     339.553     
1 1 1 16 3  22 o 63.9157 3.8865  23.2988      3.77869  22.1251      3.79477  43.2423     313.021     38.722      133.021     
1 1 1 16 3  23 o 138.664 2.79441 102.166      5.9556   109.103      5.96111  162.072     190.619     43.4272     190.619     
1 1 1 16 3  24 o 62.5328 3.47985 26.6821      3.26563  17.2505      3.25115  65.2014     179.909     10.6461     179.909     
1 1 1 16 3  25 o 125.91  2.33168 79.2867      4.59264  94.9456      4.39507  133.204     166.97      11.6506     166.97      
1 1 1 16 3  26 o 59.1083 3.20336 19.0997      2.89951  19.7259      2.88657  56.5949     133.664     1.71806     313.664     
1 1 1 16 3  27 o 59.7182 3.12455 17.6314      2.85135  22.1539      2.81866  50.6065     138.306     16.3845     318.306     
1 1 1 16 3  28 o 44.3931 3.75781 13.557       2.42335  8.98339      2.48951  37.1268     48.287      11.1674     228.287     
1 1 1 16 3  29 o 45.5254 3.56855 10.5593      2.49951  12.9318      2.37654  48.4431     171.915     8.97486     171.915     
1 1 1 16 3  30 o 82.0661 2.75418 39.365       3.45922  35.4953      3.47368  81.3231     306.753     2.12502     126.753     
1 1 1 16 3  31 o 22.8987 5.33447 4.43851      2.28004  1.02903      2.43799  9.89852     309.066     4.34482     309.066     
1 1 1 16 3  32 o 79.144  2.81968 37.8167      3.14391  32.2042      3.62714  78.1996     318.333     1.91666     138.333     
1 1 1 16 3  33 o 33.7319 4.51104 5.96326      2.19251  7.62289      2.32092  32.1096     143.173     1.49411     143.173     
1 1 1 16 3  34 o 49.6013 3.51432 12.5413      2.59891  15.6777      2.67514  47.3434     233.965     2.44441     53.9646     
1 1 1 16 3  35 o 53.3828 3.30611 16.0408      2.65422  16.426       2.72651  50.4174     99.5108     4.40942     279.511     
1 1 1 16 3  36 o 24.5889 5.22363 4.10489      2.18515  3.3697       2.09716  26.4782     251.005     14.9084     251.005     
1 1 1 16 3  37 o 19.6903 5.11163 2.65636      2.07056  1.45618      2.04218  15.4744     77.1781     1.23776     257.178     
1 1 1 16 3  38 o 16.6124 4.8345  0.345164     1.99655  1.34287      2.01981  6.40231     165.865     1.17575     165.865     
1 1 1 16 3  39 o 24.6454 5.41276 3.73516      2.45577  4.09252      2.11088  9.53995     267.843     26.3405     87.8427     
1 1 1 16 3  40 o 44.0591 3.98378 10.2154      2.69491  13.1447      2.49771  36.4131     214.725     12.4525     34.7247     
1 1 1 16 3  41 o 23.3656 5.31517 4.37198      2.23126  2.73135      2.18226  16.9792     270.654     6.71381     90.6538     
1 1 1 16 3  42 o 23.9914 5.7307  2.86211      2.3459   5.09214      2.73918  12.7702     109.395     17.8715     289.395     
1 1 1 16 3  43 o 16.7877 4.8167  2.65176      2.11652  -1.09251     2.15794  4.12637     295.682     20.641      115.682     
1 1 1 16 3  44 o 15.8041 4.97694 -0.819897    2.57334  1.01128      2.41019  6.45115     16.6519     13.677      196.652     
1 1 1 16 3  45 o 25.785  5.50951 6.42642      2.4801   3.36348      2.47699  22.8469     44.6469     1.10472     224.647     
1 1 1 16 3  46 o 21.668  5.80782 5.22163      2.8146   1.25842      2.93304  20.4614     285.932     7.53125     285.932     
1 1 1 16 3  47 o 24.0017 5.41799 2.6269       2.36237  6.19314      2.4477   18.2856     176.136     6.91588     356.136     
1 1 1 16 3  48 o 20.0158 5.4611  2.47324      2.57156  3.51249      2.28322  14.9607     223.216     5.44748     43.2163     
1 1 1 16 3  49 o 17.3539 5.24157 2.17581      2.64096  1.49831      2.31067  11.0998     275.437     7.08413     95.4374     
1 1 1 16 3  50 o 17.6427 5.17792 2.58886      2.27646  1.64297      2.38849  14.6382     359.655     6.52667     359.655     
1 1 1 16 3  51 o 14.484  4.64916 0.147371     2.25657  0.691397     2.25324  7.25932     13.0491     2.36035     13.0491     
1 1 1 16 3  52 o 24.084  5.79122 7.12551      2.71944  3.57448      2.73667  19.7801     198.055     1.41926     18.055      
1 1 1 16 3  53 o 16.7324 4.94625 -0.566782    2.31575  3.65536      2.33988  8.29525     305.063     7.79999     125.063     
1 1 1 16 3  54 o 15.8973 4.9706  1.5482       2.31834  2.03711      2.47194  10.2213     237.595     1.00444     57.5955     
1 1 1 16 3  55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 4  0  o 57.7478 3.29205 18.545       2.88232  18.545       2.88232  30.8231     180         57.9471     8.66069e-06 
1 1 1 16 4  1  o 101.615 2.51785 52.4505      3.80867  60.5455      4.05746  93.0646     225.721     17.0539     45.7206     
1 1 1 16 4  2  o 106.211 2.50381 62.578       4.23827  60.7024      3.9387   62.7993     23.4214     89.6367     203.421     
1 1 1 16 4  3  o 74.7241 3.01823 30.5418      3.70769  30.6742      3.18732  71.8825     165.666     1.52934     165.666     
1 1 1 16 4  4  o 143.419 2.28581 114.295      5.18221  110.163      4.91429  156.542     119.481     20.8379     119.481     
1 1 1 16 4  5  o 233.704 2.06817 294.562      7.41635  301.197      7.46925  236.751     112.106     9.71903     292.106     
1 1 1 16 4  6  o 96.6007 2.6051  51.7709      3.7095   50.2727      4.01519  108.342     357.93      26.2695     357.93      
1 1 1 16 4  7  o 118.967 2.43027 76.0886      4.5969   78.5323      4.28668  138.935     225.358     38.9632     225.358     
1 1 1 16 4  8  o 136.269 2.33392 98.7446      5.02623  104.002      4.75066  137.52      305.897     2.27332     125.896     
1 1 1 16 4  9  o 119.756 2.36575 76.3352      4.38705  80.3345      4.32584  111.924     219.941     18.5492     39.9411     
1 1 1 16 4  10 o 177.233 2.14381 180.314      5.8553   162.616      5.8357   191.541     221.234     19.7617     221.234     
1 1 1 16 4  11 o 161.88  2.43694 147.729      5.89083  138.427      6.23744  214.226     213.719     99.7505     213.719     
1 1 1 16 4  12 o 153.079 2.34223 120.697      5.14344  135.308      5.90266  188.031     217.668     65.3289     217.668     
1 1 1 16 4  13 o 159.678 2.25893 143.221      5.39721  135.14       5.6953   173.355     30.9678     21.1521     30.9678     
1 1 1 16 4  14 o 121.686 2.44443 79.4329      4.75114  82.4292      4.38489  140.576     164.09      36.9312     164.09      
1 1 1 16 4  15 o 68.1409 3.0593  21.6378      3.17545  29.6875      3.14136  70.2574     48.93       13.3046     48.93       
1 1 1 16 4  16 o 136.533 2.40412 97.0579      5.03364  106.748      5.06361  130.314     95.7547     17.1659     275.755     
1 1 1 16 4  17 o 118.157 2.49769 78.3816      4.53715  74.3644      4.53917  131.555     103.384     24.6448     103.384     
1 1 1 16 4  18 o 18.3688 5.49192 -0.839312    2.54953  1.04595      2.85681  9.3081      354.563     32.9145     354.563     
1 1 1 16 4  19 o 117.524 3.00641 70.8478      5.41232  80.8735      5.43441  112.345     126.965     13.7176     306.965     
1 1 1 16 4  20 o 30.9396 5.819   4.3153       2.89748  6.7294       2.82595  11.5153     229.565     22.1085     49.5654     
1 1 1 16 4  21 o 93.4985 2.72903 45.9869      3.92359  50.0241      3.91194  90.8257     68.2859     5.46897     248.286     
1 1 1 16 4  22 o 32.9394 5.26423 7.61437      2.63088  5.03583      2.61515  9.5153      323.505     35.4089     143.505     
1 1 1 16 4  23 o 70.4729 3.19878 27.0632      3.45471  27.838       3.45067  63.5284     198.103     11.0208     18.1032     
1 1 1 16 4  24 o 108.35  2.67325 61.7354      4.10599  67.4184      4.79747  111.347     255.19      4.68141     255.19      
1 1 1 16 4  25 o 113.639 2.44788 67.5934      4.27888  74.3669      4.27029  124.126     31.2605     19.2938     31.2605     
1 1 1 16 4  26 o 123.768 2.3689  82.6722      4.51991  85.6987      4.49999  160.517     132.45      71.7698     132.45      
1 1 1 16 4  27 o 98.8073 2.35816 53.1585      3.57264  54.3012      3.59294  95.5227     151.12      7.92988     331.12      
1 1 1 16 4  28 o 51.0204 3.22864 15.162       2.51653  13.9943      2.50021  53.142      101.928     7.14109     101.928     
1 1 1 16 4  29 o 40.5289 3.78689 8.66968      2.30821  10.098       2.28726  36.9812     340.136     3.94119     160.136     
1 1 1 16 4  30 o 25.251  4.91678 5.03096      2.02951  2.50578      2.05435  20.7642     178.698     0.8159      178.698     
1 1 1 16 4  31 o 97.5435 2.46652 51.5429      3.83722  53.8984      3.54602  114.255     328.779     32.8793     328.779     
1 1 1 16 4  32 o 64.7876 3.08992 22.7515      3.04408  24.4599      3.08324  65.5113     121.252     2.50023     121.252     
1 1 1 16 4  33 o 59.9631 3.2313  22.1777      2.92342  18.5729      2.97289  68.6861     174.898     19.3836     174.898     
1 1 1 16 4  34 o 61.133  2.90819 21.7084      2.729    20.3486      2.71271  80.6662     206.889     41.6872     206.889     
1 1 1 16 4  35 o 19.3811 5.14181 2.12898      1.99402  1.55339      2.18291  10.1027     49.1187     12.445      229.119     
1 1 1 16 4  36 o 52.7181 3.61462 17.0948      2.68148  15.0609      3.05407  53.3736     155.436     2.80986     155.436     
1 1 1 16 4  37 o 32.4903 4.95322 7.95438      2.40527  5.31326      2.42401  26.1481     22.997      9.586       202.997     
1 1 1 16 4  38 o 15.8446 4.79416 0.556555     2.06327  0.212987     2.10272  7.01511     178.596     1.55491     358.596     
1 1 1 16 4  39 o 13.4817 4.38911 -0.745911    1.92544  -1.49764     2.29484  2.44828     241.724     3.10458     61.7244     
1 1 1 16 4  40 o 29.1395 5.2653  6.32993      2.25814  4.74855      2.54358  10.792      106.548     33.3243     286.548     
1 1 1 16 4  41 o 14.7956 4.64643 0.412665     2.08296  -0.878695    2.20265  2.05151     194.821     18.7086     14.8213     
1 1 1 16 4  42 o 35.9399 4.85887 6.98692      2.34086  10.0175      2.85468  40.0269     169.546     13.1122     169.546     
1 1 1 16 4  43 o 28.3607 5.50471 6.14409      2.59421  5.28952      2.36136  24.3205     209.205     3.58379     29.2049     
1 1 1 16 4  44 o 19.9401 5.43277 3.07482      2.4067   2.07455      2.32948  16.2113     73.6616     1.74672     253.662     
1 1 1 16 4  45 o 22.0193 5.80496 2.70086      2.99014  4.19975      2.47034  22.0834     86.3937     11.363      86.3937     
1 1 1 16 4  46 o 38.1066 5.71856 12.5034      3.60959  9.32956      2.90504  48.1988     166.46      26.543      166.46      
1 1 1 16 4  47 o 39.109  4.76376 9.22206      2.74298  12.1462      2.74963  37.4203     334.801     0.491059    334.801     
1 1 1 16 4  48 o 15.5114 4.87541 1.0851       2.3878   0.314616     2.28868  9.24114     351.67      4.74157     351.67      
1 1 1 16 4  49 o 14.6539 4.73941 0.329344     2.48017  0.00180521   2.30949  9.84558     323.553     0.651377    323.553     
1 1 1 16 4  50 o 20.3955 5.40734 2.68216      2.32565  4.18692      2.33643  15.2728     58.9817     4.74938     238.982     
1 1 1 16 4  51 o 19.5828 5.39776 3.06819      2.34328  3.3869       2.3527   17.7977     9.0182      5.62564     9.0182      
1 1 1 16 4  52 o 11.0214 3.82752 -2.72713     2.26612  -2.84617     2.21785  0.698887    245.805     5.09709     65.805      
1 1 1 16 4  53 o 12.4797 4.26622 -1.982       2.45453  -1.30102     2.53087  0.927993    75.8121     0.940073    255.812     
1 1 1 16 4  54 o 14.5841 4.71047 1.39407      2.38966  0.441873     2.33531  8.51521     95.229      0.286068    275.229     
1 1 1 16 4  55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 5  0  o 135.18  2.38408 99.7875      4.95577  99.7875      4.95577  142.343     180         3.54132     180         
1 1 1 16 5  1  o 100.264 2.66595 55.5134      3.77686  54.4201      4.4088   89.2629     34.4746     22.1855     214.475     
1 1 1 16 5  2  o 128.181 2.37845 91.6297      4.5262   87.7744      4.84412  122.738     260.769     14.8147     80.7685     
1 1 1 16 5  3  o 92.3534 2.57032 48.9118      3.64667  44.4079      3.64335  75.4566     204.765     33.0857     24.7646     
1 1 1 16 5  4  o 119.194 2.3579  71.5647      4.27859  83.8495      4.35356  156.493     132.975     76.0181     132.975     
1 1 1 16 5  5  o 119.37  2.34393 84.3157      4.30323  71.5718      4.28501  127.429     245.171     14.4122     245.171     
1 1 1 16 5  6  f 134.886 2.2747  95.2112      4.73645  103.407      4.70571  146.131     267.835     0           0           
1 1 1 16 5  7  o 151.177 2.28715 121.836      5.1743   127.592      5.47501  171.549     282.454     35.4216     282.454     
1 1 1 16 5  8  o 35.388  5.20888 6.72962      2.60382  7.57664      2.89051  7.37366     285.775     31.5291     105.775     
1 1 1 16 5  9  o 63.8905 3.19968 23.1348      3.06982  21.741       3.17822  32.7534     182.723     57.2187     2.7231      
1 1 1 16 5  10 o 40.3951 4.42646 10.8913      2.67391  7.58835      2.60317  18.4302     221.221     19.2683     41.2209     
1 1 1 16 5  11 o 89.609  2.61647 40.6271      3.60522  47.3599      3.58174  63.7023     87.3209     50.7882     267.321     
1 1 1 16 5  12 o 68.255  3.01644 28.2973      3.14915  22.9871      3.13414  78.8915     177.972     45.7202     177.972     
1 1 1 16 5  13 o 110.328 2.39971 70.0197      4.08807  63.1204      4.0497   117.871     30.7311     15.3618     30.7311     
1 1 1 16 5  14 o 119.188 2.46391 78.1685      4.73219  77.1383      4.29432  143.773     85.6251     49.0193     85.6251     
1 1 1 16 5  15 o 28.0269 5.65457 3.25661      2.64566  5.58087      2.58274  1.22445     34.3663     25.2498     214.366     
1 1 1 16 5  16 o 49.4171 4.72804 12.974       3.67133  14.4565      3.29124  10.2878     227.28      116.522     227.28      
1 1 1 16 5  17 o 77.07   3.29931 32.9132      3.90868  32.4536      3.8858   54.8264     306.849     43.7019     126.849     
1 1 1 16 5  18 o 26.1554 6.23462 4.56587      3.05715  2.52865      2.98062  18.9555     99.3355     82.631      99.3355     
1 1 1 16 5  19 o 186.958 2.46261 190.358      7.10854  192.018      7.07064  179.856     350.9       22.5637     170.9       
1 1 1 16 5  20 o 51.0014 3.65979 17.3418      2.86652  11.8492      2.73524  30.8025     60.1086     35.3438     240.109     
1 1 1 16 5  21 o 36.9063 4.64779 7.64949      2.55053  7.91121      2.53813  10.1348     280.214     45.4852     100.214     
1 1 1 16 5  22 o 87.8326 3.04877 41.6308      4.26625  43.3981      3.94007  116.808     257.206     62.8533     257.206     
1 1 1 16 5  23 o 97.5955 3.0049  49.1437      4.48256  55.9643      4.51484  86.6519     251.755     22.4457     71.7552     
1 1 1 16 5  24 o 98.4071 2.55796 53.2907      3.88197  53.1828      3.85729  77.0591     136.516     43.859      316.516     
1 1 1 16 5  25 o 65.739  2.90508 25.3991      2.84936  22.4589      2.98315  69.5129     233.674     10.6744     233.674     
1 1 1 16 5  26 o 77.2175 2.60603 32.4276      3.0856   33.3705      3.0936   65.4823     182.348     23.2027     2.34769     
1 1 1 16 5  27 o 19.153  5.00837 0.527127     1.97305  2.62358      2.08014  4.3221      83.3408     7.14277     263.341     
1 1 1 16 5  28 o 40.1497 4.06602 9.68317      2.30878  8.81204      2.5485   19.0727     46.1308     40.1597     226.131     
1 1 1 16 5  29 o 46.098  3.40425 12.2095      2.37682  11.797       2.38422  41.2697     140.74      7.36373     320.74      
1 1 1 16 5  30 o 70.3144 2.68991 28.1439      2.89738  26.8469      2.90449  73.9808     357.231     8.045       357.231     
1 1 1 16 5  31 o 35.5163 4.32159 7.19426      2.2261   7.60962      2.3309   35.9858     160.003     6.01305     160.003     
1 1 1 16 5  32 o 83.9304 2.49831 35.61        3.20161  42.88        3.22144  82.3765     247.091     2.85988     67.0911     
1 1 1 16 5  33 o 25.7988 5.47806 3.59928      2.33817  4.53781      2.38033  21.8646     242.205     0.0761198   242.205     
1 1 1 16 5  34 o 83.7482 2.74772 37.8607      3.50681  40.7318      3.55896  90.8741     216.9       15.049      216.9       
1 1 1 16 5  35 o 80.2201 2.55296 33.637       3.13456  38.4248      3.14611  89.0508     115.856     18.5908     115.856     
1 1 1 16 5  36 o 20.263  4.59867 -1.52936     2.01841  4.81853      2.12464  17.0773     359.768     0.0943611   359.768     
1 1 1 16 5  37 o 46.3932 4.2551  16.5649      2.58713  9.5665       2.96921  53.9592     161.574     18.3365     161.574     
1 1 1 16 5  38 o 22.4647 5.18829 5.12515      2.37589  0.787362     2.18971  19.0009     356.709     1.31926     356.709     
1 1 1 16 5  39 o 38.7075 4.21281 8.59118      2.37709  9.64475      2.48296  44.1104     119.894     15.5336     119.894     
1 1 1 16 5  40 o 20.5956 5.31095 1.95328      2.19701  3.03957      2.21629  1.53031     44.468      33.9544     224.468     
1 1 1 16 5  41 o 19.5436 5.29565 2.92189      2.1973   1.13721      2.40656  14.1539     308.804     1.44077     128.804     
1 1 1 16 5  42 o 32.0275 4.89352 10.6156      2.38628  3.43819      2.58298  26.3465     44.8715     7.35573     224.872     
1 1 1 16 5  43 o 19.1257 5.60434 3.33563      3.04683  0.575997     2.39694  12.554      305.025     6.92254     305.025     
1 1 1 16 5  44 o 19.1842 5.6117  2.91162      2.77038  1.15619      2.69925  15.5067     155.164     8.64779     155.164     
1 1 1 16 5  45 o 17.8767 5.19368 2.34041      2.38468  1.12173      2.2278   10.3767     79.3742     9.11065     259.374     
1 1 1 16 5  46 o 37.678  5.08667 11.969       2.90025  8.2876       2.77361  40.3285     333.494     9.98091     333.494     
1 1 1 16 5  47 o 19.2056 5.47591 2.59855      2.636    2.61966      2.36     14.3003     248.886     4.6354      68.8861     
1 1 1 16 5  48 o 19.6398 5.42361 4.47586      2.549    1.07911      2.47668  11.4761     123.517     11.8951     303.517     
1 1 1 16 5  49 o 23.8341 5.49195 2.7304       2.50019  6.71965      2.51697  23.0416     268.958     4.45913     268.958     
1 1 1 16 5  50 o 14.2715 4.61923 0.665783     2.31603  -0.30954     2.26111  8.50717     196.117     1.35181     196.117     
1 1 1 16 5  51 o 30.6507 5.26108 9.78102      2.54699  5.60739      2.53266  33.4295     343.76      12.2015     343.76      
1 1 1 16 5  52 f 16.9757 5.08906 1.11226      2.36146  2.73311      2.33043  8.92747     290.389     0           0           
1 1 1 16 5  53 o 12.7231 4.27768 -0.939585    2.25027  -0.603093    2.31937  1.27114     10.5462     0.666957    190.546     
1 1 1 16 5  54 o 14.0308 4.64021 0.986887     2.45902  -0.385759    2.574    7.75633     332.825     4.57868     152.825     
1 1 1 16 5  55 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 6  0  o 246.483 2.07591 331.201      7.87674  331.201      7.87674  246.825     3.0404e-06  17.7072     180         
1 1 1 16 6  1  o 181.463 2.14774 170.628      5.98301  188.837      6.00973  181.533     298.622     8.91359     118.622     
1 1 1 16 6  2  o 179.696 2.14249 174.668      5.92017  177.609      5.9367   162.276     123.341     44.077      303.341     
1 1 1 16 6  3  o 115.179 2.45604 70.5696      4.21844  74.4002      4.48453  138.096     281.626     46.7841     281.626     
1 1 1 16 6  4  o 22.5751 5.925   3.03227      2.56784  0.853295     3.10631  18.6804     241.424     59.7983     241.424     
1 1 1 16 6  5  f 125.709 2.50025 89.3549      4.48409  83.3575      5.13622  103.519     109.166     0           0           
1 1 1 16 6  6  o 112.734 2.51984 76.9504      4.16311  62.3288      4.49552  139.517     253.391     55.736      253.391     
1 1 1 16 6  7  o 156.039 2.18881 132.736      5.27266  132.936      5.24593  151.673     344.469     14.8034     164.469     
1 1 1 16 6  8  o 180.302 2.21785 176.811      5.95302  177.949      6.35705  199.761     228.016     31.1987     228.016     
1 1 1 16 6  9  o 85.0852 2.69714 38.2227      3.53681  41.0519      3.50828  93.9669     44.6093     24.4425     44.6093     
1 1 1 16 6  10 o 135.759 2.35588 94.5611      4.72559  106.903      5.1232   166.311     22.644      59.7965     22.644      
1 1 1 16 6  11 o 57.0265 3.36831 18.2034      2.95563  17.6515      2.90616  19.0231     233.106     70.083      53.1057     
1 1 1 16 6  12 o 126.56  2.32417 94.5866      4.52644  80.6465      4.50743  139.188     137.693     23.6962     137.693     
1 1 1 16 6  13 o 166.624 2.1863  150.988      5.60271  152.09       5.61659  176.917     345.128     14.3029     345.128     
1 1 1 16 6  14 o 20.9826 5.79007 0.622726     2.66778  2.26687      2.80041  6.85243     106.968     26.5692     106.968     
1 1 1 16 6  15 o 161.237 2.54851 140.078      6.30545  144.126      6.34938  187.426     162.212     46.8129     162.212     
1 1 1 16 6  16 o 42.4922 5.0782  11.1676      3.22986  9.38212      3.16955  31.1034     148.603     10.6491     328.603     
1 1 1 16 6  17 o 29.7211 6.07489 5.13198      2.94441  4.96087      2.92924  4.67992     146.363     37.2491     326.363     
1 1 1 16 6  18 o 58.6799 3.63035 19.2189      3.2417   18.935       3.25282  43.5252     116.033     26.173      296.033     
1 1 1 16 6  19 f 31.6556 5.22625 7.20083      2.56432  4.46099      2.48656  43.9958     167.793     0           0           
1 1 1 16 6  20 o 94.1049 2.51085 48.3805      3.63037  48.7501      3.63354  71.1904     343.194     46.2869     163.194     
1 1 1 16 6  21 o 74.17   3.14322 28.7089      3.56922  32.0609      3.56894  45.3393     257.553     56.2352     77.5532     
1 1 1 16 6  22 o 48.5012 4.31415 13.5808      3.14686  12.9657      3.15314  15.5715     60.7932     61.9332     240.793     
1 1 1 16 6  23 o 98.7426 3.02293 54.5088      4.58535  53.079       4.58513  88.5872     253.775     20.8009     73.7747     
1 1 1 16 6  24 o 51.5445 3.29566 16.397       2.60401  13.2854      2.55162  62.5275     182.808     32.6167     182.808     
1 1 1 16 6  25 f 64.566  2.85511 21.6615      2.81033  24.5384      2.83094  44.2938     191.936     0           0           
1 1 1 16 6  26 o 127.362 2.31865 82.1376      4.65533  96.5547      4.38459  117.893     37.0389     21.4221     217.039     
1 1 1 16 6  27 o 44.5375 3.64149 14.5739      2.38767  8.29978      2.34392  45.7429     107.638     6.41836     107.638     
1 1 1 16 6  28 o 14.2758 4.37055 0.764554     1.86768  -1.62428     1.82772  14.6595     286.527     52.8382     286.527     
1 1 1 16 6  29 o 24.4024 5.06356 4.17979      2.05559  2.85265      2.04153  13.1032     153.422     16.4154     333.422     
1 1 1 16 6  30 o 67.6506 2.71335 25.9491      2.80852  25.0394      2.82055  63.7661     222.079     6.86638     42.0789     
1 1 1 16 6  31 o 14.8432 4.51516 0.234502     1.86579  -0.146191    1.86697  1.95947     223.588     12.4574     43.5878     
1 1 1 16 6  32 o 39.4398 3.86339 8.20068      2.25197  9.86964      2.30085  27.3446     247.929     21.5422     67.929      
1 1 1 16 6  33 o 26.1724 4.77513 1.76542      2.06073  6.56188      2.17035  13.0636     51.5686     22.0395     231.569     
1 1 1 16 6  34 o 31.9117 5.15982 5.22833      2.49432  7.41053      2.4931   32.8005     218.57      6.77538     218.57      
1 1 1 16 6  35 o 16.0598 4.94137 -1.07745     2.25096  0.889848     2.39327  8.84418     291.373     6.67633     111.373     
1 1 1 16 6  36 o 54.4896 3.49922 17.684       2.88563  16.719       2.91906  46.9355     189.227     13.3091     9.22735     
1 1 1 16 6  37 o 30.6149 4.88001 7.91098      2.3723   4.08399      2.19674  27.3763     308.895     2.03963     128.895     
1 1 1 16 6  38 o 19.7075 5.09942 -0.110511    2.268    3.68632      2.20674  10.5719     314.116     11.7521     134.116     
1 1 1 16 6  39 o 29.944  5.15242 7.01548      2.37307  4.64993      2.38915  28.6861     200.225     3.26974     200.225     
1 1 1 16 6  40 o 19.4604 5.36736 3.59221      2.67868  0.248921     2.13861  12.4695     105.446     5.58587     285.446     
1 1 1 16 6  41 o 15.5878 4.83477 0.801524     2.38954  -0.290212    2.05784  6.70956     192.143     9.00885     12.1434     
1 1 1 16 6  42 o 20.7169 5.19764 3.80319      2.16472  1.70963      2.1321   14.9756     1.69992     5.538       181.7       
1 1 1 16 6  43 o 22.313  6.04773 3.0049       2.92442  4.14299      2.92817  22.8239     223.935     11.4816     223.935     
1 1 1 16 6  44 o 15.6461 4.82914 0.691652     2.17658  0.4795       2.21752  9.76766     319.749     4.24929     139.749     
1 1 1 16 6  45 o 16.2011 4.94982 -1.00212     2.26589  2.27313      2.44357  10.4193     235.709     1.28792     55.7087     
1 1 1 16 6  46 o 14.8083 4.83091 -0.124944    2.40546  -0.599518    2.73864  9.41853     213.163     0.301548    33.1627     
1 1 1 16 6  47 o 29.4458 5.55535 6.88919      2.47846  6.70542      2.66033  23.5946     278.324     7.70648     98.3237     
1 1 1 16 6  48 o 16.4542 5.00413 -0.175803    2.23272  2.6882       2.47089  12.8866     68.3551     0.700473    68.3551     
1 1 1 16 6  49 o 26.5162 5.57264 7.73318      2.59266  4.1532       2.53799  24.8091     248.46      2.05194     248.46      
1 1 1 16 6  50 o 13.8834 4.53974 0.282218     2.18659  -0.518555    2.41219  8.19        90.9231     2.36008     270.923     
1 1 1 16 6  51 f 12.5064 4.2169  -3.55176     2.4827   0.0958832    2.21945  12.8807     241.738     0           0           
1 1 1 16 6  52 o 15.9228 4.99475 0.499525     2.65494  1.94406      2.32931  5.88535     11.5317     0.2664      191.532     
1 1 1 16 6  53 o 14.6904 4.66052 -1.58524     2.35329  2.62612      2.3256   5.93677     192.708     0.743028    192.708     
1 1 1 16 6  54 o 14.8565 4.72588 -0.398875    2.36181  2.33167      2.32284  10.7542     252.901     2.75524     252.901     
1 1 1 16 7  0  o 123.758 2.50345 83.7029      4.76208  83.7029      4.76208  78.8084     4.60083e-06 98.3786     180         
1 1 1 16 7  1  o 93.9892 2.76645 43.9149      3.90391  52.9713      4.0738   75.9323     319.358     34.7402     139.358     
1 1 1 16 7  2  o 44.3455 4.1679  10.841       2.78757  11.1035      2.76305  18.9258     96.4149     36.0648     276.415     
1 1 1 16 7  3  o 262.083 2.05796 365.643      8.29438  383.773      8.31347  296.139     270.951     53.7813     270.951     
1 1 1 16 7  4  o 25.8747 5.61417 2.08791      2.54473  5.10164      2.56163  2.3569      278.825     14.6373     278.825     
1 1 1 16 7  5  o 133.344 2.28235 96.2555      4.69096  97.8087      4.68165  119.158     149.652     31.6684     329.652     
1 1 1 16 7  6  o 125.749 2.32748 85.6857      4.47469  87.0424      4.53145  104.716     265.493     44.717      85.4925     
1 1 1 16 7  7  o 37.9784 4.91516 6.59658      2.77653  9.90455      2.71797  7.35764     7.66316     2.48872     187.663     
1 1 1 16 7  8  o 177.503 2.15349 174.265      5.88732  169.593      5.88437  238.303     75.1492     117.104     75.1492     
1 1 1 16 7  9  o 54.8826 3.62081 14.6038      2.94383  18.8246      3.08037  50.0901     327.231     12.4806     327.231     
1 1 1 16 7  10 o 94.6393 2.69833 48.1469      3.73293  49.9078      4.11223  81.7126     118.716     24.3161     298.716     
1 1 1 16 7  11 o 108.417 2.6315  63.1952      4.37026  65.4215      4.40283  125.063     351.216     34.8719     351.216     
1 1 1 16 7  12 o 121.381 2.56006 77.6624      4.78506  83.5363      4.76891  141.323     96.7593     39.3434     96.7593     
1 1 1 16 7  13 o 185.658 2.41349 180.179      6.62823  196.6        7.17491  221.116     329.265     64.0748     329.265     
1 1 1 16 7  14 o 49.2717 4.76519 9.54445      3.35672  18.4606      3.36932  48.8878     269.457     22.8394     269.457     
1 1 1 16 7  15 o 69.0491 3.58314 22.3809      3.74882  30.5742      3.73949  75.4321     159.017     18.0919     159.017     
1 1 1 16 7  16 o 50.4541 3.88881 12.0666      2.93263  16.446       2.94685  34.1152     90.4504     26.8275     270.45      
1 1 1 16 7  17 o 103.972 2.60125 60.8899      4.17188  57.6125      4.14277  94.2544     129.352     20.4098     309.352     
1 1 1 16 7  18 o 94.7307 2.651   48.9317      3.86172  49.5258      3.85713  97.1769     109.346     5.74594     109.346     
1 1 1 16 7  19 o 63.3184 3.40887 20.0135      3.2928   24.4787      3.27425  58.1625     64.7515     5.04991     244.752     
1 1 1 16 7  20 o 84.5086 2.88348 40.4466      3.87241  38.1862      3.6108   73.7043     354.58      20.0172     174.58      
1 1 1 16 7  21 o 18.2855 5.28884 -0.24081     2.51437  1.43645      2.31417  4.33966     256.11      19.513      256.11      
1 1 1 16 7  22 o 79.4326 2.98987 36.4118      3.65922  33.2877      3.62438  84.2987     61.0369     12.3024     61.0369     
1 1 1 16 7  23 o 33.0572 5.03977 7.43564      2.44689  5.36227      2.54247  1.90025     131.389     64.9141     131.389     
1 1 1 16 7  24 o 106.113 2.35178 58.9729      3.83085  64.8924      3.83897  143.772     161.713     76.2869     161.713     
1 1 1 16 7  25 o 147.766 2.2313  119.582      5.25862  120.276      4.88757  152.847     93.695      7.39434     93.695      
1 1 1 16 7  26 o 27.6212 4.8654  3.16721      2.10378  5.88793      2.11518  21.9479     239.949     9.18203     239.949     
1 1 1 16 7  27 o 44.7465 3.53649 13.6683      2.34175  9.20432      2.35348  50.1937     6.78204     14.9631     6.78204     
1 1 1 16 7  28 o 65.0959 2.79417 23.3432      2.79202  23.8391      2.78301  70.3757     294.321     12.066      294.321     
1 1 1 16 7  29 o 28.6667 4.82325 4.49366      2.07984  5.36279      2.12254  22.9101     320.134     5.34296     140.134     
1 1 1 16 7  30 o 32.5627 5.0855  4.92132      2.52335  7.9979       2.47838  28.4538     316.311     2.92298     136.311     
1 1 1 16 7  31 o 55.1531 3.27054 17.1913      2.59347  17.2714      2.90069  49.9252     8.0796      8.45457     188.08      
1 1 1 16 7  32 o 74.7254 2.69846 30.6993      2.99679  31.7421      3.19219  58.2987     251.145     31.8199     71.1451     
1 1 1 16 7  33 o 68.0905 2.84802 29.9274      2.89609  22.443       2.98328  75.0719     30.7579     15.7652     30.7579     
1 1 1 16 7  34 o 37.4961 4.1385  9.75493      2.25668  6.99009      2.30549  46.8852     333.619     23.3669     333.619     
1 1 1 16 7  35 o 31.8928 4.76231 7.80869      2.31323  4.85768      2.23635  31.3358     83.1027     2.73317     83.1027     
1 1 1 16 7  36 o 15.9635 4.89265 0.695801     2.22794  -0.424059    2.25015  7.87399     90.2231     1.43398     270.223     
1 1 1 16 7  37 o 27.8077 5.58932 3.26462      2.82378  6.74574      2.49549  26.3289     86.2181     3.54983     86.2181     
1 1 1 16 7  38 o 25.0547 5.48756 4.11417      2.51293  4.08034      2.16698  24.8081     209.92      10.7069     209.92      
1 1 1 16 7  39 o 31.8069 4.94219 7.03399      2.31213  5.96866      2.40092  29.0308     158.637     0.429       338.637     
1 1 1 16 7  40 o 23.4107 5.21172 0.994736     2.36278  5.81892      2.38358  18.3374     93.5686     3.74223     273.569     
1 1 1 16 7  41 o 23.3244 5.71356 4.29394      2.57751  3.27892      2.44221  20.8987     260.788     2.73721     260.788     
1 1 1 16 7  42 o 22.3642 5.79629 3.61142      2.79818  3.45092      2.43152  22.3785     42.7797     11.0291     42.7797     
1 1 1 16 7  43 o 22.9265 5.73734 4.82071      2.59652  2.84656      2.57108  23.7238     192.02      9.14698     192.02      
1 1 1 16 7  44 o 16.1453 4.92663 1.83611      2.29681  -0.509579    2.30647  8.31302     289.548     9.28585     109.548     
1 1 1 16 7  45 o 14.9821 4.74009 0.182023     2.24731  0.335791     2.24469  8.79517     178.526     1.21542     358.526     
1 1 1 16 7  46 o 17.9535 5.13078 3.67737      2.38064  -0.497361    2.45672  16.1308     340.073     4.75768     340.073     
1 1 1 16 7  47 o 12.7122 4.26386 -2.66327     2.08586  -0.0458008   2.38742  7.02555     158.53      0.0406093   338.529     
1 1 1 16 7  48 o 27.6937 5.64889 6.19851      2.4711   6.51555      2.61261  28.0968     173.25      6.59572     173.25      
1 1 1 16 7  49 o 13.7595 4.48403 -2.0714      2.21863  1.21889      2.31672  6.33671     252.051     1.37175     252.051     
1 1 1 16 7  50 o 13.9238 4.56848 0.332027     2.19301  -0.732375    2.54856  6.72488     213.334     0.059482    33.3343     
1 1 1 16 7  51 o 13.3721 4.45124 -1.48413     2.27669  0.234087     2.44903  3.56193     129.275     5.92129     309.275     
1 1 1 16 7  52 o 15.7542 4.86442 2.58974      2.29885  -0.159356    2.3467   8.16837     289.269     2.86565     109.269     
1 1 1 16 7  53 o 13.7225 4.53452 0.40575      2.28713  0.03597      2.4729   5.67404     152.548     0.493395    152.548     
1 1 1 16 7  54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 8  0  o 15.4925 6.40709 1.56424      2.55233  1.56424      2.55233  33.4121     8.65219e-06 79.8753     8.65219e-06 
1 1 1 16 8  1  o 51.6702 3.77497 12.7537      2.92483  16.9698      2.94274  36.8102     78.2495     14.1019     258.25      
1 1 1 16 8  2  o 108.129 2.45513 64.2388      4.09621  63.5662      4.06916  130.473     28.4055     48.5692     28.4055     
1 1 1 16 8  3  o 65.1865 3.17842 23.3683      3.17402  23.3418      3.1679   41.0086     114.023     41.6659     294.023     
1 1 1 16 8  4  o 48.9861 4.11021 14.5001      3.20026  12.2505      2.88182  34.9364     285.691     7.70725     105.691     
1 1 1 16 8  5  o 144.862 2.3266  112.514      5.34152  116.615      5.02675  137.139     115.781     18.7837     295.781     
1 1 1 16 8  6  o 82.8923 2.87271 36.1697      3.77327  39.1666      3.51832  69.8654     297.557     21.9515     117.557     
1 1 1 16 8  7  o 122.973 2.35262 79.8066      4.45248  85.49        4.4451   114.485     124.678     18.2815     304.678     
1 1 1 16 8  8  o 93.4439 2.69188 48.6654      3.99314  46.9373      3.7369   102.972     186.658     23.2115     186.658     
1 1 1 16 8  9  o 24.9111 5.66922 -0.0247655   2.8357   5.61419      2.78179  4.37209     10.2254     29.2001     10.2254     
1 1 1 16 8  10 o 106.297 2.68895 60.3949      4.38972  63.3055      4.39724  119.577     55.7742     28.0154     55.7742     
1 1 1 16 8  11 o 28.4847 5.87545 6.71169      2.95293  2.22769      2.8552   3.85765     63.4296     10.9611     243.43      
1 1 1 16 8  12 o 29.6845 5.61749 8.86265      3.10693  0.506207     3.02657  5.31757     296.678     29.9748     116.678     
1 1 1 16 8  13 o 155.949 2.68884 137.136      6.19227  129.097      6.68633  170.646     202.6       24.9298     202.6       
1 1 1 16 8  14 o 74.7632 3.20965 30.2316      3.49491  31.3003      3.8568   68.9769     5.45923     8.84786     185.459     
1 1 1 16 8  15 o 80.6337 3.04259 35.1462      3.56386  36.3519      3.95963  67.8114     204.35      24.0625     24.3496     
1 1 1 16 8  16 o 29.4708 5.48908 4.64767      2.49291  5.39586      2.56331  10.4683     286.996     11.1154     106.996     
1 1 1 16 8  17 o 106.878 2.66701 59.9995      4.23717  65.3848      4.52943  97.3648     182.8       19.4454     2.80048     
1 1 1 16 8  18 o 112.183 2.68743 69.3686      4.66044  68.789       4.61116  94.2843     274.694     36.6532     94.694      
1 1 1 16 8  19 f 54.8971 3.90121 18.3914      3.36175  15.3461      3.13945  33.0397     72.2435     0           0           
1 1 1 16 8  20 o 47.3737 3.78806 11.7641      2.69793  13.4096      2.72244  50.4486     1.67183     22.0525     1.67183     
1 1 1 16 8  21 o 75.9996 2.97467 30.5504      3.58406  33.2676      3.32952  83.9741     258.865     19.5366     258.865     
1 1 1 16 8  22 o 85.7945 2.90157 42.8326      3.8381   38.5113      3.79986  53.7041     205.31      63.9635     25.3101     
1 1 1 16 8  23 o 33.2211 5.04427 6.25952      2.58574  6.67799      2.42059  26.966      356.216     0.29578     356.216     
1 1 1 16 8  24 o 50.048  3.26463 14.8038      2.49163  13.2311      2.47743  59.1716     48.7568     24.7344     48.7568     
1 1 1 16 8  25 f 76.9653 2.61529 31.5979      3.09882  33.9469      3.07822  85.3001     209.806     0           0           
1 1 1 16 8  26 o 67.1272 2.76271 24.4546      2.82302  25.607       2.86344  65.1262     338.286     2.83984     158.287     
1 1 1 16 8  27 o 34.7861 4.93447 5.67572      2.53034  8.82335      2.56976  32.0878     79.4623     0.0205725   259.463     
1 1 1 16 8  28 o 22.6123 5.34267 1.52089      2.01051  4.25605      2.48887  14.5708     309.974     6.19359     129.974     
1 1 1 16 8  29 o 28.0269 5.11525 4.47234      2.22675  5.05763      2.22344  5.36366     334.743     41.8245     154.743     
1 1 1 16 8  30 o 42.7593 3.77193 11.4051      2.36651  9.69621      2.46383  30.3784     233.661     22.0934     53.6615     
1 1 1 16 8  31 o 23.9969 4.9968  2.1839       2.02987  4.68787      2.06654  20.0836     315.753     2.27597     315.753     
1 1 1 16 8  32 o 48.2248 3.37582 14.9865      2.479    11.6766      2.43785  34.4872     127.392     25.345      307.392     
1 1 1 16 8  33 o 30.0068 4.80756 5.33037      2.17071  5.70605      2.16975  23.5596     20.684      9.142       200.684     
1 1 1 16 8  34 o 26.98   5.15296 3.52003      2.21494  5.62522      2.24235  18.6184     174.545     13.1607     354.545     
1 1 1 16 8  35 f 31.2586 5.13057 6.41598      2.61718  5.94876      2.22785  16.5629     338.357     0           0           
1 1 1 16 8  36 o 17.9119 4.6633  -1.63926     2.02413  3.43134      2.03222  10.0514     200.39      7.40207     20.3902     
1 1 1 16 8  37 o 33.0293 5.20051 10.8538      2.78074  3.68404      2.64698  28.8166     311.906     3.71225     131.906     
1 1 1 16 8  38 o 36.3754 4.97079 9.94076      2.67848  6.98598      2.67309  33.3778     126.938     1.36782     306.938     
1 1 1 16 8  39 o 29.65   5.20015 6.68268      2.41381  4.99703      2.33723  27.0303     148.039     0.386733    148.039     
1 1 1 16 8  40 o 16.2532 5.06404 0.631538     2.37286  -0.128157    2.58526  5.47451     64.1214     0.921795    64.1214     
1 1 1 16 8  41 o 18.271  5.23081 -0.929372    2.50278  3.33751      2.49595  9.25368     353.299     12.3552     173.299     
1 1 1 16 8  42 o 20.7916 5.54859 3.9068       2.53059  1.86457      2.42162  11.5156     120.971     14.0918     300.971     
1 1 1 16 8  43 o 25.2567 5.79907 3.16849      2.51161  6.58487      2.82532  23.8551     99.3439     3.16713     99.3438     
1 1 1 16 8  44 o 13.802  4.50428 -1.99424     2.25371  0.349995     2.29251  6.07566     143.8       3.0535      323.8       
1 1 1 16 8  45 o 21.5632 5.41883 3.83601      2.26355  3.20101      2.27053  17.4107     117.497     2.66461     297.497     
1 1 1 16 8  46 o 17.063  5.14891 0.137447     2.41304  2.67783      2.49766  11.7532     191.88      5.26213     11.8805     
1 1 1 16 8  47 o 12.5688 4.22228 -1.18667     2.12534  -1.37271     2.30974  6.52169     324.285     2.47564     144.285     
1 1 1 16 8  48 o 18.2308 5.35013 2.59313      2.34103  2.19327      2.6228   14.5049     115.647     0.133782    295.647     
1 1 1 16 8  49 o 16.4093 5.007   1.89771      2.32524  1.30061      2.29363  11.8419     244.789     1.37752     64.7888     
1 1 1 16 8  50 o 16.1493 4.95897 0.666361     2.35176  2.20407      2.29962  5.90478     142.883     1.72866     142.883     
1 1 1 16 8  51 o 14.4604 4.61742 -1.21248     2.25771  1.7919       2.27587  3.22123     135.032     1.37627     315.031     
1 1 1 16 8  52 o 13.4932 4.48035 -0.261969    2.29775  0.0722368    2.43019  5.31789     220.342     2.97313     40.3419     
1 1 1 16 8  53 o 17.1078 5.19995 2.35599      2.41821  2.82451      2.51872  13.6169     80.6335     1.14078     80.6335     
1 1 1 16 9  0  o 114.209 2.43943 71.318       4.28135  71.318       4.28135  115.666     180         3.20699     8.6516e-06  
1 1 1 16 9  1  o 132.84  2.31147 96.8399      4.73752  95.8425      4.71915  142.168     210.011     17.6516     210.011     
1 1 1 16 9  2  o 124.939 2.36199 91.6231      4.55533  79.1368      4.51279  116.429     90.8693     18.0841     270.869     
1 1 1 16 9  3  f 161.927 2.28916 142.457      5.88664  143.837      5.52163  180.598     65.6895     0           0           
1 1 1 16 9  4  o 17.4485 5.18011 -3.12337     2.66294  1.71163      2.52661  31.944      356.853     82.4985     356.853     
1 1 1 16 9  5  o 106.017 2.61126 58.4917      4.39845  64.5631      4.08475  115.28      213.108     20.5234     213.108     
1 1 1 16 9  6  o 42.0559 4.93667 10.1168      3.14122  9.89917      3.02872  27.9736     310.55      4.70084     130.55      
1 1 1 16 9  7  o 108.125 2.69301 64.9105      4.50293  63.0738      4.4507   122.166     231.262     29.7255     231.262     
1 1 1 16 9  8  o 83.4579 3.26046 35.0687      4.37165  41.6148      3.89401  68.3107     36.2886     27.8934     216.289     
1 1 1 16 9  9  o 130.451 2.61683 96.2493      5.48516  90.0326      5.01837  161.804     179.464     62.2094     179.464     
1 1 1 16 9  10 o 106.46  3.06587 55.9938      5.16443  68.6873      4.77721  80.4867     52.9595     52.9356     232.959     
1 1 1 16 9  11 o 61.4686 3.92834 18.1235      3.66449  23.9813      3.62063  34.4081     62.0471     50.9729     242.047     
1 1 1 16 9  12 o 66.6307 3.27434 24.638       3.35959  24.3056      3.31785  85.4344     350.99      48.9164     350.99      
1 1 1 16 9  13 o 19.611  5.44032 2.22914      2.45577  -0.0555785   2.49304  11.0863     293.95      43.5775     293.95      
1 1 1 16 9  14 o 47.7255 4.03224 14.1561      2.8748   11.3911      2.89758  25.8236     89.6785     37.4896     269.678     
1 1 1 16 9  15 o 127.322 2.60111 89.9093      5.11771  87.8114      5.07108  128.345     169.555     0.860947    169.555     
1 1 1 16 9  16 o 114.201 2.51837 72.1185      4.44153  70.8865      4.40509  130.465     347.973     33.3442     347.973     
1 1 1 16 9  17 o 85.9698 2.86982 38.5916      3.67842  42.8012      3.89905  67.0846     138.199     36.0088     318.199     
1 1 1 16 9  18 o 21.2236 5.61361 2.73146      2.34047  0.820203     2.76089  1.11592     346.323     15.5261     346.323     
1 1 1 16 9  19 o 46.6804 4.31181 10.1965      2.82808  14.6501      3.19541  43.9529     150.649     4.88407     150.649     
1 1 1 16 9  20 o 72.4839 2.89417 26.9655      3.21782  31.1314      3.20205  76.4953     122.878     11.817      122.878     
1 1 1 16 9  21 o 65.8533 3.37819 22.8988      3.27954  25.3879      3.52676  60.1036     309.948     8.27375     129.948     
1 1 1 16 9  22 o 53.6417 3.58611 14.8365      2.8523   17.4719      2.99565  46.9636     50.7628     9.2959      230.763     
1 1 1 16 9  23 o 72.3528 2.81363 28.6765      3.0147   29.318       3.22899  47.7641     322.105     48.1661     142.105     
1 1 1 16 9  24 o 16.2628 4.88282 -0.360683    1.88616  0.825622     2.37092  1.26091     98.2409     4.49385     278.241     
1 1 1 16 9  25 o 105.838 2.39801 63.2321      3.78219  60.4484      4.01355  126.775     119.165     42.1962     119.165     
1 1 1 16 9  26 o 29.9193 4.71485 3.91546      2.13555  6.81608      2.14245  25.0865     80.0089     3.22734     260.009     
1 1 1 16 9  27 f 137.803 2.17704 105.287      4.63477  104.069      4.60466  99.6916     156.207     0           0           
1 1 1 16 9  28 o 32.7811 4.70949 6.77465      2.21056  6.05208      2.37774  31.877      6.73972     4.52451     6.73972     
1 1 1 16 9  29 o 43.0359 3.67728 12.6494      2.35761  8.79588      2.34085  32.996      36.2778     17.1        216.278     
1 1 1 16 9  30 o 16.7496 4.77416 1.34785      1.92106  0.427015     1.89873  4.25868     190.277     1.61274     10.2774     
1 1 1 16 9  31 o 24.6344 5.46352 3.52845      2.55699  3.80621      2.08689  22.078      73.9017     11.0053     73.9017     
1 1 1 16 9  32 o 62.4699 3.0716  22.5811      3.09809  21.6396      2.7704   63.8388     123.498     5.00445     123.498     
1 1 1 16 9  33 o 22.2635 5.17993 3.22908      2.05856  2.72287      2.06184  18.0527     324.085     2.97533     144.085     
1 1 1 16 9  34 o 32.8463 4.59311 6.50526      2.19563  6.74673      2.28617  29.4337     108.371     2.93488     288.371     
1 1 1 16 9  35 o 57.8417 3.08039 21.4366      2.70019  17.069       2.71298  52.0572     356.483     8.67955     176.483     
1 1 1 16 9  36 o 41.2014 3.96117 10.3331      2.4518   10.0182      2.44402  48.7895     38.197      20.3296     38.197      
1 1 1 16 9  37 o 21.1095 5.2798  2.83173      2.21912  2.57178      2.06727  16.0862     313.615     5.88842     313.615     
1 1 1 16 9  38 o 27.5215 5.36164 5.74479      2.45657  4.39454      2.24857  26.6189     293.677     5.42364     293.677     
1 1 1 16 9  39 o 36.0625 6.08868 9.36582      3.3837   9.0666       3.28515  37.3785     266.679     8.36992     266.679     
1 1 1 16 9  40 o 19.255  5.7681  2.44979      3.06376  0.875041     2.88811  13.9571     185.986     5.23491     185.986     
1 1 1 16 9  41 o 34.7391 5.05518 10.2819      2.74053  6.38483      2.50708  40.7358     257.425     17.4016     257.425     
1 1 1 16 9  42 o 17.6985 5.33901 2.50095      2.66574  -0.176308    2.618    3.17957     65.2786     24.9418     245.279     
1 1 1 16 9  43 o 15.0042 4.769   0.410636     2.34084  -0.241536    2.26791  3.49928     327.631     0.935074    327.631     
1 1 1 16 9  44 o 15.7982 4.82375 -0.860441    2.2857   2.0013       2.21462  10.3287     171.564     1.85786     171.564     
1 1 1 16 9  45 o 16.3547 4.94318 1.95787      2.23727  0.406294     2.24648  13.4608     354.34      5.23436     354.34      
1 1 1 16 9  46 o 20.7472 5.6074  4.18478      2.51031  2.69506      2.56035  13.477      351.605     9.65919     171.605     
1 1 1 16 9  47 o 15.6926 4.88282 1.63398      2.2102   0.169697     2.45469  5.38606     31.4135     2.67754     31.4135     
1 1 1 16 9  48 f 15.3206 4.71257 -1.57766     2.21019  2.69531      2.27966  8.59029     65.9802     0           0           
1 1 1 16 9  49 o 18.4126 5.26525 1.92508      2.28452  3.412        2.38723  13.4675     182.424     2.06505     2.42354     
1 1 1 16 9  50 o 21.211  5.54677 4.91823      2.43907  3.0358       2.481    17.0772     301.503     5.01418     301.503     
1 1 1 16 9  51 o 13.6663 4.46227 -2.42766     2.33094  1.54255      2.28779  4.70122     81.7037     4.96853     261.704     
1 1 1 16 9  52 o 21.2581 5.72934 4.92725      2.71028  4.69009      2.49855  17.8464     302.131     0.767717    302.131     
1 1 1 16 9  53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 10 0  o 13.0541 6.1187  -0.804543    3.24122  -0.804543    3.24122  8.64902     180         20.7129     180         
1 1 1 16 10 1  o 111.885 2.90323 73.7484      5.01808  63.6055      4.95255  126.129     33.3019     29.9525     33.3018     
1 1 1 16 10 2  o 44.8835 4.99795 10.7744      3.22175  12.0187      3.46022  23.6316     96.5197     12.4886     96.5197     
1 1 1 16 10 3  o 74.1792 3.4037  30.4567      3.70545  30.1266      4.01956  80.0033     58.8739     18.4582     58.8739     
1 1 1 16 10 4  o 22.0135 6.13368 2.37418      3.0387   0.543902     3.16773  9.25727     351.602     41.3272     351.602     
1 1 1 16 10 5  o 30.9571 6.32051 6.5797       3.25679  4.33263      3.17522  2.82835     237.468     41.8923     57.4682     
1 1 1 16 10 6  f 60.5733 4.03265 19.6935      3.75596  21.0347      3.67097  46.192      126.733     0           0           
1 1 1 16 10 7  o 46.985  4.95142 9.9437       3.41598  15.268       3.39885  26.4558     134.597     33.8006     314.597     
1 1 1 16 10 8  o 91.3874 3.11112 46.4398      4.3774   45.3168      4.35298  94.1006     166.676     7.40491     166.676     
1 1 1 16 10 9  o 107.895 2.64387 65.395       4.3895   62.1729      4.38071  105.706     277.148     4.20852     97.1475     
1 1 1 16 10 10 o 41.5066 4.79736 11.7049      2.92956  8.00929      2.92532  34.5423     86.938      3.33419     86.938      
1 1 1 16 10 11 o 71.9822 3.11661 28.6358      3.44119  28.426       3.43486  86.8379     278.437     37.3804     278.437     
1 1 1 16 10 12 o 15.6895 5.00476 -2.5867      2.7736   -0.433703    2.45181  19.8744     143.288     55.1295     143.288     
1 1 1 16 10 13 o 88.6672 3.1738  42.8982      4.57929  43.6982      4.03535  72.7727     337.69      29.9404     157.69      
1 1 1 16 10 14 o 65.3076 3.56817 21.5814      3.4273   25.7913      3.69049  47.2673     293.167     31.6957     113.167     
1 1 1 16 10 15 o 73.0029 3.0394  28.3478      3.41463  30.4528      3.38391  73.103      339.605     5.44371     339.605     
1 1 1 16 10 16 o 84.6487 2.78762 38.2155      3.62722  40.6675      3.61702  72.4322     88.2642     21.9689     268.264     
1 1 1 16 10 17 o 27.4855 5.70757 4.90511      2.65564  3.81975      2.50801  6.89102     160.817     24.6798     340.817     
1 1 1 16 10 18 f 36.3848 5.02087 7.50157      2.79643  7.84757      2.62469  42.0483     58.1813     0           0           
1 1 1 16 10 19 o 25.6364 5.41522 4.8067       2.432    2.74875      2.2462   9.58898     46.0786     8.99662     226.079     
1 1 1 16 10 20 o 92.7733 2.72476 44.1978      3.64855  50.8861      4.1242   69.1221     178.571     46.5374     358.571     
1 1 1 16 10 21 o 62.7509 4.18549 20.3156      3.18068  24.3056      4.75544  64.8423     35.59       8.03843     35.5899     
1 1 1 16 10 22 o 41.086  4.8445  8.29027      2.58694  11.4901      3.34455  23.0105     6.00326     32.2789     186.003     
1 1 1 16 10 23 o 94.3932 2.72572 46.6358      3.81828  52.1294      4.09026  104.746     33.908      21.6971     33.908      
1 1 1 16 10 24 o 33.7632 4.40704 6.08665      2.20811  7.25989      2.19953  22.4971     161.364     18.2643     341.364     
1 1 1 16 10 25 o 28.2586 4.93713 5.38595      2.14993  4.1852       2.13803  20.5575     195.896     9.04168     15.8956     
1 1 1 16 10 26 o 30.1553 4.72223 5.49453      2.15201  5.36176      2.11793  28.192      170.857     3.5954      170.857     
1 1 1 16 10 27 o 57.2904 3.03595 15.7472      2.63712  21.3434      2.62514  76.4869     217.08      43.0561     217.08      
1 1 1 16 10 28 o 48.7313 3.67897 14.0615      2.95214  13.1742      2.47189  42.3537     116.37      9.68122     296.37      
1 1 1 16 10 29 o 43.2965 3.68865 10.2605      2.42191  11.3441      2.38876  46.0607     153.947     9.88002     153.947     
1 1 1 16 10 30 o 43.2263 4.35679 11.4392      2.37723  10.5898      3.14019  45.2328     223.973     8.09646     223.973     
1 1 1 16 10 31 o 19.0279 5.09372 1.67298      2.06802  1.84201      2.02948  13.6906     205.026     1.71462     205.026     
1 1 1 16 10 32 o 12.0699 3.98226 -0.550704    1.8729   -2.96109     1.85782  3.15363     250.798     6.89812     70.7983     
1 1 1 16 10 33 o 20.7286 4.74013 4.5351       2.04946  -0.245783    2.01565  12.3074     49.103      11.6091     229.103     
1 1 1 16 10 34 o 23.5729 5.24759 3.59965      2.11845  3.4215       2.13409  6.46636     191.338     30.1575     11.3376     
1 1 1 16 10 35 o 54.0566 3.27888 15.3933      2.68115  18.5805      2.7047   55.2536     315.791     6.19298     315.791     
1 1 1 16 10 36 o 46.8264 3.56347 13.0538      2.5293   12.7721      2.52865  45.4826     212.943     1.44056     212.943     
1 1 1 16 10 37 o 29.7788 5.11599 6.65483      2.37483  4.9777       2.29299  25.6724     309.554     2.54291     129.554     
1 1 1 16 10 38 f 31.1724 5.03855 11.2644      2.73587  2.02502      2.70128  24.4832     29.4226     0           0           
1 1 1 16 10 39 o 34.4994 5.47895 7.72867      2.79679  8.7303       2.885    32.6375     343.081     1.38096     343.081     
1 1 1 16 10 40 o 20.7172 5.13836 5.40348      2.47421  -1.3182      2.54035  19.7235     355.839     9.50296     355.839     
1 1 1 16 10 41 o 18.7012 5.73927 0.507178     3.02499  2.41816      3.15451  15.9305     129.651     5.39143     129.651     
1 1 1 16 10 42 o 16.9847 5.10523 -0.0149862   2.22808  2.31769      2.51438  11.8851     162.028     1.07866     342.028     
1 1 1 16 10 43 o 20.0984 5.34188 1.36933      2.31261  4.14699      2.38411  15.7777     161.053     1.50074     341.053     
1 1 1 16 10 44 o 23.063  5.71924 4.14034      2.47716  4.43634      2.54515  21.8319     35.4119     3.85007     35.4119     
1 1 1 16 10 45 f 21.1286 5.30477 5.4981       2.4242   0.980691     2.44661  13.3542     45.7708     0           0           
1 1 1 16 10 46 o 14.82   4.77376 -0.318559    2.38496  0.794567     2.43286  6.96224     93.4223     2.67129     93.4223     
1 1 1 16 10 47 o 16.1596 5.0034  0.293244     2.3363   2.18013      2.46664  11.4926     167.497     1.12814     347.497     
1 1 1 16 10 48 o 13.7492 4.46829 1.21682      2.21196  -2.02736     2.31045  7.4754      219.371     0.19174     219.371     
1 1 1 16 10 49 o 13.3574 4.42195 -0.437307    2.27172  -0.429338    2.27895  3.63717     305.297     2.70436     125.297     
1 1 1 16 10 50 o 13.5799 4.46819 -0.630661    2.24679  0.285977     2.29403  1.5356      185.436     0.964097    5.43615     
1 1 1 16 10 51 o 16.8692 5.19576 1.94506      2.36083  2.79716      2.69281  10.1519     357.672     3.21767     357.672     
1 1 1 16 10 52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 11 0  o 66.6951 3.84071 24.8176      3.88237  24.8176      3.88237  56.1662     4.45401e-06 23.3932     180         
1 1 1 16 11 1  o 66.5076 3.79804 26.3415      3.83809  22.6846      3.85522  57.0285     354.691     14.1583     174.691     
1 1 1 16 11 2  o 41.1488 5.57555 6.7209       3.37853  13.1006      3.37929  13.7977     188.776     47.2088     8.7762      
1 1 1 16 11 3  o 43.5729 5.31931 12.654       3.38499  9.1276       3.44226  14.9038     328.058     50.6625     148.058     
1 1 1 16 11 4  o 149     2.6244  124.835      6.04718  118.24       5.98887  149.352     213.86      1.12651     33.8601     
1 1 1 16 11 5  o 90.6678 3.13936 46.466       4.38898  43.9326      4.34897  94.7105     253.039     11.0039     253.039     
1 1 1 16 11 6  o 88.4215 2.87372 43.3051      3.89912  42.5446      3.90533  73.2674     165.462     28.3257     345.462     
1 1 1 16 11 7  o 61.8268 3.53247 20.415       3.35615  21.8965      3.30722  55.3252     151.542     6.70434     331.542     
1 1 1 16 11 8  o 32.292  5.6205  5.46046      2.76878  6.64645      2.79438  9.85794     86.2511     31.1824     266.251     
1 1 1 16 11 9  o 99.887  2.69099 59.8487      4.1447   49.8514      4.09612  57.7308     286.617     83.8145     106.617     
1 1 1 16 11 10 o 62.383  3.60215 19.7267      3.42902  23.5006      3.40637  42.2745     82.3622     35.4004     262.362     
1 1 1 16 11 11 o 98.2922 2.88799 56.0549      4.38404  50.2367      4.33193  140.2       216.903     91.6248     216.903     
1 1 1 16 11 12 f 18.1023 5.35828 0.0528455    2.52184  0.715702     2.5026   40.1053     254.846     0           0           
1 1 1 16 11 13 o 27.9037 5.63557 4.44904      2.58595  4.54282      2.49848  0.91216     99.9327     44.8886     99.9327     
1 1 1 16 11 14 o 110.83  2.47199 68.896       4.36357  65.9353      4.06321  100.698     330.953     19.0849     150.953     
1 1 1 16 11 15 f 56.4347 3.37767 17.1973      2.79699  18.2109      3.01877  71.6801     30.8134     0           0           
1 1 1 16 11 16 o 20.8354 5.375   3.45995      2.53491  0.265291     2.18158  4.09346     113.602     33.5636     113.602     
1 1 1 16 11 17 o 74.656  3.67703 33.6272      4.34706  28.6025      4.05198  81.0911     254.347     17.2204     254.347     
1 1 1 16 11 18 o 31.1077 5.93236 5.87449      2.80486  5.60572      3.01323  15.246      22.3441     21.9665     202.344     
1 1 1 16 11 19 o 16.6102 4.8876  0.0441742    2.05239  0.827759     2.09943  2.89157     210.911     21.2408     210.911     
1 1 1 16 11 20 o 27.2368 5.35225 3.75987      2.4604   4.96412      2.23641  2.6298      6.61166     43.48       186.612     
1 1 1 16 11 21 o 32.8999 4.99355 7.50759      2.44123  5.34385      2.47761  16.1152     329.395     28.8115     149.395     
1 1 1 16 11 22 o 36.2254 4.43516 5.69181      2.25417  9.84489      2.47239  34.0911     87.5801     1.37815     87.5801     
1 1 1 16 11 23 o 32.0617 4.63328 4.01412      2.21684  8.37314      2.22278  9.00892     46.9431     42.6098     226.943     
1 1 1 16 11 24 o 17.7806 4.90309 1.75606      1.97913  0.639193     1.93879  1.41403     11.7117     0.430231    191.712     
1 1 1 16 11 25 o 51.648  3.66503 15.3648      3.06098  15.0259      2.6779   59.0656     190.349     19.1146     190.349     
1 1 1 16 11 26 o 23.1355 5.28825 4.0304       2.08965  1.983        2.38522  16.8526     78.5421     1.45403     258.542     
1 1 1 16 11 27 o 63.4815 3.01518 21.6624      2.79406  23.706       3.06808  75.7475     248.835     28.1643     248.835     
1 1 1 16 11 28 o 49.3551 3.33435 12.464       2.49453  15.3404      2.48512  44.5365     118.608     6.2478      298.608     
1 1 1 16 11 29 o 51.6906 3.28075 17.4103      2.59072  13.1521      2.53789  51.447      260.442     2.82604     260.442     
1 1 1 16 11 30 o 31.5693 4.65847 4.71088      2.17987  7.51756      2.21491  34.6213     119.034     11.853      119.034     
1 1 1 16 11 31 o 20.4933 4.96171 3.77028      2.04881  0.640062     2.0345   10.9596     338.524     14.4194     158.524     
1 1 1 16 11 32 o 16.474  4.77862 -0.064223    2.01222  1.53484      1.9585   9.55513     36.7024     1.70841     216.702     
1 1 1 16 11 33 o 19.0712 4.70421 -1.19899     2.05691  3.94873      2.04421  11.6741     156.297     7.0718      336.297     
1 1 1 16 11 34 o 48.632  3.44429 14.2111      2.53471  13.4496      2.55196  54.5337     315.522     16.4055     315.522     
1 1 1 16 11 35 o 25.1434 5.26095 4.13938      2.16113  4.07748      2.19954  15.9464     324.067     12.735      144.067     
1 1 1 16 11 36 o 20.4904 5.43167 3.4791       2.34179  1.01289      2.51228  9.08445     56.9801     16.5592     236.98      
1 1 1 16 11 37 o 22.8158 5.70346 3.63331      2.57201  3.2921       2.42954  11.077      41.3536     18.0265     221.354     
1 1 1 16 11 38 f 38.0065 4.65414 11.0272      2.59391  7.77175      2.60538  30.892      329.219     0           0           
1 1 1 16 11 39 o 14.2625 4.49502 -1.27467     2.0288   0.821142     2.06631  5.74372     226.777     0.340624    226.777     
1 1 1 16 11 40 o 19.3026 5.13349 4.75683      2.54275  -1.15782     2.26829  10.5304     299.669     12.7733     119.669     
1 1 1 16 11 41 o 25.0845 5.08515 -1.51352     3.02409  8.73278      2.72561  22.6531     275.393     0.979774    275.393     
1 1 1 16 11 42 o 17.8615 5.35906 1.53543      2.49059  1.78442      2.63149  12.7377     5.26115     0.931401    185.261     
1 1 1 16 11 43 o 17.1325 5.23503 0.812532     2.28983  2.03405      2.75129  11.6517     87.132      4.26708     267.132     
1 1 1 16 11 44 o 13.9117 4.49965 -2.49804     2.23424  1.22168      2.28473  9.00293     345.952     2.15798     345.952     
1 1 1 16 11 45 o 14.0042 4.54233 -1.53976     2.23237  0.945408     2.30127  8.06999     161.137     1.45241     161.137     
1 1 1 16 11 46 o 19.7961 5.49658 1.72752      2.5658   4.43136      2.54055  16.5906     255.646     0.848135    255.646     
1 1 1 16 11 47 o 14.1752 4.60651 -1.88366     2.24505  1.58611      2.46393  7.99421     339.04      4.23819     159.04      
1 1 1 16 11 48 o 20.5991 5.49541 4.47257      2.41813  2.95552      2.41006  17.0591     183.174     2.78894     183.174     
1 1 1 16 11 49 o 21.1206 5.61673 3.68016      2.47752  4.45895      2.49986  16.1691     90.3612     4.15179     90.3612     
1 1 1 16 11 50 o 12.3623 4.18752 -0.927245    2.34013  -1.15705     2.21099  2.1713      130.975     1.73321     310.975     
1 1 1 16 11 51 o 18.2228 5.27197 1.7124       2.46556  4.41236      2.44079  13.3933     270.492     2.49378     90.4919     
1 1 1 16 11 52 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 12 0  o 158.581 2.59983 137.529      6.34102  137.529      6.34102  85.4783     9.90829e-07 150.093     180         
1 1 1 16 12 1  o 187.893 2.31111 198.825      6.68214  187.427      6.68697  228.043     259.45      79.0135     259.45      
1 1 1 16 12 2  o 27.893  5.9998  4.37341      2.80885  4.4316       2.80403  5.98273     104.37      21.4284     284.37      
1 1 1 16 12 3  o 63.7009 3.65199 20.4321      3.63778  24.6456      3.4101   66.7145     269.028     14.497      269.028     
1 1 1 16 12 4  o 31.4942 5.72787 5.06136      2.77134  6.47699      2.83536  11.2279     279.35      22.9582     99.3499     
1 1 1 16 12 5  o 51.7891 3.97609 13.6524      3.12053  16.3639      3.09141  50.1068     162.642     8.55602     162.642     
1 1 1 16 12 6  o 123.002 2.51663 84.4382      4.7571   81.426       4.76501  111.445     250.62      22.1297     70.62       
1 1 1 16 12 7  o 75.2404 3.26382 29.1448      3.74818  33.43        3.76526  65.2856     296.211     15.1732     116.211     
1 1 1 16 12 8  o 57.4376 3.87161 16.1361      3.38954  20.7853      3.31495  55.2495     309.281     5.07683     309.281     
1 1 1 16 12 9  o 84.9421 2.94519 42.404       4.00137  37.1452      3.6817   71.1485     249.708     24.0274     69.7081     
1 1 1 16 12 10 o 75.5103 2.9994  35.5655      3.51675  27.5752      3.40005  76.4682     308.548     7.49291     308.548     
1 1 1 16 12 11 o 26.2153 5.34803 6.22903      2.55312  1.32331      2.4548   0.248412    175.925     37.5667     355.925     
1 1 1 16 12 12 o 97.7726 2.51068 61.0351      3.81304  44.6187      3.68282  102.789     239.423     13.22       239.423     
1 1 1 16 12 13 o 24.1755 5.60513 3.87925      2.29002  2.35229      2.63432  3.12653     139.223     23.0931     319.223     
1 1 1 16 12 14 o 84.6789 2.75389 41.642       3.57514  37.4559      3.57936  88.2949     245.293     10.9442     245.293     
1 1 1 16 12 15 o 133.567 2.30001 95.8742      4.85041  99.9652      4.59602  152.775     342.237     39.9041     342.237     
1 1 1 16 12 16 o 67.592  2.9814  26.1921      3.06676  24.4547      3.10414  71.0112     259.047     11.4472     259.047     
1 1 1 16 12 17 o 34.9077 4.87696 6.33512      2.53017  7.93499      2.52317  31.5375     193.892     16.8296     193.892     
1 1 1 16 12 18 o 79.3305 2.93695 33.7464      3.57932  36.0804      3.56758  88.3457     321.689     21.2172     321.689     
1 1 1 16 12 19 o 38.2795 4.30192 8.60419      2.44651  8.30385      2.45486  21.9906     130.64      28.3282     310.64      
1 1 1 16 12 20 o 34.5584 5.09871 4.96698      2.85151  9.3335       2.40308  27.3454     38.7118     8.96954     218.712     
1 1 1 16 12 21 o 64.9498 3.99373 23.2736      4.57562  24.688       3.09838  46.3437     88.6424     34.9121     268.642     
1 1 1 16 12 22 o 39.0918 4.66451 8.47508      2.85857  9.4706       2.52468  23.4264     318.906     27.6001     138.906     
1 1 1 16 12 23 o 19.465  5.10928 1.57021      2.10562  2.05438      1.98759  6.65536     209.935     0.048558    29.9352     
1 1 1 16 12 24 o 47.6042 3.48239 14.8481      2.48553  11.065       2.49177  40.1123     16.5065     11.4005     196.507     
1 1 1 16 12 25 o 50.6432 3.30341 12.9157      2.53986  16.271       2.51961  48.9549     19.4183     0.41713     19.4182     
1 1 1 16 12 26 o 68.3815 2.7616  24.6435      2.8827   27.7426      2.90182  65.583      21.6132     2.43744     201.613     
1 1 1 16 12 27 o 54.1937 3.12689 16.0017      2.60346  17.2623      2.56482  46.6915     345.187     11.6887     165.187     
1 1 1 16 12 28 o 33.8982 4.61035 7.83831      2.26282  6.04838      2.36088  32.5235     268.094     2.27172     268.094     
1 1 1 16 12 29 o 50.7952 3.38234 13.5093      2.54881  16.1444      2.67216  62.999      234.91      28.5117     234.91      
1 1 1 16 12 30 o 37.8951 4.5811  9.98362      2.32465  7.48208      2.72828  41.2095     302.719     11.0871     302.719     
1 1 1 16 12 31 o 26.2666 5.13591 5.76255      2.16304  2.91462      2.32457  19.3374     135.309     8.76541     315.309     
1 1 1 16 12 32 o 23.7591 5.0875  4.97854      2.14429  2.05845      2.11695  18.5136     147.412     3.59048     327.412     
1 1 1 16 12 33 o 42.4777 3.85568 10.9497      2.47743  10.5701      2.45019  36.9131     300.697     6.77203     120.697     
1 1 1 16 12 34 o 17.3264 4.8638  2.43366      2.08184  -0.322674    2.02011  8.99566     110.655     0.892887    290.655     
1 1 1 16 12 35 o 37.4189 4.7899  10.1423      2.67149  7.68929      2.62713  35.0178     7.96884     0.55005     7.96882     
1 1 1 16 12 36 o 23.9725 5.54042 5.14882      2.46104  2.55676      2.41674  20.3928     206.191     12.6526     206.191     
1 1 1 16 12 37 o 50.3278 3.79054 15.4685      2.97619  15.4884      2.80403  54.3879     17.9594     13.2287     17.9594     
1 1 1 16 12 38 o 37.1544 4.74635 9.78036      2.69107  8.49276      2.54062  27.0764     298.499     15.8514     118.499     
1 1 1 16 12 39 o 51.7542 3.69768 17.3821      2.88956  15.7581      2.91342  51.9734     342.283     5.24864     342.283     
1 1 1 16 12 40 o 22.8593 5.93172 4.61998      2.92773  3.34186      2.5459   18.4505     66.0068     2.30243     246.007     
1 1 1 16 12 41 o 25.4385 5.69446 4.50434      2.38177  5.53744      2.62298  23.239      15.4689     2.53807     15.4689     
1 1 1 16 12 42 o 21.3423 5.38044 1.7775       2.43767  4.82634      2.33405  11.8291     30.8847     14.1232     210.885     
1 1 1 16 12 43 o 15.7812 5.13385 -0.299518    2.67478  0.705215     3.04286  12.1504     212.4       1.151       212.4       
1 1 1 16 12 44 o 18.264  5.421   1.03188      2.61595  3.31093      2.6527   13.2526     216.871     3.54494     36.8713     
1 1 1 16 12 45 o 18.8027 5.01856 5.22945      2.447    -1.28799     2.33683  8.07506     76.2936     16.5285     256.294     
1 1 1 16 12 46 o 18.494  5.45573 2.71594      2.48943  2.67839      2.68663  15.413      56.0935     7.26557     56.0935     
1 1 1 16 12 47 o 15.6616 4.94926 0.921264     2.37177  1.28901      2.50747  6.75519     199.597     1.58149     199.597     
1 1 1 16 12 48 o 14.7103 4.72454 1.4072       2.35525  -0.546053    2.37906  2.57401     189.237     15.3852     9.23721     
1 1 1 16 12 49 o 15.5366 4.94692 1.05494      2.58059  1.37537      2.40902  7.73536     279.371     3.56298     99.3714     
1 1 1 16 12 50 o 20.8119 5.53414 5.7147       2.50509  3.06529      2.52071  19.3437     224.453     6.8508      224.453     
1 1 1 16 12 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 13 0  o 77.3257 2.835   32.9512      3.35489  32.9512      3.35489  121.276     1.53694e-05 88.4212     1.53694e-05 
1 1 1 16 13 1  o 73.8013 2.91114 26.7619      3.28419  33.4405      3.27211  60.5053     190.405     21.5109     10.4054     
1 1 1 16 13 2  o 63.0786 3.20992 23.7887      3.10538  20.2985      3.07499  74.3151     207.407     34.6001     207.407     
1 1 1 16 13 3  o 33.7917 5.25351 7.67373      2.63461  5.63361      2.69698  17.0644     69.6083     16.0238     249.608     
1 1 1 16 13 4  f 133.682 2.41476 96.6575      4.97566  99.313       4.9571   89.5234     175.448     0           0           
1 1 1 16 13 5  o 36.861  5.04988 5.51834      2.77612  10.4469      2.71112  7.82369     156.501     49.5564     336.501     
1 1 1 16 13 6  o 49.5523 3.92054 15.26        2.94623  12.3441      2.907    28.7263     194.616     34.7316     14.6155     
1 1 1 16 13 7  o 56.9181 3.50624 18.4328      3.08638  17.6172      2.99876  47.5121     254.933     11.7376     74.9327     
1 1 1 16 13 8  o 56.4326 3.54132 14.9522      3.00544  20.7516      3.01443  68.7894     185.554     40.6515     185.554     
1 1 1 16 13 9  o 21.795  5.60707 3.14277      2.42278  1.06828      2.60159  9.62606     221.493     50.6646     221.493     
1 1 1 16 13 10 o 57.3692 3.37869 20.4792      2.86587  16.2553      2.99613  51.9732     131.594     4.17071     311.594     
1 1 1 16 13 11 o 48.9192 3.58469 14.6869      2.66789  12.1619      2.6356   27.3554     334.643     37.6851     154.643     
1 1 1 16 13 12 o 67.0203 2.99771 27.253       3.16283  22.6014      2.98599  70.329      71.2591     12.1763     71.2591     
1 1 1 16 13 13 o 40.4146 4.18486 8.72648      2.59229  9.91387      2.43822  13.2896     348.101     49.1132     168.101     
1 1 1 16 13 14 o 15.8217 4.82012 0.344245     2.11167  -0.579017    2.17699  4.27517     54.1316     22.2603     54.1316     
1 1 1 16 13 15 o 105.251 2.50105 63.0959      4.06353  59.0466      4.02973  102.281     154.969     3.52664     334.969     
1 1 1 16 13 16 o 84.7745 2.89378 42.1743      3.85031  37.5841      3.68096  76.4958     347.776     13.895      167.776     
1 1 1 16 13 17 o 59.232  3.83723 20.5654      3.84734  19.1094      3.04718  64.294      235.259     14.3903     235.259     
1 1 1 16 13 18 o 33.9221 5.35353 6.20639      2.96314  7.55842      2.49664  25.5129     193.447     11.126      13.4466     
1 1 1 16 13 19 o 42.292  3.97293 9.62086      2.5322   10.9105      2.50175  35.6994     353.818     8.79047     173.818     
1 1 1 16 13 20 o 77.4036 2.96929 35.6351      3.41431  31.2885      3.6084   75.4642     254.7       0.886457    74.7007     
1 1 1 16 13 21 o 20.8805 5.51361 3.08682      2.66347  1.15205      2.14898  9.81021     50.8244     0.99115     50.8244     
1 1 1 16 13 22 o 52.9458 3.21757 13.8624      2.58146  17.8965      2.57485  56.321      293.237     11.1118     293.237     
1 1 1 16 13 23 o 24.1861 5.11165 3.38978      2.05299  3.63521      2.04868  6.04269     357.044     31.0768     177.044     
1 1 1 16 13 24 o 20.8532 5.15715 1.08819      2.2379   3.34188      2.05043  9.81907     58.4875     13.8695     238.488     
1 1 1 16 13 25 o 84.2326 2.72968 42.292       3.61611  37.1436      3.44404  89.722      128.593     14.8246     128.593     
1 1 1 16 13 26 o 62.3558 3.00944 20.159       2.93684  23.7911      2.77229  66.6526     77.9662     12.5267     77.9662     
1 1 1 16 13 27 o 17.0169 4.87895 0.867398     2.04696  1.05874      1.93958  6.91074     99.2502     12.8898     279.25      
1 1 1 16 13 28 o 31.7009 4.71337 6.00817      2.23047  6.29495      2.22513  30.559      88.2004     2.30265     88.2004     
1 1 1 16 13 29 o 30.4584 4.93603 6.45907      2.20673  5.14394      2.33764  32.6581     272.365     10.5464     272.365     
1 1 1 16 13 30 o 39.9381 4.03231 7.99792      2.3767   11.1536      2.37671  31.0009     239.93      13.8435     59.9303     
1 1 1 16 13 31 o 20.9073 5.19008 2.37031      2.05539  2.84755      2.08748  16.2767     334.272     2.54791     334.272     
1 1 1 16 13 32 o 54.896  3.26326 16.8705      2.72166  18.1018      2.74205  70.3746     12.6448     36.9068     12.6448     
1 1 1 16 13 33 o 41.1329 4.03397 9.14016      2.40201  11.3426      2.56038  37.0457     308.973     3.10798     128.973     
1 1 1 16 13 34 o 23.1981 5.59816 4.12949      2.44704  2.9172       2.38724  14.4137     333.736     10.9705     153.736     
1 1 1 16 13 35 o 33.2334 5.21553 6.18928      2.59963  8.63686      2.62189  36.7286     200.57      14.218      200.57      
1 1 1 16 13 36 o 43.4324 3.96239 12.4225      2.57532  10.9625      2.5879   53.3013     52.6727     25.9066     52.6727     
1 1 1 16 13 37 o 31.4725 5.43573 7.08767      2.59436  6.90663      2.62898  26.8014     65.1292     4.18227     245.129     
1 1 1 16 13 38 f 28.5652 5.49249 6.73914      2.55811  5.15517      2.42617  31.0518     43.9929     0           0           
1 1 1 16 13 39 o 34.699  5.58771 9.45878      3.33487  8.13854      2.50479  38.2665     54.8006     13.6233     54.8005     
1 1 1 16 13 40 f 14.3812 4.68634 0.0955481    2.40041  -1.20024     2.4409   7.15472     23.9092     0           0           
1 1 1 16 13 41 o 15.5942 4.83663 0.923093     2.24458  0.557714     2.21081  10.5359     220.921     1.40336     40.9211     
1 1 1 16 13 42 o 14.7248 4.76106 0.10695      2.16607  -0.0671878   2.67079  10.3295     353.894     3.07978     353.894     
1 1 1 16 13 43 o 30.1924 5.55744 5.3002       2.87013  9.5242       2.65169  29.7571     110.923     5.1424      110.923     
1 1 1 16 13 44 o 15.2179 4.87823 0.890505     2.65274  0.233166     2.26852  9.1342      4.4078      2.63139     4.4078      
1 1 1 16 13 45 f 16.234  5.13778 -0.0353392   2.88638  2.10122      2.5539   8.18375     321.366     0           0           
1 1 1 16 13 46 o 20.8238 5.8271  2.70259      2.55941  5.46478      3.02882  17.7857     294.493     3.92889     294.493     
1 1 1 16 13 47 o 14.9538 4.81084 1.21795      2.36857  -0.193365    2.55224  5.22494     226.109     3.50775     46.1088     
1 1 1 16 13 48 o 15.9595 5.01284 1.05391      2.4301   1.86005      2.50628  5.87174     307.41      0.654561    307.41      
1 1 1 16 13 49 o 14.421  4.65406 -1.0305      2.42584  2.10789      2.3483   6.10264     224.378     1.07638     224.378     
1 1 1 16 13 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 14 0  o 54.4924 3.80463 16.7777      3.11598  16.7777      3.11598  76.9668     180         49.1675     180         
1 1 1 16 14 1  o 33.757  5.41303 7.83601      2.77353  5.56339      2.74774  22.7922     194.841     2.71661     14.8407     
1 1 1 16 14 2  o 58.7763 3.49655 21.47        3.21142  17.1229      3.04333  52.5905     272.079     5.51495     92.0794     
1 1 1 16 14 3  o 17.0558 4.99751 2.14922      2.50069  -3.21093     2.33392  20.698      61.1031     64.5778     61.1031     
1 1 1 16 14 4  o 125.271 2.61395 88.4932      4.98122  84.121       5.08671  143.334     239.956     39.7374     239.956     
1 1 1 16 14 5  o 63.578  3.6099  21.0355      3.30151  24.0899      3.71127  65.6987     69.5794     11.2097     69.5794     
1 1 1 16 14 6  o 35.3094 5.16036 9.55661      2.78854  5.22043      2.66134  20.9839     132.402     18.2719     312.402     
1 1 1 16 14 7  o 18.5866 5.26203 0.26567      2.38154  1.64413      2.25868  14.4231     327.36      55.6116     327.36      
1 1 1 16 14 8  o 20.9077 5.4947  2.26122      2.39522  1.7269       2.33143  2.20401     60.2276     8.32838     240.228     
1 1 1 16 14 9  o 108.947 2.43675 68.6337      4.19205  62.0312      3.974    126.883     231.722     39.8049     231.722     
1 1 1 16 14 10 o 116.286 2.43614 74.3898      4.3625   74.4173      4.3525   128.103     115.257     27.0496     115.257     
1 1 1 16 14 11 o 64.135  3.13071 26.0177      3.10149  19.9379      3.0113   71.8245     231.919     21.1703     231.919     
1 1 1 16 14 12 o 62.2739 3.18329 25.4484      3.0516   18.0831      2.95509  60.2443     243.619     0.595651    243.618     
1 1 1 16 14 13 o 108.357 2.58078 65.8841      4.46949  63.7687      4.12842  120.142     118.752     26.9047     118.752     
1 1 1 16 14 14 o 71.0123 3.41887 27.9906      3.86179  28.479       3.5604   76.2481     201.253     14.4479     201.253     
1 1 1 16 14 15 o 21.2236 5.37347 2.5642       2.24045  2.05212      2.22037  0.262706    30.3186     35.814      210.319     
1 1 1 16 14 16 o 64.7657 3.22751 23.5585      3.17989  23.4336      3.21636  78.2884     9.83835     31.7057     9.83835     
1 1 1 16 14 17 o 33.1853 4.92737 5.30112      2.3923   7.90158      2.49529  29.6591     213.04      0.0317496   33.0409     
1 1 1 16 14 18 o 31.7124 4.70073 4.76027      2.22274  7.26865      2.23095  29.7912     348.539     4.09478     348.539     
1 1 1 16 14 19 o 23.3547 5.2824  3.81044      2.28454  2.56913      2.03127  16.0184     196.853     4.48193     196.853     
1 1 1 16 14 20 o 87.6396 2.71701 43.319       3.64833  42.2575      3.66663  88.2721     162.533     5.11225     162.533     
1 1 1 16 14 21 o 23.0418 4.84711 5.15908      2.05937  0.451073     2.22046  15.6103     238.636     5.30702     58.6356     
1 1 1 16 14 22 o 51.7552 3.26499 13.9765      2.57007  16.4518      2.56294  54.7722     117.78      10.8471     117.78      
1 1 1 16 14 23 o 29.4228 4.87897 6.62949      2.15824  3.9534       2.25075  16.4894     159.59      20.6801     339.59      
1 1 1 16 14 24 o 27.7493 4.59406 7.77764      2.15092  1.68467      2.10869  7.35194     339.363     36.6937     159.363     
1 1 1 16 14 25 f 17.2617 4.86432 1.1856       1.95076  1.06828      1.93677  22.959      256.544     0           0           
1 1 1 16 14 26 o 34.797  4.72827 6.75769      2.2522   8.0114       2.63462  36.7621     197.898     9.10967     197.898     
1 1 1 16 14 27 o 43.4662 3.70789 12.1966      2.4325   9.93077      2.40678  45.2377     77.859      7.88029     77.859      
1 1 1 16 14 28 o 23.2671 5.19614 2.93842      2.11823  3.79397      2.07341  11.14       325.317     19.2721     145.317     
1 1 1 16 14 29 o 37.0659 4.44319 8.72812      2.56812  8.07942      2.32305  36.6221     56.0533     4.62483     56.0533     
1 1 1 16 14 30 o 47.0997 3.69339 12.8454      2.70492  13.3666      2.55363  36.4276     254.498     16.7514     74.4977     
1 1 1 16 14 31 o 21.716  5.33946 3.5074       2.2769   2.29296      2.12584  15.8213     173.16      2.75868     353.16      
1 1 1 16 14 32 o 31.0107 5.11671 9.19959      2.55846  3.58977      2.48079  25.2438     173.745     5.44109     353.745     
1 1 1 16 14 33 o 31.7922 5.29061 7.32064      2.58342  6.15503      2.51766  29.6004     314.857     2.14436     314.857     
1 1 1 16 14 34 o 13.7229 4.40602 -0.891423    2.03341  -0.235675    2.02495  4.21228     274.46      6.91464     94.4598     
1 1 1 16 14 35 o 18.2922 5.23766 0.654684     2.11992  2.75275      2.51958  12.0401     16.0941     4.16244     196.094     
1 1 1 16 14 36 o 25.3612 5.38815 2.46292      2.46188  6.68144      2.4746   26.3238     229.93      9.40855     229.93      
1 1 1 16 14 37 o 24.1875 5.18918 6.93238      2.47675  1.07567      2.43606  25.9144     85.6611     11.6207     85.6611     
1 1 1 16 14 38 o 20.6346 5.49105 2.11629      2.30827  3.81499      2.49064  11.1457     130.76      13.2373     310.76      
1 1 1 16 14 39 f 14.9694 4.86226 -0.24406     2.35875  -0.280816    2.75521  13.004      57.1818     0           0           
1 1 1 16 14 40 o 19.7263 5.5136  2.77539      2.32429  2.83101      2.6411   17.3391     19.4935     3.38882     19.4935     
1 1 1 16 14 41 o 17.2597 5.03195 3.10767      2.29705  -0.0500267   2.29159  13.9143     331.086     0.406582    331.086     
1 1 1 16 14 42 o 21.7322 5.57482 2.67328      2.45945  5.06612      2.50559  12.6504     191.574     12.8577     11.5742     
1 1 1 16 14 43 o 25.1784 5.97609 5.04979      2.70331  6.33014      2.79015  24.5772     116.359     18.6908     116.359     
1 1 1 16 14 44 o 19.9725 5.49827 3.58517      2.43684  3.22316      2.4317   18.2727     156.555     6.19234     156.555     
1 1 1 16 14 45 o 13.4862 4.54497 -0.966859    2.90859  -0.880713    2.29493  4.92047     131.871     7.86306     311.871     
1 1 1 16 14 46 o 26.96   6.21874 4.3485       3.22161  10.1424      3.29449  26.3081     93.4199     10.5392     93.4199     
1 1 1 16 14 47 o 25.0918 5.97206 8.55607      2.90774  3.8758       3.23458  24.0553     335.258     9.48602     335.258     
1 1 1 16 14 48 o 13.6128 4.49732 1.0018       2.3117   -0.973983    2.43641  5.46193     269.7       7.7286      89.7002     
1 1 1 16 14 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 15 0  o 54.9562 4.07864 17.1915      3.35643  17.1915      3.35643  28.6367     1.17211e-06 51.9647     180         
1 1 1 16 15 1  o 28.1327 5.86351 3.45015      2.59363  5.86788      2.90502  15.0161     51.6015     12.4902     231.602     
1 1 1 16 15 2  o 56.8443 3.66029 20.1405      3.08258  16.2013      3.2037   37.8239     57.3801     33.1787     237.38      
1 1 1 16 15 3  o 48.2986 3.98154 15.3969      2.97956  11.1665      2.79177  47.7198     70.8191     6.76478     70.8191     
1 1 1 16 15 4  o 16.7861 5.04402 0.514271     2.30201  -0.171112    2.26015  11.897      289.191     47.2795     289.191     
1 1 1 16 15 5  o 40.0526 4.82468 10.0239      2.84907  8.6174       2.87778  18.1345     158.017     38.1641     338.017     
1 1 1 16 15 6  o 50.6546 3.62392 14.5832      2.80626  14.2831      2.76958  37.8524     151.643     20.3414     331.643     
1 1 1 16 15 7  o 26.2405 5.39003 5.53638      2.42042  2.43361      2.39208  6.42389     168.443     31.7287     348.443     
1 1 1 16 15 8  o 25.4278 5.39961 5.14689      2.39049  2.26121      2.36706  8.95543     176.975     24.2536     356.975     
1 1 1 16 15 9  o 74.3111 3.25804 33.7326      3.97094  28.0185      3.45479  82.4677     108.761     21.0683     108.761     
1 1 1 16 15 10 o 21.4576 5.74235 0.812698     2.80539  2.98592      2.56396  1.23847     299.793     38.6499     299.793     
1 1 1 16 15 11 o 77.8751 2.94698 33.2769      3.70616  34.178       3.31791  82.8552     309.392     14.0098     309.392     
1 1 1 16 15 12 o 64.7873 3.12796 26.3011      3.21754  20.7768      2.97631  90.5268     323.295     58.2816     323.295     
1 1 1 16 15 13 o 26.9722 5.42584 4.85144      2.45396  3.87941      2.27709  23.2767     3.88813     7.17913     3.88813     
1 1 1 16 15 14 o 19.0657 5.3656  0.915012     2.61883  1.58694      2.14289  7.22659     15.9612     3.37167     195.961     
1 1 1 16 15 15 o 18.1248 5.12369 1.12233      2.24549  1.13083      2.08113  4.27151     239.967     1.80301     59.9674     
1 1 1 16 15 16 o 49.1243 3.75439 14.8016      2.87246  12.7845      2.71447  56.3843     186.265     20.591      186.265     
1 1 1 16 15 17 o 29.7901 5.1174  3.78327      2.45172  6.99544      2.31351  24.9857     2.2788      16.8766     2.2788      
1 1 1 16 15 18 o 92.181  2.54948 47.5134      3.72721  46.9498      3.49397  127.749     154.782     76.9906     154.782     
1 1 1 16 15 19 o 45.6103 3.92722 11.1482      2.86447  12.9178      2.45962  38.7083     355.389     8.99682     175.389     
1 1 1 16 15 20 o 21.707  5.26445 4.01743      2.30518  1.0025       2.1863   1.34973     174.958     35.2477     354.958     
1 1 1 16 15 21 o 73.3277 2.88047 29.3123      3.20715  31.0652      3.27179  81.3477     262.338     21.1157     262.338     
1 1 1 16 15 22 o 17.4002 4.82275 -0.135074    2.00255  2.12887      1.95009  1.58681     304.724     32.4422     304.724     
1 1 1 16 15 23 o 21.8949 5.1248  2.13557      2.04704  3.44791      2.03534  17.323      215.962     0.21897     35.9625     
1 1 1 16 15 24 o 20.2807 5.08388 2.77287      2.02436  1.76669      1.98579  3.01662     162.754     30.2303     342.754     
1 1 1 16 15 25 o 12.7616 4.13158 -1.17204     1.82827  -0.788903    1.83051  3.43443     244.849     8.05131     64.8493     
1 1 1 16 15 26 o 29.815  5.05852 5.73938      2.18653  5.47239      2.4028   20.1745     129.832     14.443      309.832     
1 1 1 16 15 27 o 30.1607 4.81016 6.72216      2.2059   4.73817      2.17667  19.8768     199.957     15.5176     19.9569     
1 1 1 16 15 28 o 11.6873 3.89045 -2.18052     1.79832  -1.12852     1.82423  0.369426    290.528     2.83398     110.528     
1 1 1 16 15 29 o 21.8756 5.20959 3.6623       2.1195   2.23516      2.09941  16.2052     21.3085     2.24548     201.309     
1 1 1 16 15 30 o 17.0769 4.89608 1.17032      1.98529  1.14933      2.02617  6.61384     214.852     11.9543     34.8517     
1 1 1 16 15 31 o 18.4126 5.12378 0.101285     2.26415  2.7789       2.22594  10.4257     198.441     1.56654     198.441     
1 1 1 16 15 32 o 15.5535 4.75696 1.63101      2.24636  -1.65125     2.16626  6.04645     356.992     1.33812     176.992     
1 1 1 16 15 33 o 19.4078 5.22677 1.398        2.32999  2.90117      2.11469  12.0873     151.038     6.92154     331.038     
1 1 1 16 15 34 o 22.1843 5.34787 2.52992      2.19538  4.22908      2.26168  17.5722     264.03      2.30116     84.03       
1 1 1 16 15 35 o 20.9682 5.4346  2.65286      2.32008  3.37588      2.28993  18.5787     249.955     2.79238     249.955     
1 1 1 16 15 36 o 21.7473 5.47516 3.5208       2.3346   3.23679      2.28271  17.4386     119.097     1.87353     299.097     
1 1 1 16 15 37 o 18.1859 5.12848 2.73195      2.20632  1.09986      2.20463  10.4486     316.08      8.50194     136.08      
1 1 1 16 15 38 o 18.8677 5.3232  4.5606       2.77548  -0.385147    2.22986  13.5749     75.8698     2.7963      255.87      
1 1 1 16 15 39 o 27.8934 5.82911 8.89573      2.95788  3.97409      2.74638  25.6442     50.5507     1.68989     50.5508     
1 1 1 16 15 40 o 28.6551 5.53685 8.04044      2.61811  5.0776       2.52436  33.0644     341.147     16.2513     341.147     
1 1 1 16 15 41 o 33.0312 5.29012 8.35517      2.60424  8.36062      2.65206  39.9607     282.707     21.6457     282.707     
1 1 1 16 15 42 o 21.4857 5.75953 3.46718      2.45872  4.64499      2.78313  20.4539     297.472     7.20274     297.472     
1 1 1 16 15 43 o 25.7776 4.85628 -0.860261    2.6269   10.9829      2.86416  25.0174     271.332     5.33867     271.332     
1 1 1 16 15 44 o 17.461  5.12511 -0.454679    2.34188  4.21936      2.56146  10.5762     183.542     5.18825     3.54189     
1 1 1 16 15 45 o 13.3828 4.465   -0.432519    2.40268  -0.842956    2.3998   2.17125     302.483     3.02092     122.483     
1 1 1 16 15 46 f 15.667  4.95706 2.29484      2.45249  -0.237662    2.62951  9.22781     249.707     0           0           
1 1 1 16 15 47 o 15.5402 4.91855 -0.360775    2.44051  3.04294      2.56035  6.90687     249.149     9.87249     69.1495     
1 1 1 16 15 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 16 0  o 53.9121 3.6989  16.4817      2.99996  16.4817      2.99996  58.8175     8.06273e-06 11.2222     8.06272e-06 
1 1 1 16 16 1  o 51.0727 3.607   13.4525      2.6796   16.0418      2.91694  38.4888     307.161     20.5465     127.161     
1 1 1 16 16 2  o 65.5132 3.05422 21.9698      2.99456  25.9555      3.12617  71.4122     331.074     16.9539     331.074     
1 1 1 16 16 3  o 26.8172 5.61332 3.27885      2.64326  5.14507      2.42435  16.7306     140.296     11.6653     320.296     
1 1 1 16 16 4  o 21.5976 5.59053 3.02149      2.56053  1.55853      2.33724  11.3713     278.181     7.06074     98.1811     
1 1 1 16 16 5  o 46.1865 4.74147 13.3787      3.79433  11.4552      2.71938  39.5946     174.898     7.90157     354.898     
1 1 1 16 16 6  o 42.7735 4.39524 11.2389      3.00115  9.93625      2.62174  27.9846     205.199     24.8537     25.1991     
1 1 1 16 16 7  o 49.8536 3.57888 13.4065      2.67616  14.7262      2.74021  56.0149     305.893     18.5345     305.893     
1 1 1 16 16 8  f 22.8755 5.23613 4.60832      2.28814  0.875307     2.30236  23.1304     246.512     0           0           
1 1 1 16 16 9  o 21.4816 5.37255 3.61033      2.37106  0.998118     2.2551   12.1732     319.568     3.16612     139.568     
1 1 1 16 16 10 f 99.659  2.58439 54.7249      4.02264  55.3516      3.89412  89.6697     296.654     0           0           
1 1 1 16 16 11 o 44.7126 4.0758  10.9795      2.85753  12.0412      2.59256  43.3785     198.495     3.1681      198.495     
1 1 1 16 16 12 o 43.4289 4.12339 11.9567      2.64268  9.87472      2.70025  44.3302     306.928     8.09521     306.928     
1 1 1 16 16 13 o 45.9278 3.85034 12.7238      2.68682  11.4874      2.64868  35.6796     84.7841     15.5853     264.784     
1 1 1 16 16 14 o 21.6327 5.48681 4.03286      2.66911  0.767774     2.17568  13.2078     301.566     0.77175     121.566     
1 1 1 16 16 15 o 70.1681 3.08052 26.778       3.20817  28.5792      3.41692  72.5648     120.729     9.9977      120.729     
1 1 1 16 16 16 o 68.5803 3.21174 28.8727      3.37557  24.3076      3.35071  65.8003     342.709     0.479413    162.709     
1 1 1 16 16 17 o 46.0708 3.89895 12.8119      2.79092  11.7384      2.63217  39.9855     210.229     6.94827     30.229      
1 1 1 16 16 18 o 23.3592 5.47544 3.03284      2.45003  3.36621      2.15998  17.885      106.534     4.38904     106.534     
1 1 1 16 16 19 o 15.1064 4.65536 1.04663      2.12598  -2.46581     2.23203  1.47388     107.474     25.6215     107.474     
1 1 1 16 16 20 o 34.8584 4.78001 5.11523      2.33165  9.92126      2.61691  42.5827     150.757     24.988      150.757     
1 1 1 16 16 21 o 22.3119 5.14402 4.06737      2.11974  1.69043      2.11294  8.32687     53.3196     22.8398     233.32      
1 1 1 16 16 22 o 36.5406 4.48538 9.24028      2.42731  6.90596      2.4115   30.589      180.113     7.31685     0.113427    
1 1 1 16 16 23 o 50.9278 3.80037 12.4356      2.96873  18.0881      2.72756  53.3161     192.509     9.84302     192.509     
1 1 1 16 16 24 o 30.7153 4.92354 4.72747      2.29121  7.16175      2.29239  30.2947     355.816     5.64847     355.816     
1 1 1 16 16 25 o 20.559  5.1544  1.79488      2.12179  3.03161      2.03315  15.3607     215.245     0.0275162   215.245     
1 1 1 16 16 26 o 16.3107 4.95171 0.906308     2.54187  0.106928     1.89363  6.82136     125.248     2.38588     305.248     
1 1 1 16 16 27 o 13.9139 4.31119 -2.2448      1.92876  0.998044     1.86634  5.37723     194.944     32.7517     194.944     
1 1 1 16 16 28 o 22.3513 5.24022 3.04085      2.11021  3.26987      2.09723  13.8483     272.544     9.44467     92.5439     
1 1 1 16 16 29 o 25.2375 5.49674 3.3352       2.4011   5.11684      2.37532  22.0494     23.101      2.76458     23.1009     
1 1 1 16 16 30 o 35.2602 4.98253 8.95112      2.62046  7.25343      2.59917  22.4884     244.074     20.0369     64.074      
1 1 1 16 16 31 o 15.3265 4.67362 1.01952      2.01106  -0.273857    2.05703  5.26208     130.825     0.468007    310.825     
1 1 1 16 16 32 o 16.0695 4.80127 0.807966     2.05727  0.930146     2.02723  5.47642     286.819     14.4556     106.819     
1 1 1 16 16 33 o 15.2177 4.71322 0.0517521    2.13187  0.678771     2.09667  6.93173     302.561     1.70606     302.561     
1 1 1 16 16 34 o 24.4314 5.51278 4.98006      2.36979  3.76122      2.34551  23.3465     117.016     4.93698     117.016     
1 1 1 16 16 35 o 18.4424 5.26586 2.03742      2.32267  1.95497      2.29591  9.05315     11.9535     12.5885     191.954     
1 1 1 16 16 36 o 13.7644 4.44821 -2.55157     2.21059  0.851303     2.19408  5.197       56.4283     2.18753     236.428     
1 1 1 16 16 37 o 33.8103 5.44764 9.72161      3.03541  7.36867      2.51936  33.4437     144.462     5.90572     144.462     
1 1 1 16 16 38 o 19.3708 5.69906 2.74409      2.95283  2.56515      2.66899  13.7804     98.2045     4.94552     278.205     
1 1 1 16 16 39 o 15.3999 4.90013 0.597108     2.33414  0.488109     2.54466  10.9225     178.162     2.8226      178.162     
1 1 1 16 16 40 o 13.7772 4.54962 -2.0857      2.68513  0.365224     2.24745  5.89779     347.212     8.68363     167.212     
1 1 1 16 16 41 o 19.6974 5.42803 3.93306      2.36581  2.25051      2.50233  17.3482     151.562     4.54119     151.562     
1 1 1 16 16 42 o 15.0392 4.72091 -1.94997     2.32127  2.51464      2.3687   9.66818     338.12      0.636026    338.12      
1 1 1 16 16 43 o 15.7457 4.92188 1.89897      2.34147  0.386399     2.421    8.03594     71.5864     0.339836    251.586     
1 1 1 16 16 44 o 15.4515 4.90513 2.48372      2.55785  -1.19201     2.50244  3.80072     255.363     1.26584     75.3626     
1 1 1 16 16 45 o 30.0328 6.14486 8.53587      3.33774  9.02023      2.78403  31.3599     317.332     13.0877     317.332     
1 1 1 16 16 46 f 13.0213 4.40395 0.115482     2.46687  -1.56924     2.57255  7.37871     88.5904     0           0           
1 1 1 16 16 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 17 0  o 10.4114 5.08949 -2.0286      2.76917  -2.0286      2.76917  6.6415      360         22.3444     360         
1 1 1 16 17 1  o 14.6076 4.65486 -3.48178     2.55234  0.238742     2.16014  0.696186    51.3729     10.0716     231.373     
1 1 1 16 17 2  o 43.5337 4.12914 14.5329      2.59548  7.80169      2.57294  42.463      121.089     4.26254     121.089     
1 1 1 16 17 3  o 32.3489 4.95722 5.10477      2.42598  7.46801      2.38609  29.4596     282.664     2.67267     282.664     
1 1 1 16 17 4  o 17.5216 5.04437 -0.219738    2.19466  1.66495      2.19544  4.40065     319.639     13.1669     139.639     
1 1 1 16 17 5  o 25.3439 5.34493 2.62638      2.31325  4.9571       2.30435  14.1559     199.631     7.39051     199.631     
1 1 1 16 17 6  o 19.5836 5.26952 1.8949       2.21472  1.56837      2.18525  7.9103      330.866     11.3597     150.866     
1 1 1 16 17 7  o 60.6948 3.09117 19.1794      2.87972  22.2262      2.84308  52.2059     156.085     11.8058     336.085     
1 1 1 16 17 8  o 20.6284 5.44988 3.41086      2.63111  0.526947     2.18547  2.53063     283.717     29.0593     103.717     
1 1 1 16 17 9  o 42.9264 4.59763 10.8056      3.30864  10.8431      2.504    37.4256     244.209     5.01        64.2088     
1 1 1 16 17 10 o 25.6341 5.02991 0.107871     2.61212  6.83933      2.37264  18.0295     248.583     6.37396     68.5826     
1 1 1 16 17 11 o 84.8343 2.87776 42.6181      3.90177  37.9732      3.5971   77.0827     59.6258     9.70886     239.626     
1 1 1 16 17 12 o 25.7722 5.39535 5.16789      2.36088  2.85904      2.34346  14.2599     144.089     15.7911     324.089     
1 1 1 16 17 13 o 20.2579 5.29419 2.08265      2.1223   2.07752      2.24888  8.57082     327.938     1.42186     327.938     
1 1 1 16 17 14 o 18.6775 5.08097 2.33159      2.08245  0.477418     2.16672  6.10465     10.7466     0.112169    190.747     
1 1 1 16 17 15 o 42.4424 4.23256 11.9167      2.59776  9.27977      2.71811  45.5807     27.3812     13.1961     27.3812     
1 1 1 16 17 16 f 12.3607 4.07758 -0.918987    1.92507  -2.4542      1.92956  11.6258     340.942     0           0           
1 1 1 16 17 17 o 13.53   4.29867 -1.43541     1.8847   -0.065534    1.8982   1.27756     205.859     13.6277     25.8587     
1 1 1 16 17 18 o 23.3629 5.58171 3.19428      2.30004  3.31409      2.46909  16.4266     64.449      6.67483     244.449     
1 1 1 16 17 19 o 38.9463 4.97286 9.45452      2.6167   9.0932       3.10217  31.4132     163.059     10.0876     343.059     
1 1 1 16 17 20 o 24.9945 5.6275  2.45251      2.05623  5.56514      2.89547  24.8642     78.4457     8.52397     78.4457     
1 1 1 16 17 21 o 40.8049 4.27355 9.09602      2.39597  10.9158      2.81742  40.173      233.39      4.29299     233.39      
1 1 1 16 17 22 o 19.9155 5.01022 1.18411      2.00109  3.13965      2.0023   7.87554     142.262     4.1349      142.262     
1 1 1 16 17 23 o 46.076  3.71553 15.4915      2.54277  9.80026      2.50435  40.3668     258.049     5.7116      78.0487     
1 1 1 16 17 24 o 38.5256 4.17748 9.35931      2.36334  8.62864      2.4277   36.3785     212.204     2.02105     212.204     
1 1 1 16 17 25 o 44.2174 3.80519 10.138       2.45266  13.2147      2.59799  42.2781     106.178     2.43336     106.178     
1 1 1 16 17 26 o 28.4118 5.01819 3.86298      2.15982  6.6353       2.29711  21.3778     178.592     7.2282      358.592     
1 1 1 16 17 27 o 16.5257 4.76859 2.07044      2.01628  -0.629375    2.05081  6.91745     128.285     8.42134     308.285     
1 1 1 16 17 28 o 14.7019 4.66436 -0.017004    2.2026   -0.639347    2.18756  0.393148    356.391     21.3959     176.391     
1 1 1 16 17 29 o 47.8742 4.23033 11.7359      3.01787  16.9487      2.9381   48.7796     339.118     8.64697     339.118     
1 1 1 16 17 30 o 24.486  5.27679 2.52251      2.30901  5.70118      2.28856  19.9562     89.169      1.83707     269.169     
1 1 1 16 17 31 o 19.3408 5.22342 1.48453      2.26212  3.00961      2.16573  10.5161     161.987     6.22244     161.987     
1 1 1 16 17 32 o 16.5361 4.87754 -0.656579    2.23067  2.31243      2.15782  0.288162    147.355     28.0446     327.355     
1 1 1 16 17 33 o 18.0045 5.25743 2.24559      2.62289  1.27028      2.09633  11.7442     131.448     4.91572     311.448     
1 1 1 16 17 34 o 26.4642 5.45777 4.99089      2.35711  5.43285      2.36813  27.7965     6.2958      11.8975     6.2958      
1 1 1 16 17 35 o 26.661  5.5233  6.67543      2.47118  4.21988      2.48681  25.9074     352.471     6.27952     352.471     
1 1 1 16 17 36 o 19.8537 5.22481 4.10902      2.23998  1.35139      2.28319  14.5813     145.625     9.77229     145.625     
1 1 1 16 17 37 o 14.409  4.6511  -0.466635    2.45943  0.326944     2.16128  9.37673     31.1044     1.86687     211.104     
1 1 1 16 17 38 o 13.5278 4.42905 1.02093      2.17218  -4.22198     2.67652  7.04385     285.159     4.79403     105.159     
1 1 1 16 17 39 o 18.4366 5.27925 2.48931      2.31323  2.54457      2.34373  14.6342     280.328     1.08035     280.328     
1 1 1 16 17 40 o 13.5543 4.47048 -1.01836     2.29969  0.132288     2.30059  7.04247     21.1337     2.6419      201.134     
1 1 1 16 17 41 o 16.9894 5.18428 1.77483      2.64879  1.97365      2.31625  12.1488     72.3467     2.58929     72.3467     
1 1 1 16 17 42 o 12.445  4.24386 -0.79389     2.5377   -2.50659     2.29022  0.592324    312.132     0.732173    132.132     
1 1 1 16 17 43 o 13.6275 4.48616 1.45158      2.41345  -2.9257      2.3676   1.77932     327.404     1.77422     147.404     
1 1 1 16 17 44 o 27.8939 5.80731 6.51781      2.77114  8.25352      2.64705  27.301      249.301     8.54415     249.301     
1 1 1 16 17 45 o 15.7143 4.98621 0.639809     2.5959   2.53147      2.50406  9.71744     69.3979     2.97659     249.398     
1 1 1 16 17 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 18 0  o 68.7439 2.88858 26.3219      3.03283  26.3219      3.03283  68.7999     1.3326e-05  3.98375     1.3326e-05  
1 1 1 16 18 1  o 27.2694 5.29379 3.57917      2.3254   5.49365      2.32238  22.2515     41.7479     0.13665     221.748     
1 1 1 16 18 2  o 55.8828 3.25752 18.7788      2.77815  16.5774      2.76936  54.8036     15.9124     4.0322      15.9123     
1 1 1 16 18 3  o 29.3063 5.18464 4.02984      2.35947  6.49904      2.37783  25.9003     335.75      2.68532     335.75      
1 1 1 16 18 4  o 66.5435 3.03815 26.2637      3.01899  23.5586      3.15603  77.1287     131.786     28.0497     131.786     
1 1 1 16 18 5  o 63.1883 3.26903 20.205       2.90327  25.0842      3.4215   56.919      12.4781     6.51484     192.478     
1 1 1 16 18 6  o 20.2258 5.38375 2.67429      2.21822  1.04059      2.46213  9.18559     170.931     11.5118     350.931     
1 1 1 16 18 7  o 25.1634 5.52574 3.33877      2.49091  4.27857      2.28213  15.8238     314.177     10.2618     134.177     
1 1 1 16 18 8  o 25.5335 5.38347 5.76232      2.45283  1.98604      2.40543  15.9318     20.9482     11.2063     200.948     
1 1 1 16 18 9  o 28.2266 5.37929 6.34873      2.4796   3.49304      2.4255   14.0718     106.928     21.9445     286.928     
1 1 1 16 18 10 o 45.7135 3.8351  12.4276      2.55112  11.7325      2.72917  33.9382     282.78      17.8957     102.78      
1 1 1 16 18 11 o 25.3676 5.41294 4.24606      2.23985  3.61405      2.35877  21.9782     53.6847     5.45887     53.6847     
1 1 1 16 18 12 o 36.7841 4.34913 8.19453      2.39785  7.85524      2.3553   43.0035     7.7186      21.2958     7.7186      
1 1 1 16 18 13 o 36.0048 4.72541 9.44511      2.333    6.28634      2.63919  10.6862     131.294     45.9609     311.294     
1 1 1 16 18 14 o 38.7351 4.69566 10.4059      2.66479  7.74074      2.69688  36.0197     5.04938     0.613595    5.04943     
1 1 1 16 18 15 o 22.0877 5.96833 1.94151      3.10865  2.92815      2.61889  13.976      215.538     8.92611     35.5378     
1 1 1 16 18 16 o 39.7961 5.42698 6.54943      3.00292  13.7774      3.41083  29.4306     14.4894     15.537      194.489     
1 1 1 16 18 17 o 25.1546 5.73467 3.23927      2.65356  4.63561      2.47428  23.1084     268.769     3.82681     268.769     
1 1 1 16 18 18 o 37.1036 5.50326 5.20026      3.11932  12.835       3.09462  40.8163     146.786     14.6042     146.786     
1 1 1 16 18 19 o 40.5993 5.04844 11.8805      2.82739  8.73174      3.16272  35.7638     300.233     3.62277     120.233     
1 1 1 16 18 20 o 23.3866 5.69145 3.97797      2.50112  2.81041      2.50048  20.3459     186.898     8.61534     186.898     
1 1 1 16 18 21 o 29.0003 5.45686 3.36379      2.63215  7.66229      2.60559  28.6201     332.927     8.37004     332.927     
1 1 1 16 18 22 o 29.4941 5.69837 5.64056      2.66513  5.93816      2.6585   14.6042     2.42101     23.7967     182.421     
1 1 1 16 18 23 o 17.3258 5.16647 -0.583097    2.46577  1.79405      2.40251  8.42587     37.7962     4.15261     217.796     
1 1 1 16 18 24 o 21.0939 5.48353 4.62636      2.67107  -0.241466    2.53295  15.2148     174.728     0.980527    174.728     
1 1 1 16 18 25 o 56.5891 3.72879 20.6121      3.1968   17.6247      3.2055   58.6588     285.25      11.7114     285.25      
1 1 1 16 18 26 o 28.7435 6.32345 6.57088      3.13203  5.39762      3.08219  23.8789     199.449     1.74782     19.4492     
1 1 1 16 18 27 o 20.3761 5.82786 3.69932      2.95179  0.406518     2.96401  10.1011     2.91074     13.1118     182.911     
1 1 1 16 18 28 o 19.8818 4.98683 4.3248       2.1142   -0.917692    2.55509  13.3156     240.861     5.26893     60.8606     
1 1 1 16 18 29 o 36.8083 4.9989  6.85897      2.42685  11.7393      3.05723  36.7555     123.11      6.72583     123.11      
1 1 1 16 18 30 o 49.4476 3.98801 17.987       2.9818   12.943       2.90425  44.4403     222.073     3.235       42.0731     
1 1 1 16 18 31 o 16.0261 4.76379 2.08032      2.07798  -0.663711    2.13298  10.5448     222.622     0.39829     42.622      
1 1 1 16 18 32 o 25.3265 5.53769 4.8593       2.39177  4.74606      2.36521  21.2891     185.06      0.706485    5.06009     
1 1 1 16 18 33 o 15.1858 4.70765 1.45142      2.15682  -0.694327    2.17431  5.13711     227.446     1.06782     227.446     
1 1 1 16 18 34 o 17.673  5.3243  1.83376      2.30189  1.4448       2.8345   13.6195     62.5679     2.12225     62.5679     
1 1 1 16 18 35 o 15.1122 4.70692 -1.115       2.17166  1.84147      2.25587  10.2364     85.9335     2.30323     265.933     
1 1 1 16 18 36 o 19.7022 5.40259 1.70283      2.61862  3.91541      2.30852  9.68848     56.4598     14.3701     236.46      
1 1 1 16 18 37 o 17.9434 5.37357 1.10955      2.58693  3.08046      2.63225  13.4611     67.4588     0.374944    247.459     
1 1 1 16 18 38 o 13.6391 4.47023 -0.47122     2.24173  -0.115724    2.23019  6.3151      101.712     0.321196    101.712     
1 1 1 16 18 39 f 15.2315 4.78184 2.05001      2.33291  -0.593455    2.27911  14.8647     76.3682     0           0           
1 1 1 16 18 40 o 14.715  4.76039 1.01322      2.33931  -0.364935    2.56811  6.97993     103.589     3.86113     283.589     
1 1 1 16 18 41 o 17.8384 5.31652 2.62772      2.54766  2.21316      2.43913  9.48661     139.901     0.225383    139.901     
1 1 1 16 18 42 o 12.3186 4.18379 -1.8205      2.30541  -0.956578    2.31523  1.13698     73.4355     2.25329     253.436     
1 1 1 16 18 43 o 13.7288 4.53258 0.41245      2.33723  -0.0604548   2.39739  4.89238     5.81178     1.2233      185.812     
1 1 1 16 18 44 o 17.1255 5.22739 1.66659      2.62604  3.37044      2.5042   5.7842      135.3       3.50822     135.3       
1 1 1 16 18 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 19 0  o 28.7783 6.13928 5.80532      2.37186  5.80532      2.37186  33.3769     180         13.3388     180         
1 1 1 16 19 1  o 41.462  4.06035 11.0306      2.51938  9.09863      2.50456  40.8757     53.3723     5.87104     53.3722     
1 1 1 16 19 2  o 17.623  5.00768 -0.629416    2.20675  2.16926      2.18554  7.47372     112.304     5.84634     292.304     
1 1 1 16 19 3  o 73.8533 2.80606 27.0641      3.13922  34.3262      3.18893  75.2231     80.8829     10.0926     80.8829     
1 1 1 16 19 4  o 38.6487 4.28948 9.16342      2.49982  8.48616      2.43726  32.6059     263.947     5.65347     83.9471     
1 1 1 16 19 5  o 20.4321 5.21063 0.799005     2.22306  3.30899      2.18498  10.4517     126.909     11.131      306.909     
1 1 1 16 19 6  o 55.5927 3.45201 18.9081      3.09577  16.456       2.7577   60.8006     294.948     17.3886     294.948     
1 1 1 16 19 7  o 23.2933 5.66975 2.72983      2.47594  3.60363      2.47119  16.2362     43.4832     5.44715     223.483     
1 1 1 16 19 8  o 77.4473 2.9321  33.156       3.50982  34.4373      3.45591  94.2251     139.403     41.5255     139.403     
1 1 1 16 19 9  o 29.6055 5.21422 4.34346      2.29272  6.63139      2.48703  21.607      222.237     9.746       42.2368     
1 1 1 16 19 10 o 16.3764 4.98717 0.360429     2.05221  0.0781949    2.50946  7.32587     318.152     0.345979    138.153     
1 1 1 16 19 11 o 28.7837 5.82872 4.68207      2.28303  5.96796      3.15739  22.5028     205.047     6.2011      25.0467     
1 1 1 16 19 12 o 39.2944 5.11354 11.3914      3.25388  7.83447      2.71745  38.4859     64.8308     4.52401     64.8308     
1 1 1 16 19 13 o 35.0839 5.07897 7.89063      2.65612  7.42885      2.64689  30.8344     201.067     2.46468     21.0672     
1 1 1 16 19 14 o 20.6869 5.56746 2.02958      2.413    2.45064      2.49852  14.4536     213.823     6.90308     213.823     
1 1 1 16 19 15 o 32.0955 5.30461 5.63739      2.80377  7.48086      2.3857   24.6461     179.892     8.65055     359.892     
1 1 1 16 19 16 o 30.8458 5.28261 5.98703      2.75328  6.18099      2.22466  28.5112     113.967     2.82349     113.967     
1 1 1 16 19 17 o 24.0203 5.28069 3.08303      2.3225   4.18986      2.06557  20.2106     218.752     2.1172      218.752     
1 1 1 16 19 18 o 20.0616 5.28212 2.46107      2.20512  2.02312      2.16536  13.6286     346.678     0.166408    346.678     
1 1 1 16 19 19 o 13.9406 4.36736 -1.71828     1.87923  0.701907     1.96815  2.15673     341.43      12.4845     161.43      
1 1 1 16 19 20 o 77.3952 2.90767 34.4173      3.5389   34.0868      3.36513  79.4536     61.7359     13.1362     61.7359     
1 1 1 16 19 21 o 41.6468 4.14978 8.75746      2.64246  12.3815      2.38196  41.273      231.664     6.79655     231.664     
1 1 1 16 19 22 o 14.8283 4.46558 -0.880491    1.88637  1.21865      1.84007  0.490974    47.1383     20.7216     227.138     
1 1 1 16 19 23 o 33.811  4.51372 6.46815      2.32724  7.98735      2.18196  39.5305     100.113     21.5215     100.113     
1 1 1 16 19 24 o 28.3984 5.23542 7.31589      2.58463  3.76923      2.14206  21.575      256.932     6.4622      76.9322     
1 1 1 16 19 25 o 32.1878 5.12377 8.52312      2.56927  5.54174      2.4255   27.3663     347.572     2.52551     167.572     
1 1 1 16 19 26 o 18.2891 4.75854 -1.63516     2.22417  3.88429      2.08499  11.8588     124.146     4.74145     124.147     
1 1 1 16 19 27 f 13.0222 4.18076 -0.259504    1.86097  -0.623139    1.78297  12.2807     242.249     0           0           
1 1 1 16 19 28 o 17.3879 4.87339 2.58407      2.01418  0.42762      2.03083  13.6919     49.2211     3.13914     49.2211     
1 1 1 16 19 29 o 48.5729 4.14048 19.4521      3.30328  11.2133      2.70304  51.7942     302.772     14.2987     302.772     
1 1 1 16 19 30 o 22.5764 5.56522 2.85791      2.77646  4.47617      2.20875  15.1006     300.409     7.85691     120.409     
1 1 1 16 19 31 o 53.1689 4.17876 16.3132      3.25438  20.6419      3.44661  60.8983     276.576     24.4619     276.576     
1 1 1 16 19 32 o 16.4349 5.2     -0.620432    2.60041  1.84093      2.85856  11.1722     341.333     1.69118     341.333     
1 1 1 16 19 33 o 19.9573 5.48175 3.85172      2.28723  1.62227      2.87211  12.6307     179.491     8.51338     359.491     
1 1 1 16 19 34 o 13.4753 4.51442 -1.70356     2.15602  -0.321892    2.75398  6.62915     45.6729     1.12047     45.6729     
1 1 1 16 19 35 o 15.3718 4.80334 0.290013     2.17721  1.3417       2.30412  9.19674     237.687     2.96003     237.687     
1 1 1 16 19 36 o 15.657  4.99974 1.70733      2.61762  -0.505215    2.59036  6.65028     301.265     11.2294     121.265     
1 1 1 16 19 37 o 13.6771 4.51887 0.0281358    2.2123   -0.958315    2.54449  6.75553     342.821     0.412647    162.821     
1 1 1 16 19 38 o 16.7378 5.08332 1.74         2.35771  1.84579      2.35339  10.6097     271.329     2.94013     91.3286     
1 1 1 16 19 39 o 15.4523 4.82691 1.93756      2.28291  0.0366785    2.31663  5.86857     281.836     0.737347    101.836     
1 1 1 16 19 40 o 28.7972 5.52757 9.13685      2.63285  5.27742      2.62497  29.8221     245.153     15.9816     245.153     
1 1 1 16 19 41 o 15.4583 4.91465 1.32478      2.47669  1.1929       2.41624  6.10919     287.113     0.188114    107.113     
1 1 1 16 19 42 o 16.8589 5.18158 2.75113      2.57612  2.13293      2.43463  11.0038     55.9812     1.91782     235.981     
1 1 1 16 19 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 20 0  o 43.5616 4.00841 11.1547      2.56321  11.1547      2.56321  33.43       1.53651e-05 16.3656     180         
1 1 1 16 20 1  o 19.6679 5.14791 0.207568     2.2339   3.25503      2.19855  15.0489     355.296     5.68133     355.296     
1 1 1 16 20 2  o 19.7953 5.27686 1.44078      2.19714  2.47613      2.22267  11.361      211.649     6.09786     211.649     
1 1 1 16 20 3  o 28.9262 5.15442 4.30092      2.31636  6.19769      2.31734  19.2114     339.805     13.7437     159.805     
1 1 1 16 20 4  o 25.7976 5.49421 4.8042       2.44526  3.58135      2.30024  23.9985     259.179     4.33176     259.179     
1 1 1 16 20 5  o 52.6976 3.9165  14.4637      3.25486  18.1091      2.89358  59.2571     83.5096     20.2601     83.5095     
1 1 1 16 20 6  o 23.3546 5.73841 3.78592      2.49611  2.73142      2.5956   15.6049     340.196     8.58355     160.196     
1 1 1 16 20 7  o 19.8563 5.39864 0.311018     2.49528  3.07537      2.39374  1.19256     249.318     32.1146     69.3175     
1 1 1 16 20 8  o 23.8783 5.46703 1.68826      2.1955   5.3681       2.62728  20.7733     315.475     2.72931     315.475     
1 1 1 16 20 9  o 13.0912 4.30681 -0.968023    2.04685  -2.16675     2.19619  0.964332    319.358     15.5195     139.358     
1 1 1 16 20 10 o 28.1644 5.50848 6.08893      2.50758  4.16701      2.49384  11.8729     253.531     26.8091     73.5307     
1 1 1 16 20 11 o 35.1607 5.02509 8.15135      2.63609  7.37769      2.61801  25.8631     103.984     12.1144     283.984     
1 1 1 16 20 12 o 27.0308 5.38556 4.32123      2.47518  5.09826      2.23048  17.6657     276.679     11.7543     96.6788     
1 1 1 16 20 13 o 35.6826 4.39473 7.80051      2.3392   7.78204      2.31491  33.0598     81.1818     2.18767     81.1818     
1 1 1 16 20 14 o 50.5963 3.58916 12.4695      2.70049  17.79        2.73575  48.2897     11.4755     2.96481     11.4755     
1 1 1 16 20 15 o 34.2388 4.68769 6.71497      2.3713   7.95436      2.39048  33.5011     104.693     6.68154     104.693     
1 1 1 16 20 16 o 15.3852 4.68734 -0.178616    1.88424  0.768816     2.15007  0.0606819   266.177     23.3221     266.177     
1 1 1 16 20 17 o 21.3543 5.21509 4.25076      2.23972  0.886672     2.27293  14.8843     95.3301     2.1212      275.33      
1 1 1 16 20 18 o 31.967  5.00997 6.44353      2.42257  6.69119      2.38043  28.3118     91.999      0.869941    91.999      
1 1 1 16 20 19 o 15.5475 4.59648 0.409406     1.87759  0.940264     1.81736  7.71283     82.0664     40.9947     82.0664     
1 1 1 16 20 20 o 15.757  4.60042 0.0952521    1.89126  1.41639      1.80676  4.64883     135.081     0.806991    315.081     
1 1 1 16 20 21 o 40.8888 3.91763 10.1488      2.45601  10.292       2.34708  38.3129     85.2519     2.42342     85.2519     
1 1 1 16 20 22 o 48.7313 3.53659 13.4477      2.66056  15.1177      2.55066  42.0029     306.238     5.77202     126.238     
1 1 1 16 20 23 o 18.0393 5.22958 -0.209717    2.01937  3.25447      2.73611  11.7316     82.2457     1.36874     262.246     
1 1 1 16 20 24 o 23.9558 5.35107 4.70222      2.24902  3.38565      2.2116   17.9312     164.137     4.84197     344.137     
1 1 1 16 20 25 f 27.5608 4.96898 5.65511      2.12485  4.8454       2.11391  25.7485     150.77      0           0           
1 1 1 16 20 26 o 23.0474 5.05771 4.94236      2.08883  2.50339      2.03195  24.0054     85.0878     13.8603     85.0878     
1 1 1 16 20 27 o 15.3445 4.65901 -0.495032    2.19151  1.44969      1.92185  2.32568     12.8567     30.2474     12.8567     
1 1 1 16 20 28 o 15.3736 4.66941 -1.26163     2.24285  1.84072      2.02641  5.98254     307.274     0.991433    307.274     
1 1 1 16 20 29 o 15.9863 4.67581 2.4139       2.02833  -0.541763    1.96293  9.17045     292.062     1.32412     292.062     
1 1 1 16 20 30 o 33.3917 4.89462 6.96109      2.47495  8.85069      2.39321  40.132      305.868     22.5477     305.868     
1 1 1 16 20 31 o 17.0061 4.90569 0.366778     2.16767  2.67928      2.07907  9.5494      152.196     8.7466      332.196     
1 1 1 16 20 32 o 17.7975 5.07743 3.04866      2.2434   0.995165     2.15737  15.1086     184.274     4.94853     184.274     
1 1 1 16 20 33 f 16.8139 4.95259 0.158786     2.27023  2.79112      2.19495  13.929      228.367     0           0           
1 1 1 16 20 34 o 16.1419 4.88997 0.605039     2.24605  2.02078      2.1639   11.1646     315.28      1.85195     315.28      
1 1 1 16 20 35 o 19.2703 5.68095 3.25979      3.3797   2.9187       2.33052  11.7465     263.345     7.15853     263.345     
1 1 1 16 20 36 o 24.2695 6.38733 4.71025      2.88491  7.55166      3.50905  20.6349     299.728     1.48744     299.728     
1 1 1 16 20 37 o 24.3744 6.14522 5.97453      2.89589  5.73454      2.92429  21.9173     141.261     6.72559     141.261     
1 1 1 16 20 38 o 13.06   4.35096 0.604092     2.1872   -3.43879     2.65425  1.09088     55.3147     11.6973     235.315     
1 1 1 16 20 39 o 16.5089 5.09823 1.17151      2.42759  2.39673      2.49802  7.96637     91.8066     0.979964    271.807     
1 1 1 16 20 40 o 15.549  5.01603 -0.92237     2.4485   3.47006      2.93796  5.82231     330.172     1.29193     330.172     
1 1 1 16 20 41 o 15.9762 5.08587 2.69996      2.4929   0.353682     3.02722  10.5212     257.613     1.88399     77.6135     
1 1 1 16 20 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 21 0  o 11.6894 5.2812  0.383824     2.12034  0.383824     2.12034  0.36385     180         2.28395     0.000185557 
1 1 1 16 21 1  o 98.5734 2.47025 57.7344      3.76037  51.5438      3.71969  105.813     216.52      26.3063     216.52      
1 1 1 16 21 2  o 42.7152 4.02894 13.0276      2.56144  8.91451      2.51967  44.0944     81.5212     10.6987     81.5212     
1 1 1 16 21 3  o 34.8379 4.66773 7.84954      2.39223  7.18196      2.43019  35.2382     174.616     9.14534     174.616     
1 1 1 16 21 4  o 31.3409 5.26395 5.41873      2.67402  7.20111      2.37167  30.852      143.002     8.05307     143.002     
1 1 1 16 21 5  o 64.9584 3.31779 25.2943      3.32673  23.5261      3.26445  65.9701     321.192     11.0593     321.192     
1 1 1 16 21 6  o 52.8374 3.80582 17.2217      3.04835  15.7835      3.052    48.6791     80.1404     0.224538    260.141     
1 1 1 16 21 7  o 24.4465 5.5484  3.6494       2.20318  4.07665      2.53161  4.85517     310.25      32.9916     130.25      
1 1 1 16 21 8  o 23.4613 5.33434 4.68972      2.21423  2.09105      2.39469  14.3562     280.395     10.0625     100.395     
1 1 1 16 21 9  o 33.5566 5.09271 6.23229      2.55775  8.20712      2.55653  30.9622     359.319     3.18024     359.319     
1 1 1 16 21 10 o 26.7674 5.51998 5.82424      2.46715  3.58868      2.46786  20.1029     195.161     4.85393     15.1611     
1 1 1 16 21 11 o 32.0689 4.7631  6.49951      2.28257  6.46252      2.27183  29.1444     23.0676     2.56267     23.0675     
1 1 1 16 21 12 o 32.3397 4.99713 7.53276      2.56038  5.87879      2.28536  31.569      88.6617     7.60312     88.6617     
1 1 1 16 21 13 o 22.4135 5.34688 1.98568      2.08486  4.34478      2.39491  10.0158     196.427     17.1502     16.4271     
1 1 1 16 21 14 o 25.8313 4.76467 1.44655      2.19525  6.98357      2.16792  24.6961     55.6818     11.7959     55.6818     
1 1 1 16 21 15 o 17.4593 4.93904 1.06859      2.00712  1.64672      2.02714  7.8853      301.022     0.350711    121.022     
1 1 1 16 21 16 o 28.7413 5.26657 4.37241      2.47579  6.65873      2.31861  10.6017     209.439     29.7596     29.4391     
1 1 1 16 21 17 o 18.2004 5.04693 2.60545      2.15983  0.58723      2.08648  10.1054     359.945     1.23925     359.945     
1 1 1 16 21 18 o 27.6417 5.06926 5.9244       2.13312  4.32763      2.27224  11.9498     347.176     24.8804     167.176     
1 1 1 16 21 19 o 18.4193 4.33351 -1.38641     1.84853  4.11365      1.82906  12.2936     270.432     3.38449     270.432     
1 1 1 16 21 20 o 17.8193 4.36471 -1.23751     1.81926  3.75876      1.80774  7.6136      38.362      13.37       218.362     
1 1 1 16 21 21 o 26.2451 5.38776 5.35731      2.43376  4.44047      2.17997  14.698      148.283     16.6001     328.283     
1 1 1 16 21 22 o 19.7836 5.01413 1.31931      2.04476  3.62355      2.02549  16.7329     5.7606      3.51172     5.7606      
1 1 1 16 21 23 o 15.1437 4.39943 2.18014      1.76386  -2.05953     2.08069  5.62311     343.467     2.09467     343.467     
1 1 1 16 21 24 o 23.2092 5.04565 5.15631      1.97734  2.17207      2.36204  16.78       200.553     5.77719     20.5529     
1 1 1 16 21 25 o 18.7004 4.96428 0.794137     1.91794  3.52886      2.14147  14.3032     79.6966     2.94348     79.6966     
1 1 1 16 21 26 o 29.7435 4.8891  7.37443      2.23997  5.11053      2.18839  25.9543     123.874     0.362528    123.875     
1 1 1 16 21 27 o 15.1925 4.50804 -0.416078    1.91004  1.85398      1.83467  8.32491     297.652     4.11272     117.652     
1 1 1 16 21 28 o 19.7434 5.09197 3.12087      2.03945  2.51798      1.99177  11.8549     138.137     9.1812      318.137     
1 1 1 16 21 29 o 22.3522 5.04885 2.01684      2.16926  5.39377      2.10771  13.9545     341.096     10.6911     161.096     
1 1 1 16 21 30 o 12.4502 4.07775 -0.826338    1.88337  -0.335034    1.8335   3.26546     274.209     0.362481    274.209     
1 1 1 16 21 31 o 12.5653 4.12211 -1.06321     1.92559  -0.11309     1.90732  5.35878     324.052     1.76543     144.052     
1 1 1 16 21 32 o 22.7586 5.46233 5.12769      2.34373  3.50696      2.29083  15.4569     211.645     7.36625     31.6454     
1 1 1 16 21 33 o 15.089  4.74606 0.614026     2.17877  1.04237      2.25628  8.66825     183.218     3.57978     3.21771     
1 1 1 16 21 34 o 16.9028 5.09299 1.9004       2.52646  1.86137      2.14776  10.3465     335.503     4.44075     335.503     
1 1 1 16 21 35 o 17.1768 5.22718 3.1706       2.54306  0.471371     2.65163  9.91544     333.583     2.81978     153.583     
1 1 1 16 21 36 o 18.7157 5.29842 0.835809     2.71053  4.23097      2.36631  10.6488     284.89      0.452216    284.89      
1 1 1 16 21 37 o 16.0839 5.13797 0.840868     2.66466  1.8055       2.76329  6.18532     37.6908     8.56519     217.691     
1 1 1 16 21 38 o 14.082  4.68571 -0.476136    2.33709  0.897316     2.83494  3.25237     290.06      0.349676    110.06      
1 1 1 16 21 39 f 14.4315 4.78023 -0.547813    2.44216  1.70668      2.85251  10.3736     172.985     0           0           
1 1 1 16 21 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 22 0  o 12.5517 5.50138 0.869687     2.11734  0.869687     2.11734  0.307335    180         1.18347     360         
1 1 1 16 22 1  o 18.04   4.95592 -0.627948    2.14761  2.94821      2.16683  3.54935     338.437     0.790764    338.437     
1 1 1 16 22 2  o 25.1136 5.32883 5.0201       2.27749  3.17737      2.25126  14.9251     19.6616     12.28       199.662     
1 1 1 16 22 3  o 16.3441 4.85747 1.41988      2.10516  -0.245277    2.12704  5.93254     216.591     2.75883     36.5911     
1 1 1 16 22 4  o 57.099  3.47913 23.6932      3.21498  14.9651      2.79399  59.012      350.235     13.5352     350.235     
1 1 1 16 22 5  o 21.3047 5.7227  2.95419      2.54095  2.21613      2.66528  12.2689     0.780828    8.1323      180.781     
1 1 1 16 22 6  o 56.6991 3.46011 16.0404      2.82237  21.8538      3.14365  55.8178     351.795     7.83158     351.795     
1 1 1 16 22 7  o 17.6955 5.09881 0.703053     2.19473  1.75741      2.21555  8.22765     50.9003     6.21635     230.9       
1 1 1 16 22 8  o 24.3932 5.43876 2.7662       2.31645  5.02596      2.37248  16.0436     336.298     7.86418     156.298     
1 1 1 16 22 9  o 13.2004 4.29742 -1.2097      2.09203  -0.804378    1.94399  1.05416     264.657     2.28711     84.6566     
1 1 1 16 22 10 f 40.8372 3.98089 8.76386      2.41626  11.5895      2.4032   26.7123     162.188     0           0           
1 1 1 16 22 11 o 13.2253 4.25182 -1.67142     1.91705  0.0720674    1.93307  1.01542     242.772     13.6385     62.7718     
1 1 1 16 22 12 f 26.104  5.2562  6.64459      2.53616  2.70568      2.08382  22.4401     253.622     0           0           
1 1 1 16 22 13 o 17.1384 4.73857 2.57708      1.92112  -0.277628    1.99611  9.16661     117.745     2.42505     297.745     
1 1 1 16 22 14 o 17.6592 4.78075 2.97357      1.99444  -0.190339    1.95641  10.0595     228.393     0.915521    228.393     
1 1 1 16 22 15 o 28.4811 4.84356 5.18698      2.11626  5.6195       2.08253  23.7628     38.2489     1.3619      218.249     
1 1 1 16 22 16 o 22.3389 5.27859 3.27043      2.14908  3.55852      2.12029  16.4572     102.662     3.25235     282.662     
1 1 1 16 22 17 o 24.0817 5.17727 4.75884      2.12773  3.30851      2.10653  13.9667     172.121     13.3423     352.121     
1 1 1 16 22 18 o 41.071  3.9848  12.2141      2.27682  9.03464      2.50463  52.4416     131.216     32.5129     131.216     
1 1 1 16 22 19 o 11.463  3.7496  -0.772069    1.56642  -0.832437    1.55505  1.01135     174.232     13.8981     354.232     
1 1 1 16 22 20 o 12.5105 3.91913 -1.82545     1.62429  0.84949      1.57437  4.57225     331.126     2.69546     151.126     
1 1 1 16 22 21 o 18.2913 4.24729 -0.56158     1.70263  3.97584      1.69777  13.1894     307.375     1.626       127.375     
1 1 1 16 22 22 o 17.0049 4.56419 1.9893       1.65715  1.45837      1.64899  9.30194     194.728     6.99727     14.7282     
1 1 1 16 22 23 o 12.991  4.03223 0.757111     1.52238  -0.809142    1.68552  3.28432     176.653     2.17353     356.653     
1 1 1 16 22 24 o 13.5221 4.12281 1.078        1.62175  -0.434724    1.57492  3.48959     223.275     12.3981     43.2745     
1 1 1 16 22 25 o 13.589  4.19358 -0.368057    1.82327  0.84804      1.57166  5.6858      179.697     7.77992     359.697     
1 1 1 16 22 26 o 28.5709 5.85125 6.40422      2.55879  6.88287      2.89057  29.8411     143.229     11.2263     143.229     
1 1 1 16 22 27 o 16.7557 5.02596 1.18637      1.91023  1.98175      2.57678  11.4492     240.087     5.67676     240.087     
1 1 1 16 22 28 o 19.5581 4.81841 4.10377      1.87692  1.2009       2.04113  17.3596     284.436     4.92138     284.436     
1 1 1 16 22 29 o 31.8955 5.94945 9.43795      3.21066  7.78944      2.7192   26.5002     152.022     2.4613      332.022     
1 1 1 16 22 30 o 18.1859 6.16072 -0.708626    1.7837   9.40055      6.11243  12.1134     31.3994     2.46519     211.399     
1 1 1 16 22 31 o 15.8695 5.05609 2.51697      2.94459  -0.290386    2.21194  8.82575     161.406     5.45875     341.406     
1 1 1 16 22 32 o 20.7842 5.19407 5.2502       2.17199  1.26911      2.67128  14.9264     223.801     3.38578     43.8013     
1 1 1 16 22 33 o 17.2168 5.4883  2.36189      2.11568  -2.16512     6.03172  9.53777     338.087     1.1403      158.087     
1 1 1 16 22 34 o 15.4749 5.28709 -2.28392     4.93614  0.0475755    3.01901  3.67527     255.965     1.95416     75.965      
1 1 1 16 22 35 o 17.0117 5.31726 2.43786      2.20591  0.661145     3.84301  7.8757      190.887     0.514658    10.887      
1 1 1 16 22 36 o 13.1071 4.40571 0.110102     2.11003  -1.66139     2.88678  3.21226     202.159     2.04214     22.1587     
1 1 1 16 22 37 o 13.5898 4.54454 0.420758     2.17389  -0.840496    2.98145  5.75973     205.375     6.33099     25.3753     
1 1 1 16 22 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 23 0  o 18.6136 6.44024 3.16356      2.18436  3.16356      2.18436  12.9807     2.92156e-05 3.11052     2.92156e-05 
1 1 1 16 23 1  o 41.4797 3.99299 11.2165      2.49258  9.89436      2.46723  34.721      236.107     4.87848     56.1067     
1 1 1 16 23 2  o 25.0882 5.27113 5.3852       2.23979  3.08347      2.26388  9.60875     148.432     23.8113     328.432     
1 1 1 16 23 3  o 15.7713 4.84941 -0.574743    2.44164  0.98373      2.05911  5.48451     66.9385     9.63532     246.939     
1 1 1 16 23 4  o 39.5103 4.94302 11.711       2.87805  8.68713      2.88061  41.2306     56.8173     13.1569     56.8173     
1 1 1 16 23 5  o 19.9978 5.39251 1.43855      2.16082  3.31237      2.50228  12.9447     93.7294     3.17354     273.729     
1 1 1 16 23 6  o 33.4851 5.00662 8.09309      2.5048   6.76652      2.49936  29.1001     73.8567     0.0971377   253.857     
1 1 1 16 23 7  o 34.4258 5.12214 7.17155      2.69066  8.68936      2.56841  23.5041     49.8694     13.875      229.869     
1 1 1 16 23 8  o 12.0613 4.02301 -2.6222      2.0907   -0.857887    1.87262  1.47403     152.948     5.05873     332.948     
1 1 1 16 23 9  o 18.8067 4.8559  -0.672935    2.25024  3.74727      2.02962  6.32603     85.5702     3.10971     85.5702     
1 1 1 16 23 10 o 14.6071 4.50906 0.0270114    1.90694  0.492211     1.92895  5.88876     16.8119     4.65113     196.812     
1 1 1 16 23 11 o 27.0683 5.22936 5.03718      2.36571  5.14373      2.12509  28.127      136.395     12.9991     136.395     
1 1 1 16 23 12 f 29.5623 5.06401 5.67641      2.15928  6.32004      2.40295  39.8235     65.3989     0           0           
1 1 1 16 23 13 o 29.2102 4.7877  4.20594      2.15129  7.44798      2.15522  20.8764     160.457     9.40125     340.457     
1 1 1 16 23 14 o 12.5507 4.00639 0.0391       1.66995  -0.766941    1.6353   3.64183     102.036     9.21507     282.036     
1 1 1 16 23 15 o 11.5504 3.74083 -1.38489     1.55756  -0.064063    1.49688  3.0314      207.521     2.48739     27.5206     
1 1 1 16 23 16 o 21.5542 4.77701 1.81435      1.9328   4.40048      1.8397   11.2845     351.071     13.9029     171.071     
1 1 1 16 23 17 o 29.291  5.25715 6.95049      2.05959  5.28599      2.84722  21.1341     277.495     8.69091     97.4953     
1 1 1 16 23 18 o 31.2267 7.55183 11.9211      5.13438  7.03202      3.59591  27.1985     338.472     1.63852     338.472     
1 1 1 16 23 19 o 22.5092 4.35139 4.36278      1.64554  2.54352      1.52097  16.7028     3.72924     3.43582     183.729     
1 1 1 16 23 20 o 32.3863 5.77856 7.87422      3.09309  8.20614      2.69162  21.5792     350.067     13.4935     170.067     
1 1 1 16 23 21 o 18.634  5.63345 0.558603     2.91259  3.14162      2.95256  13.6725     148.94      4.70097     148.94      
1 1 1 16 23 22 o 17.6882 5.46187 -0.253609    2.87202  2.86122      2.91865  12.6439     307.153     0.423661    127.152     
1 1 1 16 23 23 o 17.4744 5.41503 0.611086     2.889    2.19501      2.75432  13.9543     10.2631     3.45116     10.2631     
1 1 1 16 23 24 o 27.1822 5.91627 10.0411      3.21064  2.62336      3.07391  16.7643     256.728     13.5894     76.7278     
1 1 1 16 23 25 o 12.5153 4.31088 -3.29728     2.58667  -2.03519     2.74729  3.30139     198.049     0.018875    18.0486     
1 1 1 16 23 26 o 14.0826 4.6751  -3.98555     2.71144  1.21438      2.68517  5.4072      62.0027     0.963057    62.0027     
1 1 1 16 23 27 o 17.2121 5.39989 1.76525      2.84175  1.46226      2.86402  11.8699     274.478     3.68776     274.478     
1 1 1 16 23 28 o 37.3116 6.03267 12.6823      3.39611  11.0467      3.39559  40.6535     100.732     17.2152     100.732     
1 1 1 16 23 29 o 17.5171 5.46606 2.3667       2.84458  1.68237      2.94084  10.1132     285.288     6.4048      105.288     
1 1 1 16 23 30 o 17.0184 5.39069 -2.81865     3.73873  3.62886      2.92128  10.1961     263.828     0.857462    263.828     
1 1 1 16 23 31 o 15.4563 5.10802 -0.890457    2.96506  1.35885      3.09234  5.27937     2.21017     8.76838     182.21      
1 1 1 16 23 32 o 27.5352 5.63626 1.32742      3.16496  12.6202      3.37002  26.281      356.542     13.4942     356.542     
1 1 1 16 23 33 o 21.1013 6.3027  4.81108      3.99848  5.20169      3.20326  12.2596     349.101     7.12277     169.101     
1 1 1 16 23 34 o 17.7255 5.70778 2.64872      3.06426  3.49855      3.80687  8.79849     277.114     2.99412     277.114     
1 1 1 16 23 35 o 14.5153 4.86225 1.05332      2.83775  -0.480482    3.01224  7.01101     322.051     0.902057    322.051     
1 1 1 16 23 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 24 0  o 21.8829 6.57346 4.21309      2.24718  4.21309      2.24718  21.797      180         14.1194     180         
1 1 1 16 24 1  o 28.359  5.30557 4.68916      2.28732  6.70334      2.45779  20.6813     218.5       7.48047     38.4997     
1 1 1 16 24 2  o 27.4117 5.4052  6.06248      2.4499   4.67654      2.30504  19.0764     46.8899     8.90676     226.89      
1 1 1 16 24 3  o 38.5968 4.98842 10.0264      3.16038  10.0468      2.50628  36.319      205.27      4.47048     205.27      
1 1 1 16 24 4  o 18.7772 5.21742 3.00755      2.14551  0.59638      2.54942  8.35486     67.0003     13.6204     247         
1 1 1 16 24 5  o 30.7597 5.33    6.72788      2.39545  6.62862      2.61769  25.5889     193.353     2.148       13.3529     
1 1 1 16 24 6  o 24.756  5.49881 4.81862      2.34339  4.08736      2.34138  19.0778     341.758     3.35151     161.758     
1 1 1 16 24 7  o 24.7564 5.35407 3.92843      2.32986  4.86431      2.17538  20.2122     193.468     1.02491     13.4683     
1 1 1 16 24 8  o 14.8745 4.55164 0.0211008    1.95058  0.91091      1.91062  8.27915     357.59      3.06998     177.59      
1 1 1 16 24 9  o 17.8356 4.80956 0.0506591    2.05034  3.13181      1.95819  8.485       28.6947     11.615      208.695     
1 1 1 16 24 10 o 33.1408 4.75935 6.40441      2.45893  8.4609       2.21861  36.0967     288.677     15.3991     288.677     
1 1 1 16 24 11 o 28.2744 4.7157  3.58721      2.06449  7.51588      2.11941  26.0863     200.563     4.21341     200.563     
1 1 1 16 24 12 o 34.7472 4.54448 7.11885      2.40918  8.98475      2.24411  33.8334     289.644     7.23254     289.644     
1 1 1 16 24 13 o 33.1667 5.03608 6.31044      2.48757  9.14514      2.52274  30.0926     252.612     2.86499     252.612     
1 1 1 16 24 14 o 18.4579 4.4919  3.36014      1.68366  0.924231     1.62913  9.81459     214.496     9.14462     34.4955     
1 1 1 16 24 15 o 12.5546 4.01779 -0.171394    1.97833  -0.195129    1.31705  2.27085     56.7757     10.6175     236.776     
1 1 1 16 24 16 o 11.082  3.60528 -0.149074    1.52234  -1.00636     1.29605  1.73495     151.935     18.3933     151.935     
1 1 1 16 24 17 o 17.9627 5.76761 1.93076      2.79225  -1.47357     4.78806  10.4426     97.5043     6.01629     277.504     
1 1 1 16 24 18 o 19.2302 5.64443 4.14888      2.91847  0.283477     2.87067  15.7933     249.62      5.34049     249.62      
1 1 1 16 24 19 o 13.0374 4.44459 -2.94555     2.5786   -1.42293     2.73389  6.18883     358.169     0.320028    178.169     
1 1 1 16 24 20 o 31.8494 6.51817 6.97667      3.35615  11.2603      3.58314  27.1698     223.814     0.571574    43.8142     
1 1 1 16 24 21 o 42.3309 5.82884 10.4667      3.5924   18.2948      3.70958  41.0251     358.998     7.5628      358.998     
1 1 1 16 24 22 o 25.7338 6.0345  8.41563      3.06582  3.3427       3.02215  20.7771     26.133      1.33846     206.133     
1 1 1 16 24 23 o 32.1055 5.96218 12.7189      3.28267  5.52572      3.27871  31.2726     358.662     8.08141     358.662     
1 1 1 16 24 24 o 18.5141 5.7186  2.23749      3.18356  2.61125      2.99885  13.8643     169.66      2.00355     169.66      
1 1 1 16 24 25 f 29.1889 6.31349 10.8483      3.24248  5.57434      3.76449  21.6215     258.679     0           0           
1 1 1 16 24 26 o 37.9261 6.03089 11.918       3.40106  12.7967      3.4734   32.5032     164.082     0.784254    344.082     
1 1 1 16 24 27 o 18.5327 5.67176 1.73186      2.95265  3.68406      3.05363  10.1602     134.493     7.67868     314.493     
1 1 1 16 24 28 f 13.9403 4.69391 -0.903174    2.78028  -0.741359    2.76604  3.67225     264.051     0           0           
1 1 1 16 24 29 o 17.4711 5.35001 4.51713      2.93196  -1.70712     2.9367   7.85061     214.419     1.65684     34.4185     
1 1 1 16 24 30 f 18.0625 5.66392 3.4307       3.13652  1.65082      3.19599  1.18381     12.4901     0           0           
1 1 1 16 24 31 o 13.5481 4.62706 0.00441358   2.91042  -2.61194     2.97405  2.71619     264.553     1.8569      84.5532     
1 1 1 16 24 32 f 16.3404 5.44539 3.94099      3.96851  0.0110142    2.96976  7.14712     157.138     0           0           
1 1 1 16 24 33 o 15.3132 5.22791 2.41437      3.79144  -2.07152     3.67544  8.73932     268.08      3.39943     88.0803     
1 1 1 16 24 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 25 0  o 7.85372 3.91382 -1.80244     1.87367  -1.80244     1.87367  1.02155     360         4.51071     360         
1 1 1 16 25 1  f 32.819  4.91251 7.78266      2.39579  7.08988      2.4152   33.7394     272.348     0           0           
1 1 1 16 25 2  o 16.6307 5.04385 2.09274      2.52155  -0.0318299   2.14676  9.31826     211.169     1.09248     211.169     
1 1 1 16 25 3  o 37.6615 6.15193 12.0153      3.70734  9.84692      3.2912   38.046      152.752     11.489      152.752     
1 1 1 16 25 4  o 18.1678 5.02217 1.03692      2.0733   2.85481      2.10652  9.44666     117.733     8.72537     297.733     
1 1 1 16 25 5  o 21.9194 5.14144 1.33581      2.22513  5.27433      2.24752  16.3251     109.495     1.74068     289.495     
1 1 1 16 25 6  o 15.115  4.56125 -1.26458     2.07859  1.87931      1.9598   5.34598     19.1813     10.3059     199.181     
1 1 1 16 25 7  o 14.8501 4.58164 1.04638      1.95462  -0.18245     2.05119  6.28095     36.0154     4.85275     216.015     
1 1 1 16 25 8  o 13.6074 4.31217 0.413903     1.87326  -0.542262    1.88595  4.20288     61.7334     2.31512     241.733     
1 1 1 16 25 9  o 17.4891 4.71227 0.317419     1.91137  3.0591       1.88298  10.9576     191.315     2.64265     11.3146     
1 1 1 16 25 10 o 15.8154 4.56607 -0.366165    2.0074   2.19155      1.78624  7.09746     158.068     1.86335     158.068     
1 1 1 16 25 11 o 23.8669 4.96651 3.76219      1.92127  4.52822      1.98381  24.1136     325.566     12.8623     325.566     
1 1 1 16 25 12 o 32.1229 5.0653  7.8818       2.07219  7.00926      2.82387  26.8462     160.52      1.71817     340.52      
1 1 1 16 25 13 o 12.691  3.88451 0.715984     1.45072  -0.112093    1.36121  2.3656      260.015     13.931      80.015      
1 1 1 16 25 14 o 19.3309 5.27601 1.65525      3.30317  3.00345      1.7203   16.8501     44.7249     8.87965     44.7249     
1 1 1 16 25 15 o 26.186  6.96361 6.45608      4.11128  7.38752      3.63159  17.0002     239.934     10.1144     59.9338     
1 1 1 16 25 16 o 15.2791 5.1429  -3.36317     2.64125  1.81382      3.71512  9.69646     323.316     0.847432    323.316     
1 1 1 16 25 17 o 16.1743 5.11922 2.60531      2.74553  -2.21665     2.87709  8.3879      97.9132     7.67262     277.913     
1 1 1 16 25 18 o 22.4    6.14311 3.09858      3.10836  5.91044      3.12523  17.8263     347.653     0.181466    347.653     
1 1 1 16 25 19 o 14.2703 4.77131 -2.24525     2.74485  0.335539     2.8334   6.50721     214.016     0.387375    214.016     
1 1 1 16 25 20 o 17.133  5.39907 2.21299      2.89849  0.741802     2.90806  10.2848     26.6664     4.35785     206.666     
1 1 1 16 25 21 o 32.0691 6.26048 10.4104      3.22854  8.12607      3.227    34.4414     12.2009     16.1394     12.2009     
1 1 1 16 25 22 o 18.5235 5.64362 3.67945      2.9831   1.52644      2.94305  13.273      55.7232     5.7361      55.7232     
1 1 1 16 25 23 o 14.171  4.7524  -1.28626     2.76525  -0.12658     2.814    5.68605     282.604     0.533225    282.604     
1 1 1 16 25 24 o 14.6803 4.87826 -1.00795     2.82936  0.544346     2.82555  5.2783      285.855     0.476683    105.855     
1 1 1 16 25 25 o 19.7694 5.75679 5.44924      2.9868   0.94493      3.12827  9.47533     286.526     10.7248     106.526     
1 1 1 16 25 26 o 12.992  4.45427 -2.3792      2.69933  -1.39369     2.82989  1.4029      286.083     5.43437     106.083     
1 1 1 16 25 27 o 19.8379 5.90997 3.52454      3.05646  4.06539      3.10508  11.9349     250.731     0.284755    70.7309     
1 1 1 16 25 28 o 16.1586 5.23621 1.70653      2.94166  1.11996      2.95362  7.23243     45.6507     3.44405     225.651     
1 1 1 16 25 29 o 15.8752 5.15879 3.10238      2.91047  -0.814302    3.12414  7.89333     357.478     4.08717     177.478     
1 1 1 16 25 30 o 14.0936 4.7881  -0.084371    3.01989  -0.432532    3.03708  6.71293     297.529     3.77123     117.529     
1 1 1 16 25 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 26 0  o 9.7592  4.62946 -0.251302    1.95393  -0.251302    1.95393  0.238775    359.999     0.453203    179.999     
1 1 1 16 26 1  o 14.3499 4.4994  0.930686     1.99617  -0.349956    2.00221  2.63528     229.136     16.8617     49.1364     
1 1 1 16 26 2  o 23.0927 5.95739 5.97524      2.83249  2.70304      3.00781  19.0035     143.476     1.11846     143.475     
1 1 1 16 26 3  o 19.4352 5.42646 3.24687      2.13449  1.80113      2.93194  14.1871     211.916     1.62091     31.9156     
1 1 1 16 26 4  o 17.2144 4.97297 2.4095       2.10734  1.01869      2.13807  13.1553     53.5361     4.13307     53.5361     
1 1 1 16 26 5  o 16.2395 4.81215 2.35572      2.16124  0.111788     1.99877  0.94784     301.861     24.6625     121.861     
1 1 1 16 26 6  o 17.3284 4.84669 0.494922     2.03201  2.96307      2.01022  11.8921     18.5517     2.68874     198.552     
1 1 1 16 26 7  o 19.8275 4.93576 1.26385      2.01196  4.24042      2.02338  17.8667     315.325     5.90352     315.325     
1 1 1 16 26 8  o 17.5782 4.84471 2.87615      1.93181  0.993997     1.99518  12.6027     22.5483     1.4258      202.548     
1 1 1 16 26 9  o 14.8806 4.51908 0.738257     1.9163   0.980737     1.81209  7.93877     113.832     5.77822     293.832     
1 1 1 16 26 10 o 15.5583 4.57346 1.77141      1.98445  0.793779     1.62478  8.02412     348.584     7.30535     168.584     
1 1 1 16 26 11 o 13.7698 3.93513 -1.23944     1.53429  1.98036      1.43806  7.49113     34.2193     2.79892     214.219     
1 1 1 16 26 12 o 14.3803 6.91405 -2.00264     0.408734 -1.65665     3.16962  4.75214     316.268     1.85714     136.268     
1 1 1 16 26 13 o 13.4209 4.54824 -0.0237422   2.73444  -4.00232     2.76423  6.05111     329.736     2.33674     149.736     
1 1 1 16 26 14 o 32.1306 6.82941 9.46364      4.70732  11.2387      3.29875  23.1158     339.317     8.20939     159.317     
1 1 1 16 26 15 o 15.8268 5.40529 1.49819      4.12819  -4.69354     3.84225  6.06324     129.848     11.26       309.848     
1 1 1 16 26 16 o 18.3199 5.81213 2.32848      2.91439  2.00082      4.02045  13.1532     51.9225     1.81836     51.9224     
1 1 1 16 26 17 o 18.0458 5.60062 2.63295      3.05165  1.90882      2.92969  11.3629     131.875     3.70637     311.875     
1 1 1 16 26 18 o 13.454  4.56919 -2.53034     2.72825  -0.454504    2.79119  5.24815     157.797     0.826869    337.797     
1 1 1 16 26 19 o 24.4702 6.38196 5.82735      3.14222  6.44526      3.20698  15.2506     105.486     9.42955     285.486     
1 1 1 16 26 20 o 18.8993 5.66642 4.42019      2.93351  1.14877      3.04095  13.0374     132.379     3.24732     132.379     
1 1 1 16 26 21 o 24.0334 6.32866 4.95419      3.189    7.00655      3.18102  15.8632     15.9021     5.69653     195.902     
1 1 1 16 26 22 o 23.5321 6.1688  3.44661      3.12189  7.61527      3.17571  16.2577     147.795     2.40558     327.795     
1 1 1 16 26 23 o 24.5136 6.44813 6.93067      3.28207  5.94822      3.23671  19.0912     342.659     6.11123     342.659     
1 1 1 16 26 24 o 17.1248 5.42617 2.17669      2.90531  1.77938      3.01318  4.99326     102.151     0.439445    102.151     
1 1 1 16 26 25 o 16.2284 5.20423 -0.815906    2.86285  3.42197      2.96557  4.38908     197.66      0.56129     197.66      
1 1 1 16 26 26 o 17.989  5.63671 2.46818      3.13252  3.98086      3.10774  9.41608     184.224     6.98969     4.22364     
1 1 1 16 26 27 o 16.0101 5.20088 3.7586       3.06077  -1.15687     3.0656   9.25916     224.298     2.78113     44.2976     
1 1 1 16 26 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 26 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 27 0  o 26.6539 6.34421 5.85424      2.32601  5.85424      2.32601  34.0719     1.36145e-05 22.1774     1.36145e-05 
1 1 1 16 27 1  o 19.4037 5.52999 3.66006      2.81898  2.34029      2.2535   12.7865     219.548     4.00192     39.5478     
1 1 1 16 27 2  o 15.2599 4.81962 0.558312     2.06063  0.930585     2.54941  8.35161     310.755     3.48884     130.755     
1 1 1 16 27 3  o 16.2566 4.88423 1.08469      2.17481  1.79068      2.11217  5.13015     173.394     14.7764     353.394     
1 1 1 16 27 4  o 14.2754 4.51861 0.343196     2.15384  0.477671     1.93683  5.18571     289.326     0.907545    289.326     
1 1 1 16 27 5  o 19.2012 5.10742 2.44416      2.07699  3.18414      2.04999  15.4576     108.83      4.77691     108.83      
1 1 1 16 27 6  o 20.6357 5.05751 1.36588      2.12017  5.08199      2.18459  14.0487     39.6972     4.28346     219.697     
1 1 1 16 27 7  f 20.0885 4.77317 0.778622     2.05863  4.86929      1.97123  14.6464     210.502     0           0           
1 1 1 16 27 8  o 11.8113 3.86473 -0.0526904   1.71227  -1.01701     1.61599  2.58348     291.639     1.40011     111.639     
1 1 1 16 27 9  o 20.3901 4.88933 2.40892      1.92397  3.95562      1.84659  12.4698     84.0471     7.39336     264.047     
1 1 1 16 27 10 o 12.8282 3.961   2.12694      1.98556  -0.408174    0.794085 3.22542     321.227     11.0294     141.227     
1 1 1 16 27 11 o 15.6618 5.10172 0.248627     2.77375  0.883142     2.91558  7.46474     354.198     2.0099      354.198     
1 1 1 16 27 12 o 17.2355 5.48066 2.30922      3.01155  1.06274      3.11627  9.92826     104.976     4.85977     284.976     
1 1 1 16 27 13 o 19.3414 5.8315  1.30336      3.09047  4.88303      3.21788  14.1113     113.571     0.642106    113.571     
1 1 1 16 27 14 o 18.0168 5.76776 -1.58107     4.04982  4.26433      3.44128  10.5769     214.447     4.56922     34.4473     
1 1 1 16 27 15 o 19.1245 6.36964 5.65811      4.83366  -0.696724    5.23974  8.10242     106.012     3.64003     106.012     
1 1 1 16 27 16 o 23.1685 6.4744  2.01119      3.14961  9.92927      4.06878  17.532      266.283     9.13303     266.283     
1 1 1 16 27 17 o 22.0451 5.95477 1.95772      3.02463  7.14622      3.11306  15.9969     7.25098     5.66295     7.25098     
1 1 1 16 27 18 o 13.1118 4.49324 -2.57552     2.71612  -1.11603     2.88619  0.233957    278.573     0.58241     98.5726     
1 1 1 16 27 19 o 18.5096 5.67285 2.98595      2.97473  2.77613      2.99896  8.24625     66.7721     0.0839441   66.772      
1 1 1 16 27 20 o 15.9768 5.18939 1.15322      2.90778  1.03084      2.92336  5.8687      117.301     5.65759     297.301     
1 1 1 16 27 21 o 16.523  5.30884 0.493514     2.98817  2.82486      2.98275  7.03872     43.1348     0.460208    223.135     
1 1 1 16 27 22 f 17.175  5.55598 0.401138     4.02661  3.67642      3.06291  7.96194     26.4833     0           0           
1 1 1 16 27 23 o 15.6991 5.14289 1.32218      2.9151   1.62349      2.98871  8.41498     284.228     0.0425615   104.228     
1 1 1 16 27 24 o 14.9645 4.9779  0.538829     2.91921  0.979328     2.96834  8.42622     325.586     2.28889     145.586     
1 1 1 16 27 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 28 0  o 9.16761 4.41657 -0.482987    1.91843  -0.482987    1.91843  6.5895      180         27.4531     180         
1 1 1 16 28 1  o 30.3358 6.06591 8.39832      2.93487  8.1449       2.98699  29.3745     226.041     9.93233     226.041     
1 1 1 16 28 2  o 14.6582 4.69731 -1.39505     1.93791  2.36108      2.62825  7.25272     334.747     2.25678     154.747     
1 1 1 16 28 3  o 11.7751 3.93271 -2.06152     1.92178  -0.151151    1.87977  2.80622     70.4054     3.49052     250.405     
1 1 1 16 28 4  o 13.3111 4.26692 -0.453623    1.92078  0.638691     1.88988  3.67904     186.678     0.794165    6.6777      
1 1 1 16 28 5  o 21.1752 4.86171 6.1835       2.21513  0.489864     2.17356  16.1089     50.0504     0.542265    50.0503     
1 1 1 16 28 6  o 16.2516 4.79181 1.35542      2.04605  2.00061      1.96243  7.93878     22.3173     1.3308      22.3174     
1 1 1 16 28 7  o 13.0624 4.13166 -0.0140478   1.8231   0.524377     1.61074  3.29322     101.325     2.90712     281.326     
1 1 1 16 28 8  o 17.3403 5.05712 1.09271      1.95278  3.35979      2.44359  2.14063     243.67      0.803541    243.67      
1 1 1 16 28 9  o 25.5476 6.3711  10.3026      3.62127  3.39081      3.17433  18.5287     54.0985     2.19476     234.099     
1 1 1 16 28 10 o 14.2348 4.8017  -0.986678    3.09373  -0.645831    2.7711   1.73339     0.578513    1.17122     180.579     
1 1 1 16 28 11 f 14.6584 4.86767 -0.410099    2.74707  0.132478     2.83876  10.1391     238.867     0           0           
1 1 1 16 28 12 o 11.9101 4.13998 -2.2324      2.56072  -3.90154     2.7604   0.144994    244.483     2.93284     64.483      
1 1 1 16 28 13 o 17.0402 5.37617 3.97161      3.09278  -1.16115     2.93942  2.55493     205.111     0.135729    25.1114     
1 1 1 16 28 14 o 18.2765 5.82474 1.98486      4.07078  3.15858      3.08295  8.2974      127.825     0.544664    307.825     
1 1 1 16 28 15 o 15.7893 5.2985  -0.147604    2.90035  1.36255      3.95318  4.1325      70.4214     1.08307     250.421     
1 1 1 16 28 16 o 17.5748 5.54731 2.72982      3.05481  2.42249      3.06011  8.91746     21.0161     3.60044     201.016     
1 1 1 16 28 17 o 21.404  6.01477 7.66422      3.22295  2.40684      3.24319  12.7721     106.634     6.37731     286.634     
1 1 1 16 28 18 o 15.052  4.99908 0.564779     2.89474  1.07444      2.99977  6.70116     288.174     1.24257     108.174     
1 1 1 16 28 19 o 16.2736 5.28371 3.70917      3.16509  -0.165696    2.98321  3.8587      61.9089     1.65534     61.9089     
1 1 1 16 28 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 28 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 29 0  o 24.9617 7.59719 6.54619      2.9961   6.54619      2.9961   2.85945     180         2.01287     180         
1 1 1 16 29 1  o 16.5193 5.06614 1.15366      2.1027   2.50261      2.64361  4.30449     204.783     0.691163    24.783      
1 1 1 16 29 2  o 21.0244 4.80297 7.03136      2.38136  -1.07764     2.34492  13.3235     3.62757     2.19435     183.628     
1 1 1 16 29 3  o 13.5026 4.32648 1.67311      2.00991  -3.05331     2.31841  0.952799    109.699     1.4635      289.699     
1 1 1 16 29 4  o 33.1404 5.12373 10.6405      2.60966  6.98254      2.51591  33.5819     9.62124     16.0067     9.62124     
1 1 1 16 29 5  o 19.4079 5.40476 4.41482      2.23494  1.29832      3.26678  11.1949     250.612     1.8269      70.6124     
1 1 1 16 29 6  f 18.0339 5.12339 3.43698      1.97654  1.05725      2.93403  9.20542     339.093     0           0           
1 1 1 16 29 7  o 19.5743 5.73442 5.33963      2.94525  1.74573      3.00796  11.2216     144.535     2.77394     144.535     
1 1 1 16 29 8  o 15.7059 5.10308 -0.315954    2.76726  2.43469      2.9343   6.1046      117.445     4.57832     297.445     
1 1 1 16 29 9  o 14.3413 4.77648 1.70386      2.75729  -2.40928     2.89418  3.63728     276.535     1.69474     96.5353     
1 1 1 16 29 10 o 24.3306 6.47524 7.03804      3.25893  7.28961      3.33773  19.7081     112.666     4.4144      112.666     
1 1 1 16 29 11 o 14.0672 4.70692 2.15587      2.8101   -3.45581     2.84038  4.87022     253.293     2.45017     73.2931     
1 1 1 16 29 12 o 16.6129 5.32885 -1.02054     3.07217  4.49708      3.14879  8.49129     101.978     5.08912     281.978     
1 1 1 16 29 13 o 14.9346 4.96963 0.227614     2.9241   1.27529      2.96005  7.49763     162.022     2.03582     342.022     
1 1 1 16 29 14 o 17.0783 5.60017 2.17354      4.20404  2.81349      3.05589  11.3272     131.813     1.78045     131.813     
1 1 1 16 29 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 29 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 30 0  f 13.8371 7.06802 -0.850687    7.77591  -0.850687    7.77591  1.74874     180         0           0           
1 1 1 16 30 1  o 17.1638 5.58838 3.93249      3.40721  1.0812       3.54169  11.4204     158.751     2.05117     158.751     
1 1 1 16 30 2  o 19.3372 5.37504 5.99285      2.56472  -0.226659    3.27937  15.1414     306.628     7.73853     306.628     
1 1 1 16 30 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 30 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 30 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 30 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 30 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 30 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 16 30 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 0  1  o 9.81492 4.81459 -2.17565     2.53315  -2.17565     2.53315  10.7591     270         23.0809     270         
1 1 1 17 0  2  o 81.5957 2.8383  36.5713      3.54651  36.5713      3.54651  95.8954     180         18.864      180         
1 1 1 17 0  3  o 46.4696 4.24061 12.3722      2.89566  12.3722      2.89566  40.6045     90          6.04395     90          
1 1 1 17 0  4  o 293.819 2.05429 470.573      9.29258  470.573      9.29258  357.796     1.77649e-06 92.655      1.77649e-06 
1 1 1 17 0  5  o 79.2036 2.87067 34.4824      3.4801   34.4824      3.4801   44.4573     270         78.9614     90          
1 1 1 17 0  6  o 88.3728 2.73437 42.8327      3.7048   42.8327      3.7048   76.5726     360         34.1043     180         
1 1 1 17 0  7  f 192.716 2.15609 202.565      6.39484  202.565      6.39484  244.773     90          0           0           
1 1 1 17 0  8  f 33.7698 6.04207 7.32047      2.71676  7.32047      2.71676  25.8888     0           0           0           
1 1 1 17 0  9  o 130.774 2.33091 93.4063      4.68718  93.4063      4.68718  151.163     90          25.6017     90          
1 1 1 17 0  10 o 90.9975 2.62671 45.384       3.66673  45.384       3.66673  136.628     180         81.3734     180         
1 1 1 17 0  11 o 98.3078 2.59162 52.9256      3.91089  52.9256      3.91089  68.4639     90          70.8503     270         
1 1 1 17 0  12 o 91.3424 2.66972 45.7422      3.74054  45.7422      3.74054  149.584     180         107.587     180         
1 1 1 17 0  13 o 60.0546 3.92097 20.2133      3.55108  20.2133      3.55108  66.1365     270         6.37712     270         
1 1 1 17 0  14 o 70.2125 3.53034 27.3418      3.77179  27.3418      3.77179  83.6145     180         19.2729     180         
1 1 1 17 0  15 o 88.5377 3.08695 43.1175      4.18525  43.1175      4.18525  124.725     90          62.9065     90          
1 1 1 17 0  16 o 123.716 2.73187 83.787       5.19298  83.787       5.19298  120.303     2.56239e-06 19.8307     180         
1 1 1 17 0  17 o 19.6708 6.91455 3.1534       2.53464  3.1534       2.53464  2.29541     90          15.3605     90          
1 1 1 17 0  18 o 64.7235 3.19475 23.2317      3.14785  23.2317      3.14785  66.2705     6.31116e-07 3.41757     180         
1 1 1 17 0  19 o 28.3708 6.96002 5.7951       2.74361  5.7951       2.74361  8.02645     90          33.7849     270         
1 1 1 17 0  20 o 103.445 3.05166 58.8304      4.84185  58.8304      4.84185  115.61      7.2112e-11  14.3836     7.2112e-11  
1 1 1 17 0  21 o 70.9842 3.58543 28.0395      3.87232  28.0395      3.87232  41.2233     90          66.1655     270         
1 1 1 17 0  22 o 53.7384 4.87373 16.6872      3.85142  16.6872      3.85142  49.3712     180         13.5647     8.65176e-06 
1 1 1 17 0  23 o 15.8109 6.71302 1.49039      2.93893  1.49039      2.93893  3.98821     90          16.5625     90          
1 1 1 17 0  24 o 143.221 2.61288 112.47       5.7539   112.47       5.7539   146.412     180         5.82593     8.65144e-06 
1 1 1 17 0  25 o 81.1432 2.57193 36.261       3.19893  36.261       3.19893  127.609     90          86.2619     90          
1 1 1 17 0  26 o 13.6055 5.6811  1.21489      2.04007  1.21489      2.04007  13.9547     180         50.5082     180         
1 1 1 17 0  27 o 69.7444 3.06305 27.0487      3.26027  27.0487      3.26027  66.1069     90          12.5618     270         
1 1 1 17 0  28 o 18.9106 6.61026 3.00937      2.31074  3.00937      2.31074  0.124999    360         0.010912    360         
1 1 1 17 0  29 o 11.9108 5.38227 0.267546     2.20357  0.267546     2.20357  0.650156    270         6.23001     270         
1 1 1 17 0  30 o 55.1254 3.62569 17.2642      3.01311  17.2642      3.01311  72.8331     180         31.8152     180         
1 1 1 17 0  31 o 35.7405 4.88573 7.89066      2.39957  7.89066      2.39957  38.1067     90          2.55987     90          
1 1 1 17 0  32 o 8.64673 4.23221 -1.46837     1.9301   -1.46837     1.9301   1.58068     180         5.13219     180         
1 1 1 17 0  33 o 17.3004 6.26316 2.56459      2.11255  2.56459      2.11255  5.89961     270         1.11783     270         
1 1 1 17 0  34 o 17.3024 6.33568 2.58475      2.17776  2.58475      2.17776  10.4341     180         12.6881     8.65139e-06 
1 1 1 17 0  35 o 7.90576 3.94373 -2.12539     1.91784  -2.12539     1.91784  0.637975    90          3.41554     90          
1 1 1 17 0  36 o 41.2958 4.04899 10.1317      2.43363  10.1317      2.43363  44.9255     360         5.55745     360         
1 1 1 17 0  37 o 20.2861 6.4863  3.53566      2.1799   3.53566      2.1799   14.072      90          7.75584     90          
1 1 1 17 0  38 o 15.7564 6.18524 2.15407      2.21117  2.15407      2.21117  5.2241      2.72079e-06 19.1773     180         
1 1 1 17 0  39 o 22.8559 6.59994 4.32295      2.28499  4.32295      2.28499  5.02423     90.0001     3.49913     90.0001     
1 1 1 17 0  40 o 24.2301 6.85989 4.89979      2.48329  4.89979      2.48329  26.9651     4.35994e-06 6.20197     4.35994e-06 
1 1 1 17 0  41 o 28.0724 6.62498 6.08371      2.55167  6.08371      2.55167  16.9208     270         22.8071     90          
1 1 1 17 0  42 o 23.0111 6.67506 4.5671       2.33444  4.5671       2.33444  27.1501     4.96162e-09 8.92166     4.96162e-09 
1 1 1 17 0  43 o 15.6894 6.51358 2.29902      2.65505  2.29902      2.65505  14.6879     90          3.09474     90          
1 1 1 17 0  44 o 10.6692 5.07026 -0.359438    2.36324  -0.359438    2.36324  0.631147    360         16.7683     180         
1 1 1 17 0  45 o 8.35473 4.15295 -1.79233     2.06841  -1.79233     2.06841  1.3888      270         10.3881     270         
1 1 1 17 0  46 o 30.4741 6.30481 7.0945       2.56945  7.0945       2.56945  33.108      180         5.50642     180         
1 1 1 17 0  47 o 12.875  6.03931 0.60395      3.16751  0.60395      3.16751  9.75477     90          0.757915    90          
1 1 1 17 0  48 o 22.2667 7.98943 5.82121      3.41954  5.82121      3.41954  28.9127     180         18.0467     180         
1 1 1 17 0  49 o 12.192  5.62889 0.809815     2.58828  0.809815     2.58828  6.03368     90          0.138018    270         
1 1 1 17 0  50 o 10.5092 5.02694 -0.173513    2.39655  -0.173513    2.39655  2.37226     180         1.60749     360         
1 1 1 17 0  51 o 16.3765 6.52169 3.07673      2.50193  3.07673      2.50193  9.37371     270         2.50924     270         
1 1 1 17 0  52 o 10.8673 5.13267 0.241804     2.35546  0.241804     2.35546  0.093556    360         0.360244    180         
1 1 1 17 0  53 o 10.1202 4.85892 -0.0651823   2.28119  -0.0651823   2.28119  1.09675     270         1.95351     90          
1 1 1 17 0  54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 1  0  o 22.4103 7.20263 4.00504      2.68878  4.00504      2.68878  36.874      270         109.927     270         
1 1 1 17 1  1  o 168.698 2.19294 153.018      5.68085  157.512      5.71218  163.59      328.447     26.0791     148.447     
1 1 1 17 1  2  o 120.168 2.39239 79.7082      4.43151  78.0385      4.41347  142.151     285.292     37.7327     285.292     
1 1 1 17 1  3  o 162.743 2.29347 147.168      5.5434   141.896      5.93636  191.368     244.371     43.4628     244.371     
1 1 1 17 1  4  o 48.7003 3.98557 12.0604      2.91042  14.3311      2.93878  21.3643     47.5635     46.8499     227.563     
1 1 1 17 1  5  o 63.5647 3.2656  20.6599      3.13994  23.827       3.20034  59.1475     256.772     1.39868     76.7722     
1 1 1 17 1  6  o 105.782 2.50686 60.2243      4.09167  62.1028      4.06248  101.64      338.689     13.3472     158.689     
1 1 1 17 1  7  o 166.143 2.28112 151.958      6.0514   149.327      5.61598  233.941     233.989     123.777     233.989     
1 1 1 17 1  8  o 55.5186 3.74309 15.2802      3.1917   18.8994      3.08435  24.2216     185.409     58.1993     5.40879     
1 1 1 17 1  9  o 110.707 2.45977 67.7132      4.19165  66.2638      4.18429  98.8395     247.947     29.9217     67.9472     
1 1 1 17 1  10 o 78.6033 2.96087 32.9113      3.66452  34.8626      3.46604  50.7551     156.401     56.9454     336.401     
1 1 1 17 1  11 o 44.2128 4.38356 9.12482      2.87768  12.9426      2.8407   31.69       124.527     3.33921     304.527     
1 1 1 17 1  12 o 79.1405 2.94333 37.7226      3.70348  31.1352      3.44053  64.415      236.474     30.5772     56.4736     
1 1 1 17 1  13 o 49.9964 4.43466 13.0209      3.12027  14.9445      3.56234  3.03099     173.543     104.717     173.543     
1 1 1 17 1  14 o 126.222 2.70163 84.377       5.26348  90.0677      5.22085  131.538     62.3685     1.59634     62.3687     
1 1 1 17 1  15 o 61.9492 3.72367 22.9019      3.50928  19.62        3.50946  71.7159     262.83      25.2694     262.83      
1 1 1 17 1  16 o 80.0489 3.24024 31.3841      3.91236  39.3467      4.01318  64.5798     17.8065     34.2842     197.806     
1 1 1 17 1  17 o 20.9412 5.65265 2.27186      2.69011  1.17497      2.39775  4.94604     1.66592     31.5639     1.66592     
1 1 1 17 1  18 o 33.1809 5.58515 8.40628      3.14575  4.56665      2.55192  18.7742     122.833     11.3864     302.833     
1 1 1 17 1  19 o 64.3631 3.70303 27.0629      3.43499  19.2238      3.69492  64.6115     236.579     2.56102     236.579     
1 1 1 17 1  20 o 88.2654 3.57823 41.9231      5.08119  44.2797      4.57232  85.2545     274.733     9.02855     94.7332     
1 1 1 17 1  21 f 73.1402 3.66887 31.1118      4.12646  28.32        4.0789   71.4923     96.8305     0           0           
1 1 1 17 1  22 o 38.69   4.78967 8.91727      2.75648  8.28886      2.74152  32.2042     284.678     2.24116     104.678     
1 1 1 17 1  23 o 76.3849 2.8386  36.4722      3.5099   28.1861      3.13984  49.8904     301.016     56.1511     121.016     
1 1 1 17 1  24 o 38.6931 4.88599 7.77094      2.70557  9.6198       2.90187  31.1882     268.505     9.348       88.5048     
1 1 1 17 1  25 o 39.6581 5.15794 8.28863      2.86324  10.1491      3.20906  25.9395     181.786     24.6316     1.78604     
1 1 1 17 1  26 o 73.4756 3.77224 28.0038      3.54043  32.7829      4.9063   77.0333     249.208     4.55727     249.208     
1 1 1 17 1  27 o 48.5491 3.72568 14.0409      2.6711   12.6839      2.79333  52.3767     32.4174     8.15806     32.4174     
1 1 1 17 1  28 o 59.4935 3.30804 22.9048      2.78576  17.0595      3.10494  46.361      169.899     28.2286     349.899     
1 1 1 17 1  29 o 53.7038 3.36519 15.298       2.74923  17.281       2.74974  48.0334     182.165     12.23       2.16458     
1 1 1 17 1  30 o 21.4603 5.18716 3.76567      2.1973   1.0689       2.13989  15.011      60.3162     0.828797    60.3163     
1 1 1 17 1  31 o 54.887  3.2676  15.1067      2.75794  19.1116      2.66603  50.5318     163.508     9.51685     343.508     
1 1 1 17 1  32 o 40.266  4.02514 11.4885      2.36397  7.58803      2.38569  29.8701     154.323     20.0488     334.323     
1 1 1 17 1  33 o 14.0775 4.46793 -1.41223     2.03415  -0.0914229   2.03277  2.06722     285.858     15.1682     105.858     
1 1 1 17 1  34 o 21.1137 5.20136 0.706265     2.38327  3.74555      2.11541  14.2231     134.317     9.25616     314.317     
1 1 1 17 1  35 o 64.5093 2.97431 22.9693      3.00889  24.2503      2.85912  58.8219     7.27604     13.0789     187.276     
1 1 1 17 1  36 o 32.6057 4.80229 6.88138      2.33168  6.33737      2.33411  30.6589     69.2251     1.65398     249.225     
1 1 1 17 1  37 o 18.6641 5.01932 2.92018      2.11346  0.137295     2.13043  2.52922     34.7188     28.6323     214.719     
1 1 1 17 1  38 o 17.1888 4.9676  1.68013      2.12713  0.395432     2.09306  5.00885     69.1413     1.2746      69.1413     
1 1 1 17 1  39 o 22.9226 5.36045 3.55974      2.17524  3.16909      2.23384  16.3703     346.935     7.85522     166.935     
1 1 1 17 1  40 o 56.0795 3.60369 18.5979      3.06552  18.8545      3.09061  57.6981     89.4377     3.98076     89.4377     
1 1 1 17 1  41 o 13.5571 4.42497 -1.22565     2.13766  -0.690679    2.17836  4.9925      309.336     5.90314     129.336     
1 1 1 17 1  42 o 24.6478 5.3886  5.25041      2.3121   3.3199       2.28402  18.6845     79.9992     8.44807     259.999     
1 1 1 17 1  43 o 36.4707 5.45256 7.7368       2.92769  11.2387      3.02417  33.6139     99.8279     3.70198     279.828     
1 1 1 17 1  44 o 20.8591 5.57728 2.60679      2.45344  3.48377      2.47518  8.33273     234.103     21.851      54.103      
1 1 1 17 1  45 o 18.0581 5.12713 3.07986      2.22115  0.341712     2.39896  13.5853     69.4975     2.15265     249.497     
1 1 1 17 1  46 o 22.2551 6.00021 2.03083      2.80059  5.99715      3.13951  21.3862     185.543     15.0648     185.543     
1 1 1 17 1  47 o 16.5052 5.16714 1.96172      2.7225   0.132689     2.50175  14.3856     246.489     5.58218     246.489     
1 1 1 17 1  48 o 15.9541 5.06131 1.72188      2.57615  -0.258885    2.674    10.6446     74.5036     4.89335     254.504     
1 1 1 17 1  49 o 15.456  4.95812 1.77962      2.57778  -1.00005     2.68711  10.4045     174.815     3.70092     174.815     
1 1 1 17 1  50 o 22.4099 5.62199 3.22893      2.44594  5.71706      2.556    23.8447     319.859     10.7073     319.859     
1 1 1 17 1  51 o 12.0938 4.14595 -2.06928     2.51915  -1.86668     2.27372  1.57348     138.546     2.09688     318.546     
1 1 1 17 1  52 o 17.5196 5.34886 2.82468      2.79179  1.89962      2.47001  11.3528     315.513     1.14289     135.513     
1 1 1 17 1  53 o 20.117  5.56815 1.82088      2.56602  6.36336      2.79475  18.0832     48.7702     4.0148      48.7702     
1 1 1 17 1  54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 2  0  o 134.791 2.31292 99.2042      4.79439  99.2042      4.79439  140.677     270         4.29919     90          
1 1 1 17 2  1  f 115.132 2.54785 71.6895      4.66559  73.1915      4.34804  160.282     342.859     0           0           
1 1 1 17 2  2  o 31.3416 5.60312 4.79394      2.81043  6.44098      2.63801  1.90442     83.4451     32.0789     263.445     
1 1 1 17 2  3  o 36.913  5.03808 7.07455      2.76712  8.44263      2.74836  11.2547     206.606     30.5346     26.6065     
1 1 1 17 2  4  o 23.6156 5.79518 5.09785      3.1085   -0.416441    2.59109  11.8553     259.659     45.2099     259.659     
1 1 1 17 2  5  o 131.307 2.33263 92.7091      4.71893  95.5545      4.70919  171.219     122.829     73.1015     122.829     
1 1 1 17 2  6  o 119.107 2.4033  78.5742      4.41291  76.436       4.39357  113.404     220.003     18.8925     40.0034     
1 1 1 17 2  7  o 95.806  2.6054  50.3856      3.80828  50.0211      3.86446  86.4365     106.243     21.9411     286.243     
1 1 1 17 2  8  o 131.939 2.33014 91.8517      4.71314  98.3046      4.74815  108.748     121.669     56.4588     301.669     
1 1 1 17 2  9  o 145.981 2.27649 113.109      5.11918  119.572      5.11252  185.634     207.775     69.8982     207.775     
1 1 1 17 2  10 o 201.293 2.14226 233.301      6.66361  209.252      6.60534  187.043     341.358     47.8787     161.358     
1 1 1 17 2  11 o 105.36  2.60846 58.438       4.08427  63.0558      4.3682   110.88      289.705     6.50133     289.705     
1 1 1 17 2  12 o 72.0895 3.22985 29.8         3.55172  27.3574      3.57584  50.436      349.376     43.6782     169.376     
1 1 1 17 2  13 o 56.2332 3.89703 17.5997      3.44165  17.4551      3.21734  52.9357     40.5299     0.405395    40.5297     
1 1 1 17 2  14 f 29.9733 6.39272 7.87202      3.76522  2.22888      2.97785  29.5136     41.0348     0           0           
1 1 1 17 2  15 o 63.16   3.71808 25.1195      3.61155  19.2084      3.51363  73.3918     93.539      25.1471     93.539      
1 1 1 17 2  16 f 70.9908 3.19191 29.7665      3.47784  25.7964      3.45211  96.913      321.818     0           0           
1 1 1 17 2  17 o 73.1365 3.0287  28.8276      3.29469  30.0316      3.49743  52.2644     50.5427     43.936      230.543     
1 1 1 17 2  18 o 156.985 2.56517 135.481      6.22389  134.358      6.17816  170.485     358.971     14.6391     358.971     
1 1 1 17 2  19 o 107.187 3.10803 61.4337      5.10005  65.022       5.13599  112.582     269.947     5.12018     269.947     
1 1 1 17 2  20 o 85.3687 3.39164 40.7687      4.45433  39.7696      4.42678  84.073      159.551     4.89949     339.551     
1 1 1 17 2  21 o 44.9235 5.45645 11.843       3.47294  11.4443      3.79282  35.1729     109.791     13.0018     289.791     
1 1 1 17 2  22 o 55.6183 3.33226 17.5957      2.75627  16.7896      2.89104  54.5746     161.2       0.913531    161.2       
1 1 1 17 2  23 o 68.8063 3.00966 27.0339      3.18892  25.3655      3.15598  69.4199     111.929     0.645532    111.93      
1 1 1 17 2  24 o 97.6618 2.56574 51.6257      3.84566  53.4402      3.85739  103.426     96.045      6.6165      96.045      
1 1 1 17 2  25 o 19.6907 5.51135 2.50219      2.6074   -0.313448    2.55551  3.98172     283.161     14.1789     103.161     
1 1 1 17 2  26 o 20.9646 5.60985 1.35218      2.43642  2.53225      2.56289  9.20734     65.0754     9.75209     245.075     
1 1 1 17 2  27 o 16.0432 4.96962 0.378822     2.28367  -1.36795     2.49232  9.98788     165.578     47.5475     165.578     
1 1 1 17 2  28 o 44.0834 3.7462  9.78191      2.44843  12.4511      2.50758  21.4901     73.2287     45.6753     253.229     
1 1 1 17 2  29 o 48.8408 3.51016 11.9497      2.5175   15.2052      2.67313  44.1708     23.1931     9.47287     203.193     
1 1 1 17 2  30 o 39.4271 4.33563 8.32417      2.46684  9.8989       2.62356  48.7607     88.5427     22.9067     88.5427     
1 1 1 17 2  31 o 87.9482 2.77576 46.9048      3.61851  39.6681      3.83624  107.226     213.902     35.358      213.902     
1 1 1 17 2  32 o 42.3191 3.99567 11.4161      2.64347  9.46336      2.4317   52.5049     178.077     23.2214     178.077     
1 1 1 17 2  33 o 22.2841 5.31546 3.96898      2.33615  1.74163      2.09903  11.2183     62.2809     18.1302     242.281     
1 1 1 17 2  34 o 58.6303 3.06924 17.2503      2.7172   21.8796      2.75651  68.2749     82.8875     18.4784     82.8875     
1 1 1 17 2  35 o 57.2505 3.15378 15.5619      2.7042   22.1434      2.74348  59.6363     117.165     3.87499     117.165     
1 1 1 17 2  36 o 18.8823 5.11171 2.69525      2.1508   0.545058     2.16011  10.2815     126.714     12.2229     306.714     
1 1 1 17 2  37 o 18.8522 5.16276 1.12053      2.23675  2.28115      2.09862  6.61624     208.087     19.8962     28.0873     
1 1 1 17 2  38 o 17.4988 5.08004 1.03978      2.31293  1.20858      2.07684  9.99071     171.6       6.10226     351.6       
1 1 1 17 2  39 o 36.0441 4.58996 8.53312      2.50076  7.71547      2.40711  24.8458     167.004     20.5558     347.004     
1 1 1 17 2  40 o 17.2227 5.12938 -0.0316123   2.46353  1.6839       2.27966  6.85401     110.383     1.93999     110.383     
1 1 1 17 2  41 o 16.8353 4.87576 -1.39222     2.2242   2.65801      2.2141   8.03249     263.302     11.8253     83.3018     
1 1 1 17 2  42 o 29.3591 5.63118 5.9363       2.56625  6.48317      2.65506  27.1263     312.396     1.16389     132.396     
1 1 1 17 2  43 o 20.3135 5.54424 4.64125      2.61325  -1.01395     3.16827  20.5615     111.546     8.85244     111.546     
1 1 1 17 2  44 o 22.1727 5.71328 1.2942       2.45488  5.82741      2.92218  13.7963     264.695     12.9967     84.6954     
1 1 1 17 2  45 o 15.9137 5.06789 -1.011       2.74099  1.29598      2.60488  4.64719     10.0524     18.1057     190.052     
1 1 1 17 2  46 o 36.1098 5.51714 9.65145      3.11029  10.0256      2.84554  35.5302     188.502     1.55164     188.502     
1 1 1 17 2  47 o 24.6204 5.51535 6.11284      2.42396  3.68254      2.41689  23.2288     26.4993     1.0806      26.4993     
1 1 1 17 2  48 o 25.8766 5.71823 6.43859      2.59783  4.94008      2.49452  27.7465     171.931     8.87686     171.931     
1 1 1 17 2  49 o 16.5367 5.27567 1.819        2.83344  0.517114     2.89805  9.30383     142.579     9.47499     322.579     
1 1 1 17 2  50 o 17.3998 5.34448 2.27317      2.59863  1.84707      2.73975  13.8769     82.9261     1.3481      82.9261     
1 1 1 17 2  51 o 16.3391 5.04558 2.0702       2.39921  0.977464     2.43439  9.11804     95.7311     3.85087     275.731     
1 1 1 17 2  52 o 21.7129 5.45662 1.93422      2.49593  6.45569      2.56568  18.0831     225.515     0.422419    225.515     
1 1 1 17 2  53 o 15.8585 4.97774 1.71705      2.47408  1.8558       2.38168  11.1681     246.012     1.57417     246.012     
1 1 1 17 2  54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 3  0  o 40.7529 5.45869 10.0038      3.06779  10.0038      3.06779  23.1401     90          27.7242     270         
1 1 1 17 3  1  o 135.488 2.30914 108.442      4.84263  92.2969      4.77032  130.92      259.099     19.2863     79.0988     
1 1 1 17 3  2  o 108.903 2.48437 61.1231      4.15847  68.6088      4.15212  107.917     84.5325     7.21693     264.533     
1 1 1 17 3  3  o 142.501 2.28639 110.104      5.00037  111.525      5.03393  193.1       85.3258     93.1822     85.3258     
1 1 1 17 3  4  o 150.772 2.24924 120.641      5.2234   127.495      5.21764  145.559     283.423     22.8529     103.423     
1 1 1 17 3  5  o 65.4232 3.30176 29.1326      3.26242  18.5392      3.21899  64.6729     266.12      6.56878     266.12      
1 1 1 17 3  6  o 23.478  5.78545 1.21798      2.63281  3.93496      2.69013  12.7139     173.692     47.3786     173.692     
1 1 1 17 3  7  o 112.232 2.45348 63.7849      4.22955  74.0852      4.22195  97.7182     115.386     35.4027     295.387     
1 1 1 17 3  8  o 84.8604 2.87488 41.72        3.86172  37.2532      3.63043  111.82      254.717     62.1252     254.717     
1 1 1 17 3  9  o 257.826 2.14669 371.398      8.81248  354.211      8.23347  302.81      126.394     64.485      126.394     
1 1 1 17 3  10 o 67.8272 3.2622  24.2963      3.45887  26.3237      3.30179  75.196      154.279     22.5138     154.279     
1 1 1 17 3  11 o 246.539 2.23458 329.079      8.46543  334.533      8.50125  293.696     112.716     70.5335     112.716     
1 1 1 17 3  12 o 30.2546 6.0602  3.97003      2.80504  6.50785      3.16314  13.8896     346.047     79.7097     346.047     
1 1 1 17 3  13 o 27.1705 6.0527  3.97967      2.83183  4.15496      2.82384  6.88422     276.534     55.4612     276.534     
1 1 1 17 3  14 o 84.0013 3.1789  39.132       4.09697  38.42        4.09678  67.231      172.994     37.0395     352.994     
1 1 1 17 3  15 o 99.4283 3.26773 55.2958      4.97624  53.3783      5.00103  117.137     211.133     30.9611     211.133     
1 1 1 17 3  16 o 53.2014 4.36194 17.4741      3.51247  14.261       3.47148  63.6184     219.217     38.5828     219.217     
1 1 1 17 3  17 o 87.9959 3.0434  36.2908      3.9538   49.3504      4.23238  74.9283     90.3152     30.0622     270.315     
1 1 1 17 3  18 o 29.1447 6.24985 4.96267      2.96136  4.68974      3.14098  0.925564    188.392     46.2475     8.3921      
1 1 1 17 3  19 o 106.648 3.27631 64.941       5.08177  60.4597      5.61408  132.755     37.0908     48.1701     37.0908     
1 1 1 17 3  20 o 103.789 2.80946 59.5196      4.48664  58.9351      4.47713  88.5228     260.446     36.187      80.4462     
1 1 1 17 3  21 o 35.8074 4.90873 7.29308      2.60088  7.51558      2.61695  27.6227     317.992     0.159861    137.993     
1 1 1 17 3  22 o 20.5011 5.36736 2.85206      2.30956  0.617548     2.34948  2.28791     64.0952     28.5353     64.0952     
1 1 1 17 3  23 o 84.2525 2.74686 37.7547      3.56489  40.5633      3.53879  103.98      132.016     37.6146     132.016     
1 1 1 17 3  24 o 22.7654 5.46635 2.63702      2.32375  2.93898      2.2549   8.20579     256.853     10.2554     76.8529     
1 1 1 17 3  25 o 18.6376 4.69722 -1.6853      1.99571  3.49433      2.08624  3.74242     285.098     9.98022     105.098     
1 1 1 17 3  26 o 13.1265 4.25605 -1.23667     1.93976  -1.26981     1.95861  1.04649     122.979     8.62205     122.979     
1 1 1 17 3  27 o 21.0201 5.32819 3.69169      2.36251  0.160774     2.37653  10.4555     343.873     13.1302     163.873     
1 1 1 17 3  28 o 23.7844 5.61721 3.61118      2.43213  2.81496      2.41556  16.6435     62.2583     6.55965     62.2583     
1 1 1 17 3  29 o 31.1278 5.29881 7.32601      2.54588  4.48714      2.54187  16.6776     12.3322     26.5728     192.332     
1 1 1 17 3  30 o 58.2892 3.07074 17.8916      2.73948  20.3665      2.72207  66.3283     83.5066     15.5954     83.5066     
1 1 1 17 3  31 o 40.5575 4.0237  9.56104      2.40236  9.58089      2.48462  34.8863     240.994     10.1831     60.9939     
1 1 1 17 3  32 o 19.2783 5.21378 2.25416      2.21597  1.12067      2.14041  8.50413     77.5042     14.9212     257.504     
1 1 1 17 3  33 o 59.3924 3.5883  24.316       2.99363  16.4726      3.30775  46.5377     105.328     27.022      285.328     
1 1 1 17 3  34 o 31.0209 5.39837 7.62621      2.34764  4.38621      2.95234  28.1176     73.7378     3.52115     253.738     
1 1 1 17 3  35 o 43.4082 3.93377 10.2759      2.44964  11.9854      2.68985  40.0563     2.23293     6.38001     182.233     
1 1 1 17 3  36 o 21.9935 5.42164 1.77981      2.12221  4.02502      2.47562  19.1245     235.548     1.08667     235.548     
1 1 1 17 3  37 o 13.4713 4.34421 -0.827104    2.02162  -0.838643    1.96768  2.13908     332.5       14.2866     152.5       
1 1 1 17 3  38 o 37.7171 4.3016  8.51203      2.39059  8.88888      2.43615  42.3746     165.82      12.3741     165.82      
1 1 1 17 3  39 f 20.941  5.39785 2.78865      2.23858  2.49453      2.28443  13.5785     299.347     0           0           
1 1 1 17 3  40 o 28.2856 5.62169 5.54418      2.55781  5.49505      2.54187  21.0578     67.164      11.0271     247.164     
1 1 1 17 3  41 o 17.3248 5.16763 2.30262      2.42353  -0.768049    2.54681  11.957      3.65481     1.64943     183.655     
1 1 1 17 3  42 o 21.9558 5.89436 3.77221      2.9274   2.98514      2.56442  16.6758     18.7885     6.11428     198.788     
1 1 1 17 3  43 o 22.2352 5.66113 1.58914      2.8586   5.04538      2.52656  23.4633     286.729     9.38767     286.729     
1 1 1 17 3  44 o 14.7797 4.85854 -1.14567     2.78001  -0.484663    2.57463  3.81764     249.805     1.0699      249.805     
1 1 1 17 3  45 o 15.1872 4.8977  -0.243409    2.64849  0.124321     2.43139  7.80134     105.713     2.15629     105.713     
1 1 1 17 3  46 o 30.0829 5.21393 9.01406      2.51656  4.76103      2.45025  23.3573     178.048     10.9352     358.048     
1 1 1 17 3  47 o 37.1051 5.53427 9.59903      3.29048  11.6965      2.82938  34.3814     225.814     2.73932     45.8141     
1 1 1 17 3  48 o 17.5068 5.32447 2.50684      2.73822  1.37848      2.44189  13.1034     9.12175     6.93714     9.12175     
1 1 1 17 3  49 o 15.8141 4.95134 0.326285     2.50133  1.75654      2.34234  12.0392     241.291     0.794895    241.291     
1 1 1 17 3  50 o 18.2712 5.30741 2.40848      2.418    2.83631      2.37956  15.3776     266.222     4.03347     266.222     
1 1 1 17 3  51 o 20.7424 5.76061 4.50993      2.6804   3.42366      2.74292  16.4054     187.914     5.97809     187.914     
1 1 1 17 3  52 f 14.8879 4.78528 1.60023      2.40993  -0.248419    2.45125  17.0011     243.79      0           0           
1 1 1 17 3  53 o 15.7638 4.92957 2.72262      2.34718  0.421972     2.53852  11.413      305.962     2.33023     305.962     
1 1 1 17 3  54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 4  0  o 17.6692 6.85049 2.39829      2.67508  2.39829      2.67508  19.0381     270         50.258      270         
1 1 1 17 4  1  o 208.956 2.12734 248.628      6.84412  228.01       6.83679  213.681     268.91      10.4876     88.9105     
1 1 1 17 4  2  o 95.6505 2.65546 49.566       3.88829  50.5328      3.91898  107.023     263.22      22.1028     263.22      
1 1 1 17 4  3  o 113.772 2.53115 72.9548      4.60267  68.5811      4.25598  147.808     90.0628     65.7084     90.0628     
1 1 1 17 4  4  o 53.2179 4.03286 13.4376      3.31578  18.1641      3.07102  29.5204     71.3848     40.2772     251.385     
1 1 1 17 4  5  o 79.593  2.96457 37.5378      3.72073  32.0308      3.51658  99.6287     201.088     48.8082     201.088     
1 1 1 17 4  6  o 63.4137 3.37395 17.7208      3.19984  27.0473      3.22588  28.3287     278.882     68.1406     98.8817     
1 1 1 17 4  7  o 121.689 2.4043  79.46        4.51192  82.3862      4.48835  109.683     294.527     31.6407     114.527     
1 1 1 17 4  8  o 43.842  4.54526 13.0165      2.91526  8.77295      2.93891  3.30898     279.359     74.9572     99.3588     
1 1 1 17 4  9  o 154.913 2.26028 129.574      5.39525  132.441      5.38793  156.078     119.816     9.98656     299.816     
1 1 1 17 4  10 o 20.5829 5.74695 2.38283      2.78785  -0.1406      2.75106  19.0071     152.987     60.9193     152.987     
1 1 1 17 4  11 o 110.787 2.62652 68.9107      4.49144  65.4237      4.45607  72.511      339.687     84.086      159.687     
1 1 1 17 4  12 o 176.542 2.50199 167.234      6.81701  173.437      6.78424  188.116     167.762     8.05108     167.762     
1 1 1 17 4  13 o 157.815 2.71969 134.054      6.34564  138.436      6.86969  187.29      339.544     46.6188     339.544     
1 1 1 17 4  14 o 94.2202 3.10612 45.3366      4.4787   52.2923      4.49279  89.1935     46.9105     14.8106     226.911     
1 1 1 17 4  15 o 29.125  6.25858 5.59196      3.14185  3.97043      3.00637  5.59757     158.859     61.9157     158.859     
1 1 1 17 4  16 o 99.0811 2.99224 58.6069      4.57251  49.4279      4.51615  99.0036     156.068     5.02535     336.068     
1 1 1 17 4  17 o 20.6201 5.95012 1.25525      3.10574  0.720599     2.86439  9.63145     55.5237     44.1764     55.5237     
1 1 1 17 4  18 o 61.7875 3.34532 22.8374      3.14532  19.4723      3.15426  59.8206     245.41      1.18395     65.41       
1 1 1 17 4  19 o 43.3716 4.70679 8.48002      3.0017   13.1581      2.96634  34.3725     27.1657     8.97768     207.166     
1 1 1 17 4  20 o 21.1068 5.7378  0.531349     2.70427  2.68223      2.67527  25.6223     321.716     86.1347     321.716     
1 1 1 17 4  21 o 93.3524 2.90445 52.6315      4.18984  43.6359      4.11804  76.0807     235.338     38.9703     55.3378     
1 1 1 17 4  22 o 27.7759 5.26238 6.41401      2.40992  2.49761      2.43785  11.0247     244.324     22.1195     64.3241     
1 1 1 17 4  23 o 28.0588 5.26724 4.71207      2.2525   4.53499      2.37708  15.1708     255.292     14.7854     75.2916     
1 1 1 17 4  24 o 55.9369 3.17939 16.3853      2.71079  18.5166      2.71154  67.3879     180.95      25.2731     180.95      
1 1 1 17 4  25 o 40.1824 3.91405 9.67039      2.35539  8.74496      2.35403  28.6567     36.1609     21.2522     216.161     
1 1 1 17 4  26 o 82.9821 2.56603 33.577       3.23624  42.8753      3.27154  75.5487     83.8446     18.9536     263.845     
1 1 1 17 4  27 o 16.9671 4.91722 0.906633     2.01315  0.52675      2.09294  3.26687     235.516     18.0115     55.5161     
1 1 1 17 4  28 o 71.5241 2.88658 27.6213      3.28065  29.453       3.03462  77.8601     302.097     10.4705     302.097     
1 1 1 17 4  29 o 59.6364 3.44487 20.3063      3.24353  19.9446      3.02582  49.5379     340.537     21.5729     160.537     
1 1 1 17 4  30 f 56.0425 3.60422 15.0888      2.93853  20.9668      3.17906  37.7946     261.018     0           0           
1 1 1 17 4  31 o 29.014  4.79315 7.58987      2.22976  2.78227      2.18386  20.0639     161.519     14.722      341.519     
1 1 1 17 4  32 o 62.6346 3.03676 21.0799      2.85501  23.2205      2.96653  73.7387     199.821     21.5711     199.821     
1 1 1 17 4  33 o 23.1779 5.27417 1.67746      2.22412  4.58503      2.27707  21.6482     19.8837     3.85337     19.8837     
1 1 1 17 4  34 o 18.1127 5.06343 -0.0575182   2.11155  2.40946      2.23816  6.70976     224.042     19.4045     44.0418     
1 1 1 17 4  35 o 54.814  3.29726 16.7183      2.82422  17.8786      2.67748  58.9705     84.7236     8.12989     84.7236     
1 1 1 17 4  36 o 14.8862 4.59438 0.928653     2.03688  -1.50749     2.09884  1.56003     245.098     0.107927    65.0976     
1 1 1 17 4  37 o 49.4534 3.59781 15.2799      2.63202  13.5067      2.74689  44.7893     63.3686     8.63543     243.369     
1 1 1 17 4  38 o 21.7271 5.6612  2.98562      2.15226  2.53241      2.92104  17.8453     17.6472     0.761442    17.6473     
1 1 1 17 4  39 o 15.0211 4.67975 1.1615       2.10703  -2.6477      2.46545  6.27322     85.3798     4.02365     265.38      
1 1 1 17 4  40 o 14.5457 4.64805 0.3078       2.19924  -1.50579     2.3244   1.26301     193.055     21.2789     13.0551     
1 1 1 17 4  41 o 14.8594 4.63563 1.11231      2.13566  -1.37854     2.15939  7.10459     169.027     8.16802     349.027     
1 1 1 17 4  42 o 25.6906 5.22742 7.61825      2.53898  1.587        2.49319  26.6692     313.407     6.33979     313.407     
1 1 1 17 4  43 o 15.8317 5.02358 -0.381191    2.70869  0.628087     2.41931  5.44119     245.08      2.5268      245.08      
1 1 1 17 4  44 o 34.4933 6.53912 6.9256       5.38925  12.9122      3.22681  38.465      303.565     12.4955     303.565     
1 1 1 17 4  45 o 19.5958 5.41492 1.00732      2.89422  3.66029      2.24855  16.4855     348.588     0.349726    168.588     
1 1 1 17 4  46 o 16.1767 5.10993 1.31112      2.59426  0.178296     2.63305  11.8411     161.946     6.49993     161.946     
1 1 1 17 4  47 o 14.5855 4.7531  -0.859623    2.27113  0.727174     2.65407  10.5188     338.073     1.7846      338.073     
1 1 1 17 4  48 o 23.6615 5.53257 6.24311      2.45277  3.13447      2.52486  19.3554     66.957      4.43986     246.957     
1 1 1 17 4  49 o 13.072  4.34176 -1.76394     2.20391  0.249859     2.28173  7.00774     121.563     0.06494     301.563     
1 1 1 17 4  50 o 14.0454 4.57867 -0.63606     2.31355  0.691033     2.31343  5.38848     163.536     0.0697736   163.536     
1 1 1 17 4  51 o 18.7956 5.3843  3.01009      2.41902  2.90288      2.428    12.4372     77.6931     2.02724     77.6931     
1 1 1 17 4  52 o 13.7304 4.59083 0.188778     2.52201  -0.820228    2.62575  3.99292     11.1268     0.501341    191.127     
1 1 1 17 4  53 o 13.8022 4.52851 1.50486      2.3516   -1.09853     2.34981  8.60273     302.884     1.68969     122.884     
1 1 1 17 4  54 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 5  0  o 54.1942 4.38279 16.677       3.53384  16.677       3.53384  54.5591     270         0.511612    270         
1 1 1 17 5  1  o 175.03  2.34571 171.141      6.29212  163.371      6.34848  213.357     183.932     63.1803     183.932     
1 1 1 17 5  2  f 115.364 2.46475 69.1978      4.38164  76.3661      4.35602  79.233      72.7496     0           0           
1 1 1 17 5  3  o 48.0995 4.14461 12.7762      3.0048   12.9938      3.00805  25.0185     257.712     36.0991     77.7116     
1 1 1 17 5  4  o 65.1323 3.24853 23.5062      3.2387   23.1563      3.2357   67.0513     318.341     47.1772     318.341     
1 1 1 17 5  5  o 225.615 2.12141 272.991      7.3601   282.57       7.37908  245.174     355.383     18.3586     355.383     
1 1 1 17 5  6  o 107.645 2.52658 63.057       4.21604  63.6657      4.14783  96.4416     343.942     27.5959     163.942     
1 1 1 17 5  7  o 80.0911 2.89819 34.5176      3.57832  35.8226      3.54497  107.534     247.76      65.2821     247.76      
1 1 1 17 5  8  o 114.377 2.74602 73.0219      4.69465  70.1738      4.95397  139.933     358.005     46.8551     358.005     
1 1 1 17 5  9  o 90.6188 2.99544 45.2287      4.01625  44.8224      4.31341  69.9675     118.048     44.7556     298.048     
1 1 1 17 5  10 o 87.8005 3.24749 41.6407      4.38623  43.0413      4.36328  78.7463     350.035     20.6381     170.035     
1 1 1 17 5  11 o 101.474 2.99969 55.2616      4.68299  57.6817      4.66886  107.347     83.0117     7.39624     83.0117     
1 1 1 17 5  12 o 40.9277 5.57879 10.2826      3.37922  8.93789      3.39425  22.9644     50.5699     27.9424     230.57      
1 1 1 17 5  13 o 78.4659 3.40663 36.0649      4.10631  31.8228      4.07536  73.8741     294.714     11.0413     114.714     
1 1 1 17 5  14 o 115.435 2.65162 73.7224      4.7321   72.2751      4.68235  99.7254     51.2132     39.0727     231.213     
1 1 1 17 5  15 o 19.5407 5.66621 1.73176      2.97337  -0.285299    2.53251  12.1629     206.711     47.7625     206.711     
1 1 1 17 5  16 o 57.6997 3.57925 17.6211      3.17321  19.3169      3.11343  50.878      335.173     10.5768     155.173     
1 1 1 17 5  17 o 85.828  3.06597 42.4163      4.04488  38.7345      4.02737  56.283      341.102     62.6743     161.102     
1 1 1 17 5  18 f 142.982 2.4865  108.375      5.63311  115.761      5.28936  132.847     339.229     0           0           
1 1 1 17 5  19 o 50.5833 4.38352 14.8493      3.34963  14.0051      3.33432  54.1395     11.1426     16.4253     11.1426     
1 1 1 17 5  20 o 69.7937 3.4125  26.3157      3.55327  27.7254      3.73732  87.2514     261.767     37.9598     261.767     
1 1 1 17 5  21 o 44.2895 4.32334 10.6602      2.90669  11.6133      2.82276  16.9904     135.311     52.4088     315.311     
1 1 1 17 5  22 o 18.1439 5.05229 1.97228      2.168    -0.00998475  2.10233  0.655303    351.5       14.0721     351.5       
1 1 1 17 5  23 o 51.0721 3.46346 15.6239      2.76876  13.6186      2.61071  58.0481     217.638     17.5687     217.638     
1 1 1 17 5  24 o 38.0929 4.30094 8.40352      2.52198  8.29497      2.35196  41.9423     168.403     15.2089     168.403     
1 1 1 17 5  25 o 81.4844 2.59074 37.547       3.25616  35.8957      3.22809  70.4234     186.022     25.838      6.02201     
1 1 1 17 5  26 o 63.2185 2.94212 22.5827      2.84437  21.9729      2.8515   53.8767     319.26      20.6181     139.26      
1 1 1 17 5  27 o 35.2493 4.51021 9.70769      2.31302  5.15552      2.32626  21.373      23.7887     26.1468     203.789     
1 1 1 17 5  28 o 54.1149 3.20131 17.6891      2.65103  15.3244      2.62536  46.6105     109.129     15.6585     289.129     
1 1 1 17 5  29 o 23.411  5.25348 3.61174      2.11672  2.82494      2.15818  17.3948     9.89429     4.16464     189.894     
1 1 1 17 5  30 o 16.6642 5.03671 -1.31268     2.29783  1.32608      2.43598  6.06016     173.042     7.80564     353.042     
1 1 1 17 5  31 o 14.3635 4.61128 -0.408838    2.2073   -1.7607      2.26702  0.387326    169.857     21.5255     169.857     
1 1 1 17 5  32 o 20.6883 5.45    1.47281      2.33454  2.82924      2.36971  6.38575     263.184     3.35055     263.184     
1 1 1 17 5  33 o 25.6278 5.22263 4.38046      2.18202  3.77636      2.17287  15.7931     14.3373     17.0911     194.337     
1 1 1 17 5  34 o 21.3975 5.27175 3.63779      2.20007  1.49893      2.21392  10.0214     101.804     19.7747     281.804     
1 1 1 17 5  35 o 27.5092 5.49272 5.87204      2.33742  3.81318      2.65303  29.713      3.94327     10.0962     3.94327     
1 1 1 17 5  36 o 15.2335 4.71148 -0.875244    2.10633  0.720297     2.15447  6.4331      78.6937     3.4604      258.694     
1 1 1 17 5  37 o 17.973  5.06708 2.09549      2.09951  0.537455     2.21897  11.4435     146.902     0.0134602   146.903     
1 1 1 17 5  38 o 28.2661 5.07712 3.56897      2.28531  6.87741      2.28979  25.2667     276.329     1.55754     96.3287     
1 1 1 17 5  39 o 29.8633 5.25554 6.5265       2.42978  5.37941      2.39735  25.7016     74.9459     4.66186     254.946     
1 1 1 17 5  40 o 17.5963 4.85759 -1.34032     2.18439  3.24656      2.16585  12.048      0.276979    2.69465     180.277     
1 1 1 17 5  41 o 16.0528 5.06459 -1.23293     2.60095  1.18013      2.59837  9.68231     93.5435     5.50333     273.544     
1 1 1 17 5  42 o 20.208  5.97504 6.15535      3.88876  -2.5625      2.88464  9.0518      347.418     18.9585     167.418     
1 1 1 17 5  43 o 15.8823 5.13454 0.235085     2.88396  -0.561422    2.7344   2.77859     106.092     22.3687     286.092     
1 1 1 17 5  44 o 16.7376 5.16284 1.03404      2.38893  0.997456     2.62667  11.6411     300.368     2.21337     300.368     
1 1 1 17 5  45 o 14.0071 4.56057 -0.560004    2.32466  -0.247395    2.22074  8.96579     133.829     0.215044    313.829     
1 1 1 17 5  46 o 23.6207 5.41193 6.3029       2.4169   2.42771      2.50169  21.9375     129.653     0.583896    129.653     
1 1 1 17 5  47 o 15.7578 4.91182 1.14844      2.35656  0.813247     2.28949  12.1251     267.529     4.07211     267.529     
1 1 1 17 5  48 o 18.4956 5.07542 -0.401525    2.3064   4.64768      2.39325  14.8717     37.015      1.65438     217.015     
1 1 1 17 5  49 o 18.8717 5.39255 1.43721      2.70893  3.95821      2.41392  16.5248     164.171     2.07329     164.171     
1 1 1 17 5  50 o 15.5888 4.88001 2.00334      2.36062  0.0753348    2.35296  8.31538     9.74873     0.0597444   189.748     
1 1 1 17 5  51 o 19.1762 5.30767 1.28154      2.49864  4.5908       2.39768  14.1513     235.521     1.44604     235.521     
1 1 1 17 5  52 o 13.485  4.41434 -2.93698     2.28456  1.97396      2.32176  6.12223     95.2552     2.09184     275.255     
1 1 1 17 5  53 o ?       ?       ?            ?        ?            ?        3.41554     0.0734866   0           0           
1 1 1 17 6  0  o 73.7368 3.12865 29.9932      3.52289  29.9932      3.52289  85.5156     90          16.1778     90          
1 1 1 17 6  1  o 139.743 2.3187  108.223      4.99425  105.011      4.98421  141.442     109.945     5.86239     289.945     
1 1 1 17 6  2  f 32.0924 5.7752  5.38342      2.88061  6.45729      2.85368  28.6152     247.034     0           0           
1 1 1 17 6  3  o 269.172 2.15126 386.692      8.63058  404.231      9.2034   264.743     147.599     34.174      327.599     
1 1 1 17 6  4  o 34.3805 6.00572 6.46059      2.82489  7.1663       3.50084  9.10554     193.399     77.9723     193.399     
1 1 1 17 6  5  o 109.423 3.22686 68.4242      4.55052  62.9507      6.10793  87.5999     126.627     49.545      306.627     
1 1 1 17 6  6  f 50.312  4.78558 14.8598      3.64079  13.5404      3.5821   27.3669     188.662     0           0           
1 1 1 17 6  7  o 50.6896 4.69289 13.6312      3.56302  15.1729      3.57828  43.5914     317.319     3.36255     137.319     
1 1 1 17 6  8  o 158.347 2.61854 132.975      6.37882  141.189      6.38704  177.864     327.629     27.4136     327.629     
1 1 1 17 6  9  o 56.6723 4.4281  20.8778      3.82292  15.1538      3.70528  6.63139     71.7268     127.069     71.7268     
1 1 1 17 6  10 o 25.1885 6.29388 1.75878      3.129    4.23155      3.10809  2.83114     112.198     38.5385     112.198     
1 1 1 17 6  11 o 143.608 2.65693 107.813      5.87203  118.002      5.86362  133.825     309.588     30.318      129.588     
1 1 1 17 6  12 o 26.2402 6.37179 4.56428      3.20467  2.42489      3.10687  5.17746     277.546     19.0352     97.546      
1 1 1 17 6  13 o 95.5613 2.61926 54.5031      3.85174  45.7809      3.82227  61.9502     263.884     72.4827     83.8841     
1 1 1 17 6  14 o 91.711  2.65655 41.6147      3.73309  50.8698      3.72412  81.4894     113.697     24.1501     293.697     
1 1 1 17 6  15 o 16.6498 5.14439 -0.1755      2.50788  -0.76037     2.49554  15.9243     341.38      48.6464     341.38      
1 1 1 17 6  16 o 38.6302 5.4791  7.22754      3.17507  10.1094      3.10857  27.7561     131.778     8.65222     311.778     
1 1 1 17 6  17 o 49.7628 4.2545  14.4435      3.27339  13.4019      3.11533  46.3383     84.9669     0.979653    84.9669     
1 1 1 17 6  18 o 131.148 2.59287 89.4461      5.23062  99.51        5.21983  152.923     76.3033     36.5585     76.3033     
1 1 1 17 6  19 o 41.9598 5.06944 8.98474      3.17492  11.3365      3.11111  13.9143     196.718     52.5397     16.7183     
1 1 1 17 6  20 o 57.5606 3.48486 15.7075      3.02892  21.4131      3.02381  37.6392     57.8313     39.2531     237.831     
1 1 1 17 6  21 o 68.2184 2.98323 23.4176      3.02812  28.2085      3.20164  46.8074     8.58927     44.2627     188.589     
1 1 1 17 6  22 o 32.5716 4.8007  6.88993      2.32842  5.52156      2.33256  21.3979     156.595     15.5236     336.595     
1 1 1 17 6  23 o 62.6186 3.17011 24.1834      3.0266   19.6096      3.01911  48.0291     113.123     30.3515     293.123     
1 1 1 17 6  24 o 119.258 2.30377 76.3225      4.23837  80.3237      4.21235  114.186     353.489     16.7307     173.489     
1 1 1 17 6  25 o 44.5413 3.69162 11.5283      2.5108   11.002       2.45716  34.6055     352.904     19.4192     172.904     
1 1 1 17 6  26 o 43.3474 3.88635 8.06642      2.43719  13.797       2.46977  48.3236     2.65873     12.24       2.65873     
1 1 1 17 6  27 o 47.8669 3.56591 13.0438      2.49328  12.9829      2.67953  68.5014     170.515     46.2923     170.515     
1 1 1 17 6  28 f 19.2521 5.07453 2.02886      2.02899  1.51651      2.01145  10.8957     48.6706     0           0           
1 1 1 17 6  29 o 21.848  5.01481 0.780124     2.11722  4.29196      2.10752  10.5696     261.119     17.0411     81.1194     
1 1 1 17 6  30 o 42.1524 3.87438 12.1625      2.43862  8.56451      2.40326  53.154      288.848     25.5324     288.848     
1 1 1 17 6  31 o 55.6123 3.37171 16.1281      2.96289  19.1647      2.70107  61.9683     230.358     12.91       230.358     
1 1 1 17 6  32 o 30.5563 5.39774 4.32562      2.59927  7.40788      2.57087  33.8957     158.858     11.409      158.858     
1 1 1 17 6  33 o 29.8187 5.5869  4.9309       2.51713  6.42143      2.71296  22.6176     237.031     12.3591     57.0307     
1 1 1 17 6  34 o 18.0374 5.01572 2.20093      2.04333  0.334063     2.17978  12.4801     151.629     3.87633     331.629     
1 1 1 17 6  35 o 22.7857 5.39202 4.33419      2.17392  1.66496      2.59079  10.9454     58.6904     20.0798     238.69      
1 1 1 17 6  36 o 25.554  5.49408 3.97915      2.33924  4.55786      2.37445  20.8216     324.69      4.60123     144.69      
1 1 1 17 6  37 o 15.324  4.71422 0.968823     2.13403  -1.01564     2.12428  6.34668     289.942     3.75008     109.942     
1 1 1 17 6  38 o 23.437  5.56311 2.65879      2.4814   4.43619      2.36895  22.4522     141.403     9.55076     141.403     
1 1 1 17 6  39 o 25.0682 5.68748 2.79587      2.92384  5.55841      2.39772  17.8803     16.6523     10.0832     196.652     
1 1 1 17 6  40 o 19.215  5.24944 2.15473      2.21628  2.20176      2.19257  15.7764     10.1961     1.80554     10.1961     
1 1 1 17 6  41 o 22.1934 5.83094 0.181541     3.01477  5.80277      2.97195  18.3023     177.685     2.94293     357.685     
1 1 1 17 6  42 o 25.7683 6.24837 3.86769      2.89584  6.67945      3.18704  12.0902     288.557     24.5718     108.557     
1 1 1 17 6  43 o 28.7308 5.46712 4.52077      2.72998  7.7055       2.44798  23.4306     131.145     7.14364     311.145     
1 1 1 17 6  44 o 13.1589 4.42144 -0.737045    2.50641  -2.56301     2.36988  6.27976     221.295     3.13229     41.2951     
1 1 1 17 6  45 o 16.2333 4.90292 2.70275      2.26227  -2.02628     2.63954  13.8452     20.5696     5.05494     20.5696     
1 1 1 17 6  46 o 18.7562 5.35729 2.32405      2.31634  2.73868      2.4652   17.2092     135.107     3.14029     135.107     
1 1 1 17 6  47 o 14.5508 4.73146 -0.71481     2.24183  0.851787     2.60489  9.60504     155.911     1.55183     155.911     
1 1 1 17 6  48 o 20.0176 5.22836 5.326        2.36927  0.170719     2.67826  19.0277     82.3125     4.68593     82.3125     
1 1 1 17 6  49 o 16.3852 5.03139 2.0215       2.33176  1.07849      2.41813  11.7233     92.0404     0.997088    272.04      
1 1 1 17 6  50 f 15.4538 4.7931  -1.07756     2.33365  2.57314      2.31489  4.49038     19.7689     0           0           
1 1 1 17 6  51 f 13.834  4.50465 -1.98473     2.26728  1.57274      2.32766  2.2958      217.073     0           0           
1 1 1 17 6  52 o 13.8709 4.55044 1.7681       2.38121  -1.74953     2.45106  6.03726     223.65      0.921724    223.65      
1 1 1 17 6  53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 7  0  o 208.66  2.71805 237.764      8.72676  237.764      8.72676  210.29      270         17.1339     90          
1 1 1 17 7  1  o 70.7573 3.93644 22.0056      4.01509  33.953       4.40982  33.7679     255.261     74.4576     75.2607     
1 1 1 17 7  2  o 60.8184 4.35686 20.4017      3.88545  20.7013      4.15925  55.3914     244.108     4.92592     64.1082     
1 1 1 17 7  3  o 179.798 2.57245 184.438      7.14746  169.038      7.08936  182.319     125.929     9.00315     305.929     
1 1 1 17 7  4  o 164.935 2.60812 149.089      6.63179  148.271      6.61648  194.049     348.241     46.6236     348.241     
1 1 1 17 7  5  o 229.944 2.4747  289.036      8.77056  288.762      8.75469  250.784     82.2808     22.2703     82.2808     
1 1 1 17 7  6  o 109.121 2.9951  68.2441      5.03923  62.3724      5.001    93.2183     336.339     37.6224     156.339     
1 1 1 17 7  7  o 97.8624 3.2339  53.0449      4.76721  52.1442      4.94894  78.5307     299.41      43.1969     119.41      
1 1 1 17 7  8  o 50.3444 5.11428 18.0397      3.67836  10.9889      3.79445  23.627      110.045     50.3489     290.045     
1 1 1 17 7  9  o 21.6097 6.28912 -0.810415    3.14046  2.31659      3.72388  0.165916    236.413     4.09087     236.413     
1 1 1 17 7  10 o 140.508 2.45292 109.645      5.30873  106.317      5.30077  118.228     21.6113     54.6003     201.611     
1 1 1 17 7  11 o 26.3484 5.30114 0.300982     2.60464  6.80458      2.64512  6.05908     55.1289     14.3455     235.129     
1 1 1 17 7  12 o 109.287 2.47601 65.6194      4.17845  65.1896      4.14453  101.633     56.8483     20.9872     236.848     
1 1 1 17 7  13 o 41.2544 4.52648 10.689       2.78071  8.63346      2.76173  36.0797     77.2624     5.186       77.2624     
1 1 1 17 7  14 o 133.498 2.47037 97.847       5.11605  97.4053      5.03184  149.83      351.922     25.2282     351.922     
1 1 1 17 7  15 o 157.188 2.93535 131.441      7.52039  140.008      6.61628  181.133     30.3006     38.2284     30.3006     
1 1 1 17 7  16 o 75.8014 3.45677 32.9996      4.05682  30.6219      3.96846  49.8279     54.9619     53.2849     234.962     
1 1 1 17 7  17 o 73.1861 3.23185 26.8561      3.61265  32.5092      3.60787  68.7859     331.799     8.62065     151.799     
1 1 1 17 7  18 f 109.268 2.55722 61.402       4.2919   69.9187      4.2875   79.1985     331.965     0           0           
1 1 1 17 7  19 o 88.7683 2.75007 41.5117      3.74849  45.351       3.74568  91.9565     314.4       4.01655     314.4       
1 1 1 17 7  20 o 53.3127 3.6977  14.4702      2.89471  17.4483      3.09245  59.4201     119.337     16.6724     119.337     
1 1 1 17 7  21 o 30.3281 5.01877 3.53094      2.26769  7.43563      2.44633  18.8526     25.3323     14.5859     205.332     
1 1 1 17 7  22 o 47.0404 3.57532 13.6114      2.53112  11.3469      2.54501  60.5438     44.8987     34.3301     44.8987     
1 1 1 17 7  23 o 15.9313 4.71959 1.0903       2.00213  -0.707591    1.99396  9.02343     241.15      43.2209     241.15      
1 1 1 17 7  24 o 61.7636 2.97444 21.5011      2.81874  21.0267      2.80528  58.0322     11.2606     8.67738     191.261     
1 1 1 17 7  25 o 48.2844 3.48098 13.0396      2.56544  13.326       2.53786  44.1315     129.117     7.79473     309.117     
1 1 1 17 7  26 o 125.218 2.2508  88.8217      4.36516  84.2149      4.3101   130.393     250.004     4.59087     250.004     
1 1 1 17 7  27 o 16.33   4.76379 -0.223057    1.97025  1.2657       1.98471  0.0459665   93.0734     25.7102     93.0734     
1 1 1 17 7  28 o 17.9097 5.07891 1.59942      2.03811  0.452105     2.29382  6.20065     273.024     14.6496     93.0236     
1 1 1 17 7  29 o 35.5193 4.75107 7.44116      2.30526  7.68435      2.69517  33.59       93.5344     0.70763     273.534     
1 1 1 17 7  30 o 45.6679 3.67732 11.5509      2.48981  12.4794      2.59008  51.8855     273.801     14.2578     273.801     
1 1 1 17 7  31 o 26.0605 5.15475 5.14862      2.18108  3.2151       2.19724  27.195      121.966     9.42699     121.966     
1 1 1 17 7  32 f 18.8888 4.88413 -0.340808    2.0495   3.25714      2.05734  16.5786     187.649     0           0           
1 1 1 17 7  33 o 16.3836 5.03776 -0.0268136   2.34251  0.293638     2.40038  5.8805      186.8       1.87709     186.8       
1 1 1 17 7  34 o 61.6627 3.39518 19.2452      3.16299  24.8926      3.18885  69.053      112.777     15.0367     112.777     
1 1 1 17 7  35 o 27.2821 5.71457 4.9371       2.5864   4.91068      2.55591  26.8222     149.672     5.02579     149.672     
1 1 1 17 7  36 o 25.3968 5.61182 4.19153      2.66428  4.26584      2.22881  15.633      151.671     15.5153     331.671     
1 1 1 17 7  37 o 16.5028 4.91427 0.0943842    2.10179  1.30945      2.18983  8.43007     137.469     4.38259     317.469     
1 1 1 17 7  38 o 19.1796 5.39842 2.11811      2.38933  1.64778      2.40029  9.31441     85.6937     14.1936     265.694     
1 1 1 17 7  39 o 14.9353 4.72656 0.741599     2.26435  -1.48682     2.31637  6.63163     172.075     7.91199     352.075     
1 1 1 17 7  40 o 19.2016 5.41792 3.2415       2.51586  0.653291     2.49205  14.7728     329.566     2.42795     149.566     
1 1 1 17 7  41 o 22.6227 5.8254  4.16453      2.6011   3.27629      2.69363  21.7944     38.3888     3.72885     38.3888     
1 1 1 17 7  42 o 17.5082 5.17548 0.855813     2.46521  1.99117      2.26397  9.46583     358.299     11.2975     178.299     
1 1 1 17 7  43 o 16.6225 5.09829 0.876614     2.5123   1.16071      2.32693  5.55368     270.104     2.39218     270.104     
1 1 1 17 7  44 o 16.5994 5.22868 0.524611     2.51114  1.20916      2.87864  12.3062     295.448     4.82821     295.448     
1 1 1 17 7  45 o 31.8309 5.39816 9.00516      2.53676  6.55339      2.762    30.2213     53.1571     0.0581589   233.156     
1 1 1 17 7  46 o 14.5286 4.66531 0.489688     2.26113  -0.106645    2.28812  8.69872     72.2351     5.76766     252.235     
1 1 1 17 7  47 o 14.3706 4.63955 -0.225889    2.28597  0.522941     2.29186  9.32015     50.5414     1.2557      50.5414     
1 1 1 17 7  48 o 15.5587 4.87988 0.391462     2.33625  1.65133      2.35222  11.6056     149.767     1.81441     149.767     
1 1 1 17 7  49 o 12.7651 4.30867 -0.718189    2.24689  -1.7513      2.51846  2.12288     196.819     0.742809    16.8188     
1 1 1 17 7  50 o 16.6637 5.0861  2.85447      2.4205   0.429925     2.50063  7.68817     64.9301     0.323751    64.9302     
1 1 1 17 7  51 o 18.4314 5.3888  3.90581      2.42252  2.10082      2.74892  13.6305     136.826     5.08912     136.826     
1 1 1 17 7  52 o 15.3166 4.87957 2.33567      2.3599   0.0829313    2.6764   3.51169     346.359     1.85369     346.359     
1 1 1 17 7  53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 8  0  o 13.532  6.26235 -0.395443    3.2314   -0.395443    3.2314   9.21568     89.9999     23.2623     89.9999     
1 1 1 17 8  1  o 122.182 2.8608  79.2678      5.37224  84.3353      5.37401  130.798     314.99      10.8927     314.99      
1 1 1 17 8  2  o 132.621 2.79571 98.493       5.73992  94.1612      5.66545  152.996     300.007     33.4415     300.007     
1 1 1 17 8  3  o 40.3874 6.07788 7.23452      3.82447  11.7063      3.52335  3.5068      52.5505     68.9779     232.551     
1 1 1 17 8  4  o 71.0761 3.85359 30.9335      4.37779  25.0779      3.98948  78.1228     249.424     16.7532     249.424     
1 1 1 17 8  5  o 79.0292 3.49504 32.8144      4.22353  36.0444      4.23344  66.4876     135.196     26.4983     315.196     
1 1 1 17 8  6  o 56.1243 4.3673  17.8217      3.73386  17.3267      3.69029  59.3706     89.1142     45.6282     89.1142     
1 1 1 17 8  7  o 104.138 2.73022 59.9974      4.35516  58.8706      4.38544  92.105      123.211     29.1366     303.211     
1 1 1 17 8  8  o 90.1897 2.91078 46.3137      4.07294  43.0179      3.98932  92.7999     195.995     2.92844     195.995     
1 1 1 17 8  9  o 69.935  3.29061 30.2461      3.33244  23.8668      3.62925  71.0582     43.7564     3.79626     43.7563     
1 1 1 17 8  10 o 56.3578 3.55749 17.0391      3.09693  18.1727      3.00592  46.8771     79.3071     15.4281     259.307     
1 1 1 17 8  11 o 50.3981 4.07331 16.124       3.09328  12.3911      3.06713  56.5569     232.106     30.7259     232.105     
1 1 1 17 8  12 f 103.286 2.93179 57.0705      4.70183  60.1888      4.59918  133.787     105.04      0           0           
1 1 1 17 8  13 o 56.0219 4.01428 19.4816      3.3261   15.6569      3.44833  17.1738     261.725     76.65       81.725      
1 1 1 17 8  14 o 20.3693 5.46189 -1.06093     2.61578  3.26096      2.56989  0.630847    107.892     4.90832     107.892     
1 1 1 17 8  15 o 28.1444 6.42678 5.50809      3.52211  3.4164       2.85154  6.90015     42.0905     4.45738     222.091     
1 1 1 17 8  16 f 83.1753 3.05967 36.5683      3.90355  39.8227      3.9014   100.319     279.812     0           0           
1 1 1 17 8  17 o 35.982  4.96366 7.54867      2.64192  7.44408      2.66098  29.6478     306.925     4.89021     306.925     
1 1 1 17 8  18 o 46.702  3.84639 10.7133      2.63175  13.9266      2.77174  52.8543     341.782     22.1677     341.782     
1 1 1 17 8  19 o 68.6726 3.09174 23.9468      3.26202  28.4365      3.21886  61.0576     293.52      15.607      113.52      
1 1 1 17 8  20 f 35.7992 4.8323  8.49944      2.55038  6.47553      2.57158  6.60304     215.792     0           0           
1 1 1 17 8  21 o 16.0798 4.81659 -0.449553    2.13902  0.710985     2.03676  0.0412203   181.771     10.5828     181.771     
1 1 1 17 8  22 o 35.3562 4.48803 9.19694      2.32499  5.53291      2.32674  34.3319     131.053     25.4681     131.053     
1 1 1 17 8  23 o 48.21   3.48026 14.1199      2.54698  12.1457      2.53508  56.1424     204.033     17.7864     204.033     
1 1 1 17 8  24 o 27.3261 5.22538 5.06262      2.32209  3.90904      2.19635  3.67002     234.808     44.7875     54.8084     
1 1 1 17 8  25 o 16.4861 4.94441 0.505943     1.99949  0.0546335    2.37098  4.5128      55.0282     9.6314      235.028     
1 1 1 17 8  26 o 67.3121 2.99043 24.6066      2.93219  26.1543      3.23513  86.4327     315.663     38.2609     315.663     
1 1 1 17 8  27 f 20.545  5.46419 1.04304      2.33073  2.90317      2.45606  32.7979     355.952     0           0           
1 1 1 17 8  28 o 19.9505 5.13992 1.40645      2.06828  2.62382      2.08072  11.6181     301.915     1.39838     301.915     
1 1 1 17 8  29 o 39.6995 4.05958 8.27316      2.40637  10.1961      2.38509  31.5969     159.295     14.5602     339.295     
1 1 1 17 8  30 o 43.8267 3.72669 11.8948      2.49137  10.3612      2.43071  36.7157     94.2987     13.3201     274.299     
1 1 1 17 8  31 o 50.634  3.4768  15.3062      2.60443  14.187       2.73655  67.5282     287.323     35.279      287.323     
1 1 1 17 8  32 o 21.1035 5.21963 1.68633      2.15173  3.33702      2.12666  14.8542     203.076     8.10549     23.0763     
1 1 1 17 8  33 o 48.5018 4.25642 10.4901      3.08424  18.0373      2.77689  48.9823     201.599     2.1043      201.599     
1 1 1 17 8  34 o 58.1635 3.1715  16.8939      2.76346  22.2593      2.83631  52.4988     280.141     10.7606     100.141     
1 1 1 17 8  35 o 40.4828 4.71762 11.1033      2.78738  9.3004       2.86434  37.3271     268.75      3.91905     88.75       
1 1 1 17 8  36 o 22.5806 5.70516 3.07343      2.47691  3.30228      2.54016  17.7685     341.611     9.32691     341.611     
1 1 1 17 8  37 o 13.3498 4.34189 -0.775384    2.0476   -1.15602     2.05619  2.78878     329.05      11.3669     149.05      
1 1 1 17 8  38 o 19.9811 5.52684 3.59522      2.53759  0.315544     2.72746  14.5619     262.553     3.56937     82.5527     
1 1 1 17 8  39 o 13.6039 4.53087 -1.74123     2.48542  -1.48069     2.42079  5.17967     332.731     8.20917     152.731     
1 1 1 17 8  40 o 15.6468 4.86849 -0.852073    2.50438  1.17953      2.18653  8.66188     283.564     8.24599     103.564     
1 1 1 17 8  41 o 15.5948 4.96938 -1.65107     2.76131  1.06088      2.45909  6.09249     156.873     2.62871     156.873     
1 1 1 17 8  42 o 20.696  5.46611 4.2373       2.44661  1.60712      2.43738  12.1838     61.4772     8.15269     61.4772     
1 1 1 17 8  43 o 17.4144 5.18941 1.65894      2.39805  1.51666      2.35216  7.15794     119.924     16.1465     299.924     
1 1 1 17 8  44 o 21.257  5.44709 1.31172      2.52564  5.29361      2.49852  22.8499     237.897     10.1926     237.897     
1 1 1 17 8  45 o 15.9799 4.95599 -0.0805477   2.27593  1.99224      2.45938  13.1555     330.76      4.23049     330.76      
1 1 1 17 8  46 o 27.0576 5.60721 5.48484      2.4568   6.66228      2.5351   25.7454     212.687     1.91607     212.687     
1 1 1 17 8  47 o 14.2532 4.60139 1.19133      2.29127  -1.17563     2.30131  6.7957      312.302     2.23926     312.302     
1 1 1 17 8  48 o 15.3828 4.74767 2.89604      2.34477  -1.93497     2.30367  10.1692     137.957     1.82107     317.957     
1 1 1 17 8  49 o 14.4127 4.68775 0.228656     2.31653  0.256471     2.46353  5.51072     102.489     3.24631     282.489     
1 1 1 17 8  50 o 23.4414 5.66074 6.87001      2.5543   3.28944      2.83008  22.6954     190.915     9.12746     190.915     
1 1 1 17 8  51 o 19.6701 5.27255 6.00615      2.49491  0.879965     2.53315  17.0461     44.3101     9.42241     44.3101     
1 1 1 17 8  52 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 9  0  o 23.1368 7.65316 4.33916      3.04644  4.33916      3.04644  0.669958    270         23.4219     90          
1 1 1 17 9  1  o 87.1685 3.04678 37.2533      4.04129  46.4898      4.07736  108.263     56.2082     42.6159     56.2082     
1 1 1 17 9  2  o 155.068 2.43529 129.312      5.80405  133.666      5.82547  147.122     315.822     25.8423     135.822     
1 1 1 17 9  3  o 162.08  2.40471 149.364      6.00309  138.008      5.9938   159.65      99.1104     15.3678     279.11      
1 1 1 17 9  4  o 129.779 2.44653 95.278       5.05789  89.1171      4.71327  113.749     216.861     39.452      36.8607     
1 1 1 17 9  5  o 32.135  5.64814 6.77822      2.7851   5.1897       2.80506  7.2473      260.397     72.8443     260.397     
1 1 1 17 9  6  o 99.1064 2.88244 50.583       4.70371  57.345       3.98411  123.547     6.75277     47.4837     6.75278     
1 1 1 17 9  7  o 36.8714 5.65903 4.50271      3.30428  11.4959      3.09347  21.5855     109.842     18.9147     289.842     
1 1 1 17 9  8  o 39.9719 5.22675 7.9605       2.97327  10.4454      3.22314  21.7891     206.736     28.315      26.7365     
1 1 1 17 9  9  f 62.5195 3.4703  21.217       3.32876  22.0558      3.29782  78.7141     104.268     0           0           
1 1 1 17 9  10 o 32.0792 5.66646 6.30299      2.80405  5.6778       2.7809   1.11076     91.7001     58.8312     91.7001     
1 1 1 17 9  11 o 145.205 2.39756 115.361      5.37569  115.511      5.34614  158.047     148.101     18.3439     148.101     
1 1 1 17 9  12 o 39.3794 5.08245 7.91747      2.99145  9.96422      2.92678  27.1931     72.2066     12.762      252.207     
1 1 1 17 9  13 o 130.049 2.60515 93.9283      5.24423  91.7557      5.17945  144.702     171.562     23.7986     171.562     
1 1 1 17 9  14 o 51.306  4.03638 14.5093      3.25073  15.0374      3.00648  58.0975     19.9513     24.4806     19.9513     
1 1 1 17 9  15 o 113.294 2.96497 68.8363      5.28128  72.6644      5.03311  122.846     214.373     15.1299     214.373     
1 1 1 17 9  16 o 93.3827 3.23239 48.3039      4.1372   48.1912      5.07744  116.326     317.815     45.001      317.815     
1 1 1 17 9  17 o 16.8241 4.82866 2.16785      2.14147  -3.61541     2.50822  6.8004      260.951     31.4594     260.951     
1 1 1 17 9  18 o 64.6435 3.10837 24.8087      3.17042  21.6449      2.98023  37.4994     169.491     54.9901     349.491     
1 1 1 17 9  19 o 24.741  5.21225 0.90702      2.37541  5.67364      2.39229  9.63414     320.96      20.6488     140.96      
1 1 1 17 9  20 o 27.4002 5.11205 1.57438      2.44013  7.0675       2.41804  1.06899     96.4421     48.9979     276.442     
1 1 1 17 9  21 o 38.7651 4.17026 9.24275      2.40474  8.06522      2.40759  13.9042     265.653     48.5965     85.6528     
1 1 1 17 9  22 o 30.1864 5.2962  5.10836      2.24954  5.84475      2.65265  13.8927     242.696     29.5793     62.6956     
1 1 1 17 9  23 o 78.9936 2.73387 36.0377      3.24492  33.3223      3.37488  71.3865     107.302     17.2994     287.302     
1 1 1 17 9  24 o 16.5312 4.87603 0.677407     2.02558  0.340694     2.10855  0.121238    45.682      25.3386     225.682     
1 1 1 17 9  25 o 106.07  2.47152 64.5374      4.19408  60.242       3.86958  120.009     146.856     24.8015     146.856     
1 1 1 17 9  26 o 57.0314 3.30174 17.1611      2.69241  19.7001      3.05945  65.304      104.046     17.4369     104.046     
1 1 1 17 9  27 o 16.1968 4.74329 -0.640013    1.99453  1.44832      2.01077  5.03286     207.321     10.5786     27.3211     
1 1 1 17 9  28 o 27.2847 4.93244 6.33053      2.19798  2.80879      2.13706  26.1101     315.209     16.9174     315.209     
1 1 1 17 9  29 o 34.6547 4.75152 7.52788      2.58207  6.99775      2.30593  39.1336     169.167     13.1203     169.167     
1 1 1 17 9  30 o 17.7537 5.16441 0.35544      2.55239  1.37748      2.05957  11.0927     186.842     6.01541     6.8424      
1 1 1 17 9  31 o 56.9281 3.1841  18.2389      2.70255  18.8044      2.83441  54.7535     275.883     4.21998     95.8833     
1 1 1 17 9  32 o 19.6648 4.96702 3.57474      2.08321  0.116811     2.09955  10.8375     169.507     12.8937     349.507     
1 1 1 17 9  33 o 29.8963 5.0049  6.6549       2.30126  4.74912      2.26352  18.2198     345.729     20.5743     165.729     
1 1 1 17 9  34 o 39.446  4.20982 8.43599      2.45376  10.4986      2.47662  38.4636     137.242     0.745997    137.243     
1 1 1 17 9  35 o 29.4487 4.93645 8.0427       2.32032  3.25629      2.30582  25.8792     209.991     2.79407     29.991      
1 1 1 17 9  36 o 25.5941 5.73425 5.71142      2.61566  3.07389      2.62224  16.3654     116.977     14.0485     296.977     
1 1 1 17 9  37 o 27.6349 6.37625 3.28871      3.222    7.7914       3.36066  18.1312     211.213     14.9249     31.2132     
1 1 1 17 9  38 f 29.7585 6.20869 7.25729      2.80076  5.89179      3.4277   29.8608     180.461     0           0           
1 1 1 17 9  39 o 27.8175 5.43033 5.48215      2.35758  5.54797      2.44776  28.271      301.424     5.44595     301.424     
1 1 1 17 9  40 o 27.3314 5.95458 7.26576      2.85343  4.18571      2.84874  27.8401     142.482     5.69664     142.482     
1 1 1 17 9  41 o 16.9587 5.21216 -1.00448     2.46693  2.53121      2.76881  10.1813     262.067     7.43934     82.067      
1 1 1 17 9  42 o 17.762  5.26568 1.36598      2.47643  2.02012      2.39363  8.03332     331.396     4.26491     331.396     
1 1 1 17 9  43 o 27.4595 5.5673  4.91085      2.58198  6.89648      2.47177  31.9876     349.4       14.7456     349.4       
1 1 1 17 9  44 f 22.1233 5.50255 1.70628      2.50748  5.90805      2.57033  24.6791     342.448     0           0           
1 1 1 17 9  45 o 14.7071 4.7455  -1.10567     2.38215  1.18212      2.45966  8.74226     325.843     5.78996     145.843     
1 1 1 17 9  46 o 14.806  4.73181 0.512507     2.29861  0.435599     2.30589  7.265       63.1903     9.62424     243.19      
1 1 1 17 9  47 o 14.8089 4.66681 2.28975      2.30219  -1.99342     2.33329  10.2576     171.334     0.391866    171.334     
1 1 1 17 9  48 o 13.3255 4.40264 0.551786     2.28292  -1.64858     2.25088  0.598745    147.416     0.109543    327.416     
1 1 1 17 9  49 o 20.7782 5.53481 5.13594      2.50297  2.53847      2.52135  14.6161     196.662     6.85909     196.662     
1 1 1 17 9  50 o 12.4608 4.26003 -2.4004      2.29051  -0.280212    2.62253  1.53258     195.972     0.623668    15.9722     
1 1 1 17 9  51 o 15.1235 4.76196 -1.05281     2.34909  3.03505      2.39895  5.69805     75.2456     2.88244     75.2456     
1 1 1 17 10 0  o 63.3294 3.64055 22.3836      3.49454  22.3836      3.49454  66.2733     90          1.26741     90          
1 1 1 17 10 1  o 149.754 2.27107 124.551      5.24994  120.724      5.22383  179.289     352.067     51.9246     352.067     
1 1 1 17 10 2  o 110.824 2.51364 59.7861      4.25629  75.247       4.2701   107.712     125.177     10.1462     305.177     
1 1 1 17 10 3  o 24.8517 5.90134 2.38434      2.71925  4.06326      2.68818  9.31421     290.976     57.1954     290.976     
1 1 1 17 10 4  o 56.0523 3.7103  16.8814      3.10056  18.0448      3.23034  58.8208     143.32      13.0908     143.32      
1 1 1 17 10 5  o 156.148 2.38465 138.44       5.77451  128.501      5.69011  151.42      92.2518     17.7905     272.252     
1 1 1 17 10 6  o 22.7005 5.8576  1.28133      2.72943  3.30173      2.70866  18.0035     263.317     71.399      263.317     
1 1 1 17 10 7  o 107.538 2.62334 62.1745      4.36113  64.7368      4.31165  120.339     46.6186     23.1776     46.6186     
1 1 1 17 10 8  o 26.882  5.67709 6.20767      2.75575  1.65814      2.70165  14.3066     69.4811     74.3833     69.4811     
1 1 1 17 10 9  f 32.7795 5.50146 8.89313      2.91389  3.80397      2.73664  36.7472     240.719     0           0           
1 1 1 17 10 10 o 114.867 2.84651 80.3906      5.34984  65.1239      4.70978  113.537     70.897      6.44442     250.897     
1 1 1 17 10 11 o 32.8988 5.64521 8.46002      3.05153  4.3724       2.71921  14.2932     206.313     25.753      26.313      
1 1 1 17 10 12 o 47.6187 4.17067 12.2873      3.06483  13.2842      2.90537  30.7774     312.205     29.1932     132.205     
1 1 1 17 10 13 o 77.2271 3.21946 36.1775      4.18223  29.9801      3.44923  66.6939     341.504     21.3312     161.504     
1 1 1 17 10 14 o 18.1547 5.27466 -0.422079    2.33646  1.57088      2.4907   3.53635     293.515     22.5735     293.515     
1 1 1 17 10 15 o 146.121 2.71955 108.039      6.36208  127.417      5.77115  160.585     79.1        22.6445     79.1        
1 1 1 17 10 16 o 20.3006 5.2775  3.36898      2.35363  -0.420921    2.38821  0.995951    352.761     2.12213     172.761     
1 1 1 17 10 17 o 50.0536 3.51331 12.4312      2.6447   15.7707      2.66736  47.4656     91.8887     2.1538      271.889     
1 1 1 17 10 18 o 130.244 2.47294 88.0319      4.91084  99.0535      4.99089  132.283     322.184     1.13375     142.184     
1 1 1 17 10 19 o 52.2448 4.06704 13.6651      2.88318  17.4904      3.56399  64.5142     122.434     27.8935     122.434     
1 1 1 17 10 20 o 26.8079 5.36896 6.13901      2.35494  2.01712      2.67939  17.5074     312.871     13.0105     132.871     
1 1 1 17 10 21 o 48.9477 3.65936 13.054       2.601    14.1327      2.83294  64.9067     234.441     35.8371     234.441     
1 1 1 17 10 22 o 26.6492 5.19313 4.46081      2.21508  4.06087      2.18592  21.656      284.076     2.84        104.076     
1 1 1 17 10 23 o 67.4595 2.87893 24.2439      3.00213  26.6042      2.94253  86.1001     232.289     37.8495     232.289     
1 1 1 17 10 24 o 32.5496 4.73214 6.86084      2.3263   5.81559      2.2603   37.4898     205.372     18.4325     205.372     
1 1 1 17 10 25 o 30.5763 4.80925 6.65703      2.21848  4.67057      2.21172  25.2974     217.221     6.15476     37.2208     
1 1 1 17 10 26 o 15.6958 4.84338 0.172314     2.41401  -0.336645    1.98491  3.87576     38.0978     3.94919     218.098     
1 1 1 17 10 27 o 27.4857 5.38902 4.0981       2.59271  5.18012      2.1883   26.3511     131.975     4.73624     131.975     
1 1 1 17 10 28 o 27.7394 5.08138 5.62778      2.20661  3.88128      2.2153   11.4467     353.526     30.0288     173.525     
1 1 1 17 10 29 o 35.8904 4.47291 9.49904      2.38883  6.13262      2.33144  26.4025     180.186     17.3145     0.185717    
1 1 1 17 10 30 o 19.0397 5.06132 0.862932     2.07677  2.60759      2.06278  16.058      29.9234     4.2759      29.9234     
1 1 1 17 10 31 f 21.3851 5.25804 3.44888      2.15613  1.86689      2.16987  36.9002     312.089     0           0           
1 1 1 17 10 32 o 24.8966 5.31282 4.21754      2.22005  3.73759      2.19817  12.19       42.1404     21.8305     222.14      
1 1 1 17 10 33 o 24.4785 5.19818 2.32263      2.19789  5.30767      2.24508  24.3939     258.785     9.37234     258.785     
1 1 1 17 10 34 o 54.1903 3.32424 17.9982      2.75507  16.2166      2.73228  62.4637     146.791     18.9565     146.791     
1 1 1 17 10 35 o 24.9792 5.39634 3.394        2.26974  4.87424      2.31413  6.90104     241.902     32.8203     61.9024     
1 1 1 17 10 36 o 18.6038 5.30641 2.59067      2.40597  0.503469     2.40511  13.1061     79.7004     0.631487    259.7       
1 1 1 17 10 37 o 25.6447 5.97338 5.83966      2.86838  3.71468      2.66938  24.1776     285.931     3.20791     285.931     
1 1 1 17 10 38 o 16.2098 5.05819 0.786632     2.47635  0.0337785    2.47581  9.77348     72.3803     2.76899     72.3803     
1 1 1 17 10 39 o 19.0258 5.63362 3.63971      3.0385   -0.217014    2.71722  12.6237     185.652     7.9888      5.65196     
1 1 1 17 10 40 o 17.9859 5.46453 1.36423      2.74756  1.53055      2.70168  12.4731     235.736     4.59575     55.7358     
1 1 1 17 10 41 o 44.7803 4.30694 13.6548      2.80664  12.7073      2.95972  46.8288     186.463     7.5565      186.463     
1 1 1 17 10 42 o 16.753  4.9441  -1.9783      2.42625  3.26222      2.38214  13.1304     358.406     0.299755    358.406     
1 1 1 17 10 43 o 15.7292 4.97865 1.0054       2.43792  0.217199     2.54432  12.577      289.008     0.6542      289.008     
1 1 1 17 10 44 o 21.5125 5.45762 5.84419      2.55571  1.21828      2.58726  19.7964     48.5193     2.05375     48.5192     
1 1 1 17 10 45 o 15.2014 4.82177 0.866461     2.26276  0.441942     2.42953  5.60225     329.73      2.60854     329.73      
1 1 1 17 10 46 o 12.9517 4.32029 -1.37214     2.27686  -0.302964    2.23291  6.02093     230.457     0.257273    230.457     
1 1 1 17 10 47 o 16.1732 5.01518 1.92932      2.42179  0.960483     2.38191  8.53344     195.731     8.40811     15.7306     
1 1 1 17 10 48 o 15.424  4.8688  1.08027      2.34384  0.982608     2.36679  4.84715     325.732     0.657249    145.732     
1 1 1 17 10 49 o 13.3737 4.44528 -0.624561    2.34146  -0.0547925   2.34206  2.28855     76.9531     0.709655    256.953     
1 1 1 17 10 50 o 13.7798 4.54827 -0.353067    2.36005  0.863334     2.40965  2.94692     304.112     0.795474    304.112     
1 1 1 17 10 51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 11 0  o 75.3068 3.29744 31.3961      3.78987  31.3961      3.78987  112.377     90          69.7286     90          
1 1 1 17 11 1  o 69.0968 3.47052 22.7064      3.62973  30.45        3.64392  61.7436     105.757     12.1044     285.757     
1 1 1 17 11 2  o 69.4631 3.4651  25.2188      3.68626  28.2613      3.66788  57.7994     157.875     21.2045     337.875     
1 1 1 17 11 3  o 119.19  2.69429 76.8168      4.92895  79.1956      4.94786  142.504     62.5001     44.16       62.5001     
1 1 1 17 11 4  o 109.65  2.77446 70.3583      4.69639  61.9168      4.64613  140.714     53.9652     61.4646     53.9652     
1 1 1 17 11 5  o 72.9893 3.33118 28.7311      3.72834  30.214       3.7176   60.2715     28.7103     24.1776     208.71      
1 1 1 17 11 6  o 95.9105 2.88181 48.0745      4.25074  53.2501      4.23249  96.8016     49.5607     0.781765    49.5612     
1 1 1 17 11 7  o 60.0717 3.66534 21.1353      3.37289  19.0663      3.33617  31.7597     11.4985     54.8817     191.498     
1 1 1 17 11 8  o 30.8837 5.27256 1.73215      2.82722  9.23671      2.71062  9.84578     75.8307     1.06174     75.8307     
1 1 1 17 11 9  o 74.7963 3.03784 29.7995      3.47361  32.0186      3.49184  76.1782     38.702      4.2951      38.7019     
1 1 1 17 11 10 o 65.066  3.29649 29.1144      3.25234  18.445       3.18426  66.8333     96.5683     6.59571     96.5683     
1 1 1 17 11 11 o 98.915  2.83091 49.4154      4.27908  58.623       4.30464  79.0735     129.735     42.1546     309.735     
1 1 1 17 11 12 o 35.0776 5.03485 8.66113      2.63551  5.77248      2.61781  20.8061     77.4292     20.8387     257.429     
1 1 1 17 11 13 o 44.9819 4.14304 10.0715      2.78941  12.9637      2.76545  46.0347     0.476855    9.40133     0.476855    
1 1 1 17 11 14 o 69.888  3.2231  27.59        3.36525  26.7015      3.52836  75.0787     259.608     11.5622     259.608     
1 1 1 17 11 15 o 37.0099 5.96662 8.66768      3.60314  7.73502      3.04823  28.3096     145.38      19.4476     145.38      
1 1 1 17 11 16 o 41.719  4.59792 10.0616      2.83809  10.0408      2.87683  27.7287     112.465     25.0528     292.465     
1 1 1 17 11 17 o 37.1764 4.55571 10.1702      2.56655  6.12157      2.41222  43.9863     37.1051     24.7576     37.1051     
1 1 1 17 11 18 o 21.0033 5.03957 4.37036      2.32737  -0.610363    2.16074  10.6299     124.54      11.4464     304.54      
1 1 1 17 11 19 o 65.7695 3.14146 22.3744      3.15159  26.0707      3.15924  75.8505     77.0479     20.5494     77.0479     
1 1 1 17 11 20 o 40.1261 4.33194 7.4229       2.46927  11.476       2.65749  47.8699     229.125     20.7409     229.125     
1 1 1 17 11 21 o 38.7728 4.21672 8.19007      2.43852  9.28498      2.42673  28.7579     103.788     17.6712     283.788     
1 1 1 17 11 22 o 25.674  5.22422 3.08434      2.24867  4.80563      2.1797   14.5247     0.744975    17.1865     180.745     
1 1 1 17 11 23 o 21.0312 5.35781 3.99228      2.55656  0.247678     2.18497  8.20798     86.8193     19.2825     266.819     
1 1 1 17 11 24 o 31.6914 4.9114  6.562        2.28167  5.60579      2.38234  20.0887     316.751     19.914      136.751     
1 1 1 17 11 25 f 18.5627 5.09293 0.487841     2.03301  2.3196       2.21903  0.578211    217.221     0           0           
1 1 1 17 11 26 o 28.0392 5.13016 4.53539      2.27257  5.14608      2.19903  15.6481     99.9039     21.3424     279.904     
1 1 1 17 11 27 o 15.5739 4.70156 0.096135     1.98195  0.419013     2.00654  6.03362     208.57      10.4827     28.5695     
1 1 1 17 11 28 o 29.2026 4.89031 8.29617      2.2859   2.29635      2.43961  20.827      359.337     14.1296     179.337     
1 1 1 17 11 29 o 19.8564 5.16682 2.42186      2.08268  1.80589      2.08663  15.2513     231.231     2.86158     51.231      
1 1 1 17 11 30 o 30.0491 5.0027  6.00674      2.2912   5.38714      2.26395  31.8045     74.3491     8.35309     74.3491     
1 1 1 17 11 31 o 21.1847 4.92335 -0.282618    2.1057   4.91813      2.25194  9.14895     141.879     19.6292     321.879     
1 1 1 17 11 32 o 15.4479 4.73181 0.341473     2.08252  0.10243      2.06917  2.24837     50.3381     20.102      230.338     
1 1 1 17 11 33 o 21.4455 5.35704 2.77253      2.19244  2.84298      2.21933  13.8789     178.724     8.76756     358.724     
1 1 1 17 11 34 o 22.8028 5.69126 3.5228       2.50172  3.17298      2.4798   10.3435     52.7073     20.2745     232.707     
1 1 1 17 11 35 o 18.1501 5.28655 2.22479      2.43071  0.391905     2.43262  10.3883     59.2343     7.98271     239.234     
1 1 1 17 11 36 o 16.487  4.93944 -0.534629    2.23259  1.87779      2.25965  7.74921     316.28      10.7629     136.28      
1 1 1 17 11 37 f 38.7088 4.71465 8.21124      2.62225  11.6165      2.76577  34.9656     192.023     0           0           
1 1 1 17 11 38 o 17.1065 4.95562 -1.28309     2.33322  2.95371      2.27477  9.65199     171.087     10.2797     351.087     
1 1 1 17 11 39 o 19.0893 5.72677 3.10199      3.25616  0.936515     2.58262  16.2758     115.98      6.56446     115.98      
1 1 1 17 11 40 o 15.6486 5.0974  -0.499914    2.53551  0.0693104    3.11313  4.36122     79.8839     1.3133      79.8839     
1 1 1 17 11 41 o 21.4786 5.71291 4.04584      2.41523  2.93048      2.84205  16.6438     30.8277     4.46733     210.828     
1 1 1 17 11 42 o 20.4214 5.4586  4.34206      2.41754  1.81335      2.49693  20.8671     232.882     7.45199     232.882     
1 1 1 17 11 43 o 32.8518 5.46781 11.8744      2.9327   5.50807      2.76778  26.0197     106.735     10.0262     286.735     
1 1 1 17 11 44 o 14.0031 4.58685 1.32473      2.46362  -2.96081     2.44907  8.56149     235.45      2.07382     55.4502     
1 1 1 17 11 45 o 22.2582 5.83788 4.67376      2.56648  4.37775      2.7791   22.7409     44.9505     8.84537     44.9505     
1 1 1 17 11 46 o 14.4941 4.59735 -2.70431     2.29909  2.34418      2.32824  8.50536     279.572     0.907886    99.5725     
1 1 1 17 11 47 o 22.7341 5.58226 6.6046       2.53589  2.31837      2.89878  18.2019     91.5833     1.20985     271.583     
1 1 1 17 11 48 o 17.8002 5.24195 3.53089      2.45209  1.34732      2.4289   10.4683     24.1533     5.91852     204.153     
1 1 1 17 11 49 o 13.0121 4.36746 -0.992643    2.30993  0.12751      2.41512  5.57035     257.434     2.55491     77.4344     
1 1 1 17 11 50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 12 0  o 70.0153 3.32082 27.222       3.54284  27.222       3.54284  115.356     90          93.3942     90          
1 1 1 17 12 1  o 134.262 2.58346 102.983      5.35355  95.1089      5.31407  164.666     21.0056     57.6187     21.0056     
1 1 1 17 12 2  f 104.589 2.91299 63.497       4.91942  57.1146      4.44851  57.099      95.4404     0           0           
1 1 1 17 12 3  o 119.671 2.67061 81.8404      4.92769  75.6809      4.89811  155.986     313.996     71.2261     313.996     
1 1 1 17 12 4  o 78.8051 3.06447 33.6741      3.79424  34.9456      3.60733  71.1268     55.2731     14.6734     235.273     
1 1 1 17 12 5  o 48.2363 4.03184 13.8971      2.90603  12.3194      2.95317  31.61       96.3688     28.816      276.369     
1 1 1 17 12 6  o 27.9205 5.7753  4.91257      2.65065  4.13114      2.64091  5.38437     50.0813     34.753      230.081     
1 1 1 17 12 7  o 37.1879 5.36609 8.09731      2.97096  8.06049      2.96656  28.0281     68.591      8.23369     248.591     
1 1 1 17 12 8  o 155.952 2.34455 133.626      5.64269  133.243      5.61814  174.037     60.1287     30.9474     60.1287     
1 1 1 17 12 9  o 28.4516 5.14813 1.23861      2.57996  7.94463      2.56447  14.0681     340.3       16.5702     160.3       
1 1 1 17 12 10 o 40.3604 4.49472 8.68503      2.71263  10.0218      2.67623  42.5635     343.149     16.9747     343.149     
1 1 1 17 12 11 o 54.5135 3.78568 14.9797      2.96767  18.5147      3.30545  57.2329     342.639     9.46165     342.639     
1 1 1 17 12 12 o 71.6551 3.05098 28.1209      3.17363  28.8728      3.52252  60.7325     257.766     21.6617     77.766      
1 1 1 17 12 13 o 31.4246 5.19376 5.87562      2.50168  5.81944      2.43423  24.5514     125.901     5.04517     305.901     
1 1 1 17 12 14 o 24.3533 5.5911  3.18879      2.42006  3.54022      2.38236  10.1053     252.725     20.3052     72.7246     
1 1 1 17 12 15 f 23.7036 5.78805 3.82378      2.8008   2.33281      2.35434  8.03559     127.072     0           0           
1 1 1 17 12 16 o 33.8171 4.93341 5.46547      2.56622  8.13872      2.39776  18.3564     341.52      27.9642     161.519     
1 1 1 17 12 17 o 28.6904 5.14317 4.22835      2.27417  5.64879      2.30018  11.0678     178.356     31.6624     358.356     
1 1 1 17 12 18 o 45.4755 4.12603 10.2354      2.80609  13.6644      2.77274  60.1081     10.8333     35.0309     10.8333     
1 1 1 17 12 19 o 42.1668 5.9018  7.90914      4.39942  13.7663      2.72918  34.0153     275.618     13.5344     95.618      
1 1 1 17 12 20 o 57.6774 3.49952 18.8182      3.36291  18.8692      2.75395  52.5164     246.51      9.33613     66.5103     
1 1 1 17 12 21 o 53.6115 3.39573 15.8892      2.81146  16.7024      2.73114  47.5606     227.408     10.8037     47.4084     
1 1 1 17 12 22 o 41.6188 3.93104 9.64657      2.46425  10.4271      2.44348  31.1845     207.974     18.6893     27.9738     
1 1 1 17 12 23 o 13.6158 4.33474 -1.5217      1.93575  -0.146333    1.93226  5.03247     146.548     30.4051     146.548     
1 1 1 17 12 24 o 18.0608 4.77682 3.03711      2.04455  -1.13055     2.03683  9.50101     335.511     3.75477     155.511     
1 1 1 17 12 25 o 51.1282 3.40027 15.9846      2.65189  13.922       2.62923  46.8653     54.2241     7.05046     234.224     
1 1 1 17 12 26 o 33.0757 5.02023 6.60784      2.62445  6.85569      2.33492  28.4753     272.563     6.13425     92.5634     
1 1 1 17 12 27 f 33.0903 4.77463 8.32168      2.31269  5.21656      2.38667  31.9889     144.166     0           0           
1 1 1 17 12 28 o 39.4754 4.26518 9.19977      2.43394  9.49974      2.5864   40.8333     264.819     5.40225     264.819     
1 1 1 17 12 29 o 48.7292 3.75767 14.4488      2.65373  13.4747      2.87297  37.9244     176.204     19.8771     356.204     
1 1 1 17 12 30 o 26.2771 5.37428 4.61421      2.29026  4.35661      2.30695  12.1903     103.142     24.5138     283.142     
1 1 1 17 12 31 o 21.2221 5.31027 2.53265      2.17391  2.89812      2.16756  12.4709     291.072     11.5496     111.072     
1 1 1 17 12 32 o 25.7107 5.23933 6.42353      2.28832  1.72764      2.66171  25.1464     132.657     6.89341     132.657     
1 1 1 17 12 33 o 18.6988 5.35181 1.10602      2.41294  2.04604      2.39857  12.3631     44.0759     1.87923     224.076     
1 1 1 17 12 34 o 32.5795 5.38701 7.77244      2.65956  6.58141      2.65745  28.1382     21.2435     4.67195     201.243     
1 1 1 17 12 35 o 17.5736 5.23318 0.556103     2.18543  1.92178      2.63865  9.81843     191.935     8.5757      11.9352     
1 1 1 17 12 36 o 20.1201 5.49414 1.88729      2.53528  3.12745      2.36627  14.1877     222.757     6.28614     42.7566     
1 1 1 17 12 37 o 15.0955 4.69865 1.4711       2.21186  -1.56179     2.22965  8.11496     206.69      8.36144     26.6901     
1 1 1 17 12 38 o 28.9715 6.00077 7.00787      3.23702  6.01227      2.48322  24.8149     205.581     3.88096     25.5808     
1 1 1 17 12 39 o 19.2861 5.52147 2.5913       2.56698  2.18646      2.52913  12.1582     51.1093     6.62749     51.1093     
1 1 1 17 12 40 o 15.0697 4.78904 0.295126     2.34718  0.205921     2.29329  3.73139     188.478     18.1186     8.47766     
1 1 1 17 12 41 f 17.8585 5.67143 2.64084      3.23161  -0.39704     3.44792  27.8623     150.724     0           0           
1 1 1 17 12 42 o 14.7862 4.83926 0.748555     2.62044  -1.38647     2.65944  8.14835     251.276     7.67956     71.2762     
1 1 1 17 12 43 o 19.6104 5.60149 3.70901      2.68905  2.46223      2.56283  13.1812     98.7662     7.58618     278.766     
1 1 1 17 12 44 o 21.7275 5.66588 6.06783      2.62628  1.60884      3.08662  22.658      294.513     11.9511     294.513     
1 1 1 17 12 45 o 14.832  4.7596  -1.35774     2.36903  1.91309      2.48672  9.02571     94.0373     1.22605     94.0373     
1 1 1 17 12 46 o 14.3396 4.69362 0.965077     2.56719  -0.853047    2.34253  4.46598     171.587     1.18415     351.587     
1 1 1 17 12 47 o 18.198  5.32832 2.01778      2.4278   3.35234      2.48936  8.95887     146.558     3.09614     146.558     
1 1 1 17 12 48 o 26.1788 5.95797 5.94819      3.08043  8.1769       2.68145  25.0293     187.286     4.94299     187.286     
1 1 1 17 12 49 o 13.7854 4.57474 -0.0701874   2.5354   0.399798     2.39648  5.28196     85.3375     2.01305     85.3375     
1 1 1 17 13 0  o 40.1986 4.74906 9.62422      2.69331  9.62422      2.69331  21.8448     90.0002     16.1468     90.0002     
1 1 1 17 13 1  o 153.849 2.28966 128.355      5.262    131.385      5.58519  154.854     179.735     2.27935     359.735     
1 1 1 17 13 2  f 84.1467 2.89543 36.8512      3.78156  41.4543      3.68221  52.8309     258.081     0           0           
1 1 1 17 13 3  o 122.547 2.4909  81.3545      4.42974  83.8447      4.95361  137.941     133.522     28.7174     133.522     
1 1 1 17 13 4  f 46.8498 3.99282 13.6652      2.74883  11.2028      2.85318  37.7063     309.584     0           0           
1 1 1 17 13 5  o 41.225  4.50992 11.0179      2.69898  8.54929      2.7932   38.1642     59.1649     1.56376     59.1649     
1 1 1 17 13 6  o 20.0696 5.52158 2.57318      2.4117   -0.173685    2.74968  2.18189     158.827     5.88845     338.827     
1 1 1 17 13 7  o 76.5835 3.06334 35.517       3.33747  29.6605      3.77673  104.659     138.072     59.6564     138.072     
1 1 1 17 13 8  o 57.8642 3.48561 17.9886      2.89755  19.5009      3.2549   68.363      282.267     25.3483     282.267     
1 1 1 17 13 9  o 22.5677 5.54289 2.79811      2.35891  2.6039       2.35265  8.72129     63.0232     13.3794     243.023     
1 1 1 17 13 10 o 24.7494 5.42948 4.8363       2.40443  2.08569      2.34379  12.2154     92.3897     15.071      272.39      
1 1 1 17 13 11 f 19.0998 5.22405 2.43323      2.28823  0.117819     2.24469  16.9687     35.5056     0           0           
1 1 1 17 13 12 o 29.3931 5.25101 5.89488      2.39663  4.42581      2.38295  17.7583     187.735     17.9298     7.73516     
1 1 1 17 13 13 o 79.113  2.71838 36.2284      3.31943  33.2067      3.28074  96.1273     77.2737     34.3607     77.2737     
1 1 1 17 13 14 o 50.989  3.73528 13.3883      2.89439  16.1677      2.85641  49.2585     87.9607     1.44059     267.961     
1 1 1 17 13 15 o 71.2231 3.42153 27.4924      4.08898  29.5451      3.28228  81.6536     283.633     21.7496     283.633     
1 1 1 17 13 16 o 69.1032 3.23609 24.8586      3.68302  28.7728      3.06601  84.1247     226.573     31.4338     226.573     
1 1 1 17 13 17 o 93.1813 2.6508  45.8841      3.95506  50.6117      3.60178  101.494     72.8297     16.2594     72.8297     
1 1 1 17 13 18 o 23.6948 5.20503 5.51918      2.41611  0.400535     2.37658  16.8542     277.985     4.95957     97.9847     
1 1 1 17 13 19 o 18.2847 5.20588 1.39283      2.25287  0.855704     2.25661  7.90775     340.564     3.92743     160.564     
1 1 1 17 13 20 o 54.3306 3.30956 18.6448      2.73259  14.9181      2.72146  55.7438     88.2835     4.87698     88.2835     
1 1 1 17 13 21 o 31.5706 4.86854 7.14431      2.28133  4.97491      2.33455  27.9094     299.828     2.2872      119.828     
1 1 1 17 13 22 o 54.3947 3.41651 16.0387      2.73622  17.7033      2.92881  49.6625     324.789     7.66191     144.789     
1 1 1 17 13 23 o 20.5506 5.36655 1.96405      2.37588  2.38178      2.13168  13.0443     45.1744     4.63854     45.1744     
1 1 1 17 13 24 o 29.8331 5.37372 6.10962      2.70046  5.05269      2.2531   22.6503     342.883     10.6531     162.883     
1 1 1 17 13 25 o 55.4739 3.36991 20.6689      2.91301  14.8327      2.74652  65.6961     87.5674     22.3526     87.5674     
1 1 1 17 13 26 o 22.4237 5.12114 1.02312      2.21559  4.67197      2.19249  15.7737     342.693     8.74082     162.693     
1 1 1 17 13 27 o 43.3948 3.97662 8.56715      2.49727  14.0547      2.54508  48.8305     266.774     13.992      266.774     
1 1 1 17 13 28 o 47.894  3.68821 11.3638      2.6538   15.7541      2.61338  44.5945     260.707     4.05392     80.7067     
1 1 1 17 13 29 o 19.8326 5.1966  1.90657      2.11412  2.47984      2.11363  14.6991     15.2186     2.32372     15.2186     
1 1 1 17 13 30 o 17.1348 4.93458 0.00260924   2.11491  1.92804      2.10308  7.20475     222.097     0.792119    222.097     
1 1 1 17 13 31 o 38.676  5.16903 12.7033      3.33156  6.9486       2.62362  30.6994     339.866     12.2961     159.866     
1 1 1 17 13 32 o 24.7999 5.79955 3.25081      2.58694  5.07634      2.64252  24.5926     328.887     11.2581     328.887     
1 1 1 17 13 33 o 18.2839 5.25342 0.191346     2.4266   2.58636      2.37538  12.5097     185.881     1.1443      5.88085     
1 1 1 17 13 34 o 24.1451 5.8328  4.94477      2.72244  3.40083      2.52095  22.7201     65.4335     4.32478     65.4335     
1 1 1 17 13 35 o 29.6723 5.46334 8.24037      2.6324   4.44429      2.59071  36.9149     333.418     22.2403     333.418     
1 1 1 17 13 36 o 15.9953 4.89102 -1.02478     2.30286  1.8849       2.31138  11.825      303.679     0.381271    303.679     
1 1 1 17 13 37 o 29.7147 5.42337 4.63016      2.82562  8.29353      2.44451  28.7142     342.245     2.80772     342.245     
1 1 1 17 13 38 o 14.4807 4.81619 -1.61161     2.40278  -0.423157    3.02707  6.18405     246.133     8.46419     66.1328     
1 1 1 17 13 39 o 44.1878 4.69409 14.7103      3.09789  12.1139      3.06311  57.7257     258.543     32.2956     258.543     
1 1 1 17 13 40 o 15.5715 4.83163 2.06527      2.32642  -1.18502     2.34884  6.5974      151.537     13.7716     331.537     
1 1 1 17 13 41 o 15.1752 4.75477 1.85766      2.27718  -1.1821      2.33573  11.3674     7.50794     2.6368      7.50794     
1 1 1 17 13 42 o 16.0501 5.09286 0.806469     2.60194  1.0927       2.62522  8.79095     24.7269     8.72886     204.727     
1 1 1 17 13 43 o 18.7829 5.68263 2.22647      3.02245  3.23018      2.86671  14.974      337.369     0.513218    157.369     
1 1 1 17 13 44 o 16.2005 5.18989 -1.29026     2.87817  2.79995      2.91671  9.26776     277.045     3.85893     277.045     
1 1 1 17 13 45 o 12.9633 4.35574 -1.52277     2.29112  -0.427358    2.42888  2.38834     335.287     1.69171     155.287     
1 1 1 17 13 46 o 17.3745 5.30829 1.84166      2.61931  2.55944      2.59204  9.9231      241.961     3.38105     61.9608     
1 1 1 17 13 47 o 19.1461 5.4688  2.53206      2.55738  4.46591      2.53665  10.0684     158.799     5.69593     158.799     
1 1 1 17 13 48 o 23.1635 5.32745 8.35851      2.61979  1.91626      2.56726  25.7239     109.802     14.2848     109.802     
1 1 1 17 13 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 14 0  o 13.0062 5.78115 0.556161     2.4244   0.556161     2.4244   43.3926     90          111.765     90          
1 1 1 17 14 1  o 16.2543 4.99471 -0.239017    2.3144   -0.154902    2.3402   3.16761     153.018     25.1924     153.018     
1 1 1 17 14 2  o 26.1394 5.75589 3.64128      2.46929  4.30414      2.66322  14.9922     69.1292     11.4109     249.129     
1 1 1 17 14 3  o 20.0335 5.56704 -0.0362327   2.41621  2.72123      2.76339  5.57433     30.1695     7.73372     210.17      
1 1 1 17 14 4  f 72.3808 2.99859 29.5096      3.23006  28.7065      3.41865  82.6308     29.0048     0           0           
1 1 1 17 14 5  o 20.9994 5.55004 1.96179      2.412    2.1271       2.41733  7.09112     324.957     15.4461     144.957     
1 1 1 17 14 6  f 83.4305 2.67324 36.0072      3.41814  41.0982      3.42112  93.7703     88.9417     0           0           
1 1 1 17 14 7  o 30.2207 5.44168 5.64518      2.61956  5.29274      2.45842  29.112      286.076     11.2416     286.076     
1 1 1 17 14 8  o 17.831  5.08811 -0.856644    2.26963  2.06066      2.28051  5.15162     75.5575     6.1447      255.558     
1 1 1 17 14 9  o 39.6926 4.36726 11.2044      2.59906  7.23281      2.49559  39.4551     277.399     3.92717     277.399     
1 1 1 17 14 10 o 56.1246 3.34357 15.578       2.85396  19.95        2.8288   53.5652     292.733     3.31867     112.733     
1 1 1 17 14 11 o 40.3219 4.65522 11.0735      3.0472   8.05669      2.54158  46.9809     216.798     19.3635     216.798     
1 1 1 17 14 12 o 64.6424 3.48071 19.6226      3.60386  27.7804      3.04304  49.4628     299.148     29.5089     119.148     
1 1 1 17 14 13 o 64.9626 3.02546 25.0462      2.99982  22.1953      3.00956  73.0355     277.725     17.9365     277.725     
1 1 1 17 14 14 o 16.6641 4.92897 1.58222      2.2309   -1.38164     2.24     0.146635    34.7701     25.7353     34.7705     
1 1 1 17 14 15 o 22.4628 5.50272 3.07858      2.35716  2.51787      2.29086  12.9193     309.301     10.7239     129.301     
1 1 1 17 14 16 o 36.1282 4.54155 7.58128      2.44084  7.84936      2.42667  39.0094     44.1669     11.6902     44.1669     
1 1 1 17 14 17 o 83.8463 2.78051 35.6525      3.72051  43.0249      3.36804  86.1403     243.011     5.46461     243.011     
1 1 1 17 14 18 o 36.3976 4.87708 6.76759      2.60389  9.23156      2.65124  39.7061     74.5898     12.4934     74.5898     
1 1 1 17 14 19 o 37.9243 4.55247 10.6019      2.42585  6.66438      2.5903   25.7997     316.996     21.1831     136.996     
1 1 1 17 14 20 o 27.3426 5.0055  6.58861      2.25943  2.57432      2.23161  26.7822     311.592     16.3356     311.592     
1 1 1 17 14 21 o 64.2547 2.97045 23.9821      2.9255   22.5728      2.91843  58.7473     227.172     9.40477     47.1715     
1 1 1 17 14 22 o 60.2346 3.17271 25.0622      2.89797  16.5603      2.84719  54.1373     11.1636     10.5355     191.164     
1 1 1 17 14 23 o 33.706  4.7006  6.48255      2.38153  7.35742      2.32161  24.073      268.184     16.5731     88.1839     
1 1 1 17 14 24 o 16.7151 4.89842 0.757307     2.07288  0.805639     2.05535  4.23244     97.2311     1.69922     97.2311     
1 1 1 17 14 25 f 51.6396 3.42204 14.1509      2.69114  16.7591      2.66602  59.6183     29.2171     0           0           
1 1 1 17 14 26 o 41.406  4.00175 10.2734      2.47465  10.1686      2.49474  37.5036     52.7927     4.70205     232.793     
1 1 1 17 14 27 o 18.1002 4.93538 -0.863443    2.34035  2.86324      2.02977  11.3538     295.029     0.176425    115.03      
1 1 1 17 14 28 o 29.3995 5.502   4.42473      2.6128   6.9807       2.54848  28.9735     331.957     5.57773     331.957     
1 1 1 17 14 29 f 18.6267 5.10023 0.726859     2.16461  2.53684      2.1233   22.0984     228.189     0           0           
1 1 1 17 14 30 o 26.2141 5.33225 7.60792      2.67477  1.21398      2.5633   22.7235     81.6688     0.526368    261.669     
1 1 1 17 14 31 o 26.152  5.64933 3.55916      2.58196  5.80327      2.5172   21.5506     291.659     3.23788     111.659     
1 1 1 17 14 32 o 15.9503 4.86921 -0.922094    2.12724  1.65793      2.3563   3.80605     52.5951     18.3872     232.595     
1 1 1 17 14 33 o 15.7844 4.75225 1.89366      2.14603  -1.1688      2.14676  9.50012     217.947     2.60182     37.9467     
1 1 1 17 14 34 o 18.5144 5.21743 0.760116     2.31272  2.89852      2.30165  14.4731     11.9671     1.1109      191.967     
1 1 1 17 14 35 o 34.5439 5.31954 6.64007      2.77354  10.3646      2.76695  28.2012     149.691     8.87258     329.691     
1 1 1 17 14 36 o 15.0709 4.72773 -0.237832    2.14141  0.774473     2.24442  8.63544     102.159     0.457003    102.159     
1 1 1 17 14 37 o 14.0921 4.60935 -1.72512     2.41969  0.195777     2.36218  6.65739     168.934     1.59841     348.934     
1 1 1 17 14 38 o 28.387  6.02103 8.18539      2.81551  5.05769      3.19257  30.7517     249.374     10.9608     249.374     
1 1 1 17 14 39 o 14.1453 4.5456  -4.15892     2.15557  2.15769      2.49426  10.0589     312.283     0.324078    132.283     
1 1 1 17 14 40 o 29.5939 5.76198 6.92382      2.76034  7.42191      2.66702  30.8804     209.971     8.01509     209.971     
1 1 1 17 14 41 f 22.3264 5.65597 3.14371      2.52819  5.35787      2.54323  26.71       192.065     0           0           
1 1 1 17 14 42 o 21.7059 5.31878 6.52707      2.54494  0.915523     2.48947  19.8759     96.4976     2.81452     96.4976     
1 1 1 17 14 43 o 12.7484 4.32096 -0.729181    2.45045  -2.15942     2.43018  5.59246     110.074     4.98563     290.074     
1 1 1 17 14 44 o 22.911  6.25674 5.24883      3.1067   5.55498      3.1549   17.3065     67.0711     3.25251     247.071     
1 1 1 17 14 45 o 20.2026 5.78246 5.20603      2.86445  2.27792      2.95668  14.398      32.0461     4.70126     32.0461     
1 1 1 17 14 46 o 18.3935 5.40104 4.58461      2.56428  1.13657      2.88281  8.42448     145.807     4.40516     145.807     
1 1 1 17 14 47 o 13.2593 4.44587 0.244546     2.35572  -0.906523    2.55625  6.71098     175.481     0.577134    175.481     
1 1 1 17 14 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 15 0  o 34.8976 5.47873 7.70265      2.57339  7.70265      2.57339  48.5698     90          31.0244     90          
1 1 1 17 15 1  o 45.1322 4.15747 11.8899      2.97397  11.4959      2.66142  50.2192     251.889     14.6854     251.889     
1 1 1 17 15 2  o 27.5374 5.74183 3.38071      2.94102  5.48273      2.43062  13.2213     142.33      23.3856     322.33      
1 1 1 17 15 3  o 43.3037 4.51606 8.88739      2.8472   13.0587      2.91573  47.0853     119.781     12.3251     119.781     
1 1 1 17 15 4  o 63.5472 3.11862 24.1548      3.07974  21.0659      2.98052  38.7808     139.831     48.5064     319.831     
1 1 1 17 15 5  o 55.9085 3.37303 16.2268      2.87769  19.0074      2.85646  37.0271     302.253     36.1968     122.253     
1 1 1 17 15 6  o 16.491  4.94843 1.23045      2.30392  -1.16815     2.20497  3.44634     66.0944     12.1139     246.094     
1 1 1 17 15 7  o 27.0448 5.15013 8.15685      2.83576  0.322726     2.35383  19.5824     58.6278     7.99144     238.628     
1 1 1 17 15 8  o 21.1542 5.35233 4.2547       2.61186  -0.374084    2.27085  12.0297     250.473     6.55361     70.4733     
1 1 1 17 15 9  o 49.9811 3.67767 11.3927      2.72892  17.3084      2.73151  16.2495     226.163     65.9475     46.1627     
1 1 1 17 15 10 o 49.2785 3.62109 14.5043      2.73128  13.1282      2.68056  57.7762     289.754     21.1444     289.754     
1 1 1 17 15 11 o 23.1485 5.48764 3.6148       2.35043  2.47494      2.29308  16.1633     15.3875     4.29526     15.3875     
1 1 1 17 15 12 o 42.6427 4.01805 9.98419      2.55896  11.0404      2.58143  47.2183     288.886     13.9303     288.886     
1 1 1 17 15 13 o 73.5859 2.92172 31.207       3.23191  29.4231      3.3552   83.1511     73.8435     21.2013     73.8435     
1 1 1 17 15 14 o 36.5399 5.04359 7.60907      2.88243  8.49321      2.57619  32.294      244.164     3.86295     64.1639     
1 1 1 17 15 15 o 36.0124 4.84713 10.7195      2.59806  5.22465      2.54037  43.3679     116.201     23.2531     116.201     
1 1 1 17 15 16 o 29.2061 5.12888 5.94166      2.31338  4.52066      2.30114  16.6791     239.892     20.5844     59.8918     
1 1 1 17 15 17 o 25.9417 5.24088 6.19179      2.46072  1.98646      2.24246  23.9679     93.2258     6.24336     93.2258     
1 1 1 17 15 18 f 21.4916 5.56411 2.26214      2.42185  2.65861      2.39307  23.6326     37.2131     0           0           
1 1 1 17 15 19 o 65.6538 3.17514 27.5164      3.0424   21.5102      3.26111  70.0917     263.246     11.2312     263.246     
1 1 1 17 15 20 o 16.3857 4.74464 1.86302      2.03552  -1.03868     2.02847  8.89547     96.1993     1.63146     276.199     
1 1 1 17 15 21 o 29.3428 5.25367 5.83505      2.51556  4.98375      2.23865  34.2384     206.307     16.4576     206.307     
1 1 1 17 15 22 f 30.24   4.94504 5.64265      2.25742  5.74972      2.25625  23.7411     60.9964     0           0           
1 1 1 17 15 23 o 18.726  5.02984 0.693493     2.06161  2.58301      2.0665   11.7423     351.996     4.73268     351.996     
1 1 1 17 15 24 o 40.0785 4.14126 9.09155      2.49829  10.1982      2.45012  43.0985     272.993     10.2029     272.993     
1 1 1 17 15 25 o 27.4406 5.19829 5.17284      2.26592  4.54729      2.22036  15.1316     243.64      20.3503     63.6399     
1 1 1 17 15 26 o 22.3691 5.32635 2.25208      2.22527  3.92841      2.20893  12.5939     197.564     13.7878     17.5638     
1 1 1 17 15 27 o 19.3586 5.22321 0.222544     2.55314  3.00707      2.11365  9.38661     312.387     13.0331     132.387     
1 1 1 17 15 28 o 45.6574 4.24025 14.6406      2.91267  10.9119      2.84823  44.0519     213.976     0.969974    213.976     
1 1 1 17 15 29 o 32.4374 5.31779 4.92351      2.65495  9.27859      2.67664  28.7806     16.7546     2.16125     196.755     
1 1 1 17 15 30 o 25.413  5.77318 4.75565      2.60039  4.29739      2.52586  17.0414     205.857     11.4005     25.8572     
1 1 1 17 15 31 o 18.7961 5.15971 3.69681      2.43918  -0.246       2.1746   13.314      221.622     5.22333     221.622     
1 1 1 17 15 32 o 15.7596 4.91069 0.968557     2.47797  -0.221571    2.16105  6.46324     73.374      12.6194     253.374     
1 1 1 17 15 33 o 11.4009 3.89212 -2.61638     2.05074  -2.16828     2.06747  2.39093     194.361     0.911259    14.3613     
1 1 1 17 15 34 o 24.3631 5.32149 6.90388      2.5607   1.54714      2.3934   24.3845     221.154     6.52146     221.154     
1 1 1 17 15 35 o 14.9027 4.6652  1.45101      2.21235  -1.505       2.20699  6.39188     287.265     9.97384     107.265     
1 1 1 17 15 36 o 12.5187 4.20906 -1.97056     2.22722  -1.26123     2.20639  4.67204     43.5077     5.44113     223.508     
1 1 1 17 15 37 o 19.6527 5.58401 1.80224      2.66869  3.60939      2.60159  17.5261     10.1833     3.0301      10.1833     
1 1 1 17 15 38 f 17.3621 5.21373 0.45371      2.3501   2.84909      2.58975  12.458      284.812     0           0           
1 1 1 17 15 39 o 14.3984 4.66905 -1.03066     2.27667  0.861052     2.44603  9.53145     322.365     0.498255    322.365     
1 1 1 17 15 40 o 18.6054 5.42202 3.81957      2.56713  0.915171     2.70586  13.7336     142.605     3.23138     322.605     
1 1 1 17 15 41 o 16.4995 5.03181 2.95494      2.35998  -0.848889    2.71428  12.6368     81.9171     3.65907     81.9171     
1 1 1 17 15 42 o 15.5907 4.97998 1.54869      2.49126  0.0838865    2.66904  9.12749     176.265     2.04747     176.265     
1 1 1 17 15 43 o 15.4917 4.95738 1.04171      2.49422  0.714486     2.58468  7.14309     14.0023     2.60027     194.002     
1 1 1 17 15 44 o 17.7265 5.37221 2.70126      2.60871  2.16567      2.64157  7.87856     115.701     2.15548     115.701     
1 1 1 17 15 45 o 13.0833 4.40136 -0.3732      2.31598  -0.757787    2.54742  4.86881     161.702     5.07366     341.702     
1 1 1 17 15 46 f 17.7908 5.32752 1.37698      2.83574  4.18146      2.52015  19.6393     32.6263     0           0           
1 1 1 17 15 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 16 0  o 29.8779 6.24018 6.1636       2.49601  6.1636       2.49601  30.9985     270         3.10346     270         
1 1 1 17 16 1  o 72.303  2.89261 29.2146      3.22656  29.1499      3.18827  81.8398     226.605     21.6396     226.605     
1 1 1 17 16 2  o 69.3497 3.22953 28.3204      3.70633  25.7557      3.14963  74.8837     39.2355     13.6355     39.2355     
1 1 1 17 16 3  o 79.9385 3.03502 34.1118      3.9981   37.4173      3.37875  95.5632     224.001     33.7694     224.001     
1 1 1 17 16 4  o 39.1519 4.47534 9.98043      2.61618  8.03661      2.57806  25.7801     12.7347     23.2114     192.735     
1 1 1 17 16 5  o 19.9565 5.45749 1.04021      2.53402  2.24834      2.30224  8.11634     177.758     0.27238     177.758     
1 1 1 17 16 6  o 74.0242 2.96652 32.3506      3.5269   29.0212      3.21071  77.5889     3.29618     9.48299     3.29618     
1 1 1 17 16 7  o 35.5383 5.38567 8.60555      3.18536  6.8143       2.53956  22.5635     53.9465     21.8292     233.947     
1 1 1 17 16 8  o 26.9362 5.4845  3.09968      2.5957   5.60715      2.36783  14.8856     316.4       18.4771     136.4       
1 1 1 17 16 9  o 34.697  4.84892 6.72274      2.51431  7.72879      2.48105  20.7998     160.46      23.8588     340.46      
1 1 1 17 16 10 o 50.6983 3.57199 15.9398      2.76527  13.4587      2.72294  58.8918     1.04255     20.6876     1.04255     
1 1 1 17 16 11 o 48.0509 3.74718 11.0946      2.67611  15.6191      2.70171  34.5651     25.8096     24.0896     205.81      
1 1 1 17 16 12 o 20.7414 5.39741 2.05454      2.27937  2.37483      2.25895  12.5438     227.054     1.34043     227.054     
1 1 1 17 16 13 o 36.3422 4.851   7.58833      2.62878  8.31483      2.59942  33.6401     166.175     0.380578    346.175     
1 1 1 17 16 14 o 33.5263 5.27426 3.64764      2.99681  10.3299      2.57301  29.4832     17.7547     2.75899     197.755     
1 1 1 17 16 15 o 20.9419 4.91553 -1.20264     2.34926  4.61338      2.19602  15.4865     219.181     0.932832    219.181     
1 1 1 17 16 16 f 21.6752 5.14462 4.88735      2.44737  -0.207702    2.17844  15.6927     49.5374     0           0           
1 1 1 17 16 17 f 17.9127 5.23084 0.659363     2.37183  1.18787      2.32316  25.3961     242.479     0           0           
1 1 1 17 16 18 o 38.4894 4.56737 9.54418      2.51311  8.29889      2.68564  40.4722     112.267     7.87945     112.267     
1 1 1 17 16 19 o 38.1715 4.27069 7.96555      2.4218   9.47003      2.41661  50.6787     111.257     30.6044     111.257     
1 1 1 17 16 20 o 39.0587 4.35491 10.56        2.45656  7.88196      2.54822  33.3175     48.3233     8.15898     228.323     
1 1 1 17 16 21 o 36.3269 4.4626  7.30475      2.44013  8.79338      2.35159  32.9377     134.881     2.8033      314.881     
1 1 1 17 16 22 o 40.728  4.33365 13.3129      2.54637  7.16292      2.52328  28.526      110.048     20.983      290.048     
1 1 1 17 16 23 o 16.7573 4.75365 -1.10819     2.04955  2.37514      2.04251  5.00431     233.89      16.5561     53.8895     
1 1 1 17 16 24 o 27.2877 5.24554 4.89494      2.25744  4.78294      2.26605  8.27775     74.3806     34.0438     254.381     
1 1 1 17 16 25 o 20.2017 5.25947 3.61179      2.36894  0.851657     2.11814  8.23237     17.4525     17.892      197.452     
1 1 1 17 16 26 o 19.8032 5.01585 0.250643     2.15373  3.73593      2.11402  12.9444     94.7667     4.76873     274.767     
1 1 1 17 16 27 o 20.7282 5.26306 4.4302       2.41317  0.173281     2.32122  14.268      108.855     4.95335     288.855     
1 1 1 17 16 28 o 16.9182 5.07536 0.854031     2.3146   0.926132     2.27985  5.86292     186.343     15.3317     6.34261     
1 1 1 17 16 29 o 29.3897 5.16379 7.37787      2.38836  4.46769      2.35704  23.4106     191.66      6.94411     11.6598     
1 1 1 17 16 30 o 24.6944 5.44727 3.98514      2.30824  4.64968      2.29618  22.8982     85.848      2.91523     85.848      
1 1 1 17 16 31 o 16.3825 4.95688 0.883553     2.22543  0.950343     2.22318  7.59304     226.382     3.52344     226.382     
1 1 1 17 16 32 o 13.4762 4.36909 0.581033     2.11592  -2.73983     2.18744  6.68473     54.2644     0.745947    234.264     
1 1 1 17 16 33 o 17.7951 5.0666  0.671243     2.18665  2.67726      2.20044  7.68361     339.47      14.919      159.47      
1 1 1 17 16 34 o 16.5254 4.98441 2.29958      2.36579  -0.413719    2.26591  10.8036     182.954     0.0414388   182.954     
1 1 1 17 16 35 f 31.7284 5.65605 8.47129      2.96917  6.98278      2.5584   36.6166     156.506     0           0           
1 1 1 17 16 36 o 15.2261 4.91463 0.566294     2.88301  -0.122729    2.19427  10.8472     210.977     1.35727     30.9775     
1 1 1 17 16 37 o 24.0357 6.12726 6.67279      3.12732  3.67211      2.77634  21.1227     193.543     0.00590115  193.533     
1 1 1 17 16 38 o 18.0976 5.25654 1.57344      2.39591  2.92732      2.36195  9.93148     234.818     11.0093     54.8182     
1 1 1 17 16 39 f 17.3328 5.01159 3.8948       2.37072  -1.09506     2.43871  7.65877     267.294     0           0           
1 1 1 17 16 40 o 17.8485 5.11477 -0.382833    2.43149  4.24035      2.43107  11.7611     312.086     5.9531      132.086     
1 1 1 17 16 41 o 13.8119 4.54255 0.565529     2.29497  -1.2097      2.45622  5.67684     182.288     1.0924      2.28791     
1 1 1 17 16 42 o 17.7357 5.19487 -0.807784    2.55033  4.47728      2.61028  10.2987     176.008     3.70565     356.008     
1 1 1 17 16 43 o 15.9356 5.06743 1.56655      2.51923  0.995193     2.70737  7.73354     132.902     4.60394     312.902     
1 1 1 17 16 44 o 14.5649 4.71873 2.34029      2.44406  -1.84679     2.65069  7.5198      142.82      3.50905     322.82      
1 1 1 17 16 45 o 15.1291 4.85672 -2.78857     2.4963   3.80168      2.7699   10.4426     49.3003     1.12315     229.3       
1 1 1 17 17 0  o 79.7946 2.76773 35.3297      3.3821   35.3297      3.3821   89.9866     270         21.4355     270         
1 1 1 17 17 1  o 51.3989 3.7576  11.2164      2.80124  19.6471      2.85734  54.7479     285.791     10.9242     285.791     
1 1 1 17 17 2  o 49.2346 4.27173 15.9613      2.77482  12.3668      3.36783  41.7536     214.799     11.3091     34.7994     
1 1 1 17 17 3  o 48.7793 4.06373 12.4985      2.96477  15.1401      2.99809  46.5265     176.781     0.504       356.781     
1 1 1 17 17 4  o 58.2359 3.2707  18.5412      2.92243  19.8763      2.89097  59.6742     23.8592     6.50522     23.8592     
1 1 1 17 17 5  o 43.7569 4.11282 9.37232      2.66311  13.0611      2.6674   26.7313     79.2675     30.7147     259.268     
1 1 1 17 17 6  o 74.4949 2.84801 31.111       3.27367  31.075       3.23606  65.2069     90.0932     15.6659     270.093     
1 1 1 17 17 7  o 52.6261 3.55596 18.7765      2.85059  13.1158      2.77203  57.1218     236.002     13.1981     236.002     
1 1 1 17 17 8  o 14.523  4.63397 -1.31505     2.23748  -0.43641     2.17765  2.06972     97.1844     4.99677     277.184     
1 1 1 17 17 9  o 42.9176 4.06634 11.7163      2.65211  9.80882      2.57453  49.0007     118.1       17.694      118.1       
1 1 1 17 17 10 f 53.6882 3.44124 18.1585      2.82342  14.8248      2.78247  51.2645     292.692     0           0           
1 1 1 17 17 11 o 23.1187 5.64992 3.56388      2.62204  2.66364      2.27331  17.4803     1.20091     2.61485     181.201     
1 1 1 17 17 12 o 19.622  5.38023 2.59196      2.5053   0.835185     2.19557  7.90846     282.809     3.08579     282.809     
1 1 1 17 17 13 o 23.8306 5.62396 3.05646      2.43784  3.7554       2.41963  17.9312     21.5389     5.21919     201.539     
1 1 1 17 17 14 f 15.818  4.85173 -3.13883     2.65374  1.31116      2.18852  11.39       307.004     0           0           
1 1 1 17 17 15 o 50.708  3.61363 15.9865      2.88827  13.7926      2.67794  43.7931     122.208     10.8022     302.208     
1 1 1 17 17 16 o 18.9238 5.17077 -3.28883     3.21211  3.20081      2.15782  14.6768     234.171     5.02702     234.171     
1 1 1 17 17 17 o 21.3359 5.60733 3.25328      2.58313  1.73437      2.37709  9.26787     177.422     19.3115     357.422     
1 1 1 17 17 18 o 22.7478 5.53605 2.2539       2.35232  3.98128      2.42133  19.282      59.3629     0.901363    59.3629     
1 1 1 17 17 19 o 41.6273 4.14041 12.0142      2.63658  8.86695      2.49128  50.7889     179.574     23.9712     179.574     
1 1 1 17 17 20 o 20.5926 5.54516 3.01001      2.75219  1.69235      2.11565  11.6264     91.1502     10.7771     271.15      
1 1 1 17 17 21 o 23.5428 5.33123 2.71669      2.27525  4.29619      2.18495  21.4121     264.052     9.5852      264.052     
1 1 1 17 17 22 o 21.4227 5.31892 3.63084      2.27809  1.89476      2.1427   8.98026     218.723     19.1033     38.7228     
1 1 1 17 17 23 o 46.6947 3.81907 11.7447      2.74412  14.2738      2.59293  40.3253     49.372      8.27193     229.372     
1 1 1 17 17 24 o 21.1819 5.19333 4.17903      2.25403  1.11029      2.13896  13.4473     352.196     7.95899     172.196     
1 1 1 17 17 25 o 29.2578 5.23305 2.59629      2.68934  8.85503      2.56173  32.8273     110.699     16.8355     110.699     
1 1 1 17 17 26 o 15.2106 4.76037 0.272271     2.22189  -0.207373    2.1884   4.09724     203.545     0.346631    23.545      
1 1 1 17 17 27 o 21.4861 4.81304 5.53917      2.21129  -0.426612    2.17531  16.7434     359.136     2.41993     179.136     
1 1 1 17 17 28 o 15.8087 4.78854 0.416422     2.09481  0.959055     2.07514  4.51791     169.382     16.8457     349.382     
1 1 1 17 17 29 o 29.606  5.47139 6.40213      2.57225  6.1519       2.47132  27.0522     0.0158134   0.139477    0.0158135   
1 1 1 17 17 30 o 33.8474 5.07525 9.87577      2.58793  6.13268      2.56701  26.4935     131.489     10.2692     311.489     
1 1 1 17 17 31 o 33.6513 4.94405 9.78215      2.50793  5.99832      2.46706  33.2467     82.9122     4.55077     82.9122     
1 1 1 17 17 32 o 15.8511 4.8405  1.48591      2.21838  0.0681326    2.14302  9.32086     55.2292     0.550424    55.2292     
1 1 1 17 17 33 o 16.3718 4.90753 -0.786134    2.28555  2.46566      2.26773  11.1206     274.949     1.34918     94.949      
1 1 1 17 17 34 o 15.5983 4.88765 0.666377     2.37768  0.67103      2.28094  8.64715     278.603     7.8872      98.6031     
1 1 1 17 17 35 o 16.696  5.00665 0.64373      2.26397  2.17721      2.26897  14.1147     338.624     3.46397     338.624     
1 1 1 17 17 36 o 13.7487 4.6021  -0.459925    2.58921  -1.74769     2.6084   6.90522     50.1198     1.51714     50.1198     
1 1 1 17 17 37 o 16.2282 5.06253 0.379878     2.3004   2.05157      2.64729  10.8778     336.017     3.06037     156.017     
1 1 1 17 17 38 o 15.8985 4.99868 0.905062     2.41612  1.30784      2.49799  11.2037     17.8791     2.73546     17.8791     
1 1 1 17 17 39 o 19.6123 5.50696 2.56267      2.49476  3.94064      2.52086  13.376      48.3246     6.18122     228.325     
1 1 1 17 17 40 f 20.0323 5.5452  6.16992      2.91941  0.576938     2.48404  20.5487     340.632     0           0           
1 1 1 17 17 41 o 14.0819 4.64866 -1.21712     2.32251  0.912114     2.63761  3.63042     21.423      7.0189      201.423     
1 1 1 17 17 42 o 13.5199 4.53366 -2.74273     2.54392  0.980913     2.61929  4.40121     293.204     5.01785     113.204     
1 1 1 17 17 43 o 12.3807 4.23696 -1.31627     2.47486  -1.27345     2.47947  4.23162     17.1893     2.21543     197.189     
1 1 1 17 17 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 18 0  f 60.7471 3.27406 20.8086      3.02073  20.8086      3.02073  63.7973     270         0           0           
1 1 1 17 18 1  o 80.4727 2.92052 33.2671      3.70641  39.6686      3.45463  84.0268     260.233     11.1368     260.233     
1 1 1 17 18 2  o 51.7438 3.6622  13.6866      2.89429  17.195       2.81326  50.513      255.372     1.68104     255.372     
1 1 1 17 18 3  o 16.4517 4.99504 -0.76327     2.31734  0.946258     2.30674  4.91614     43.2347     1.15898     223.235     
1 1 1 17 18 4  o 33.8384 5.02576 8.37964      2.55274  5.70483      2.5283   32.3183     254.751     2.68585     254.751     
1 1 1 17 18 5  o 43.6296 4.08934 11.1151      2.65705  11.1757      2.70244  27.1563     231.002     29.4205     51.0017     
1 1 1 17 18 6  o 29.7943 5.28679 6.94177      2.47537  4.14921      2.45501  30.0413     301.544     7.58748     301.544     
1 1 1 17 18 7  o 21.4487 5.67448 2.89829      2.34536  1.71022      2.79964  10.1796     173.227     16.6281     353.227     
1 1 1 17 18 8  o 11.4161 3.94351 -2.73341     2.18475  -5.89295     2.49166  0.638771    332.943     6.57552     152.943     
1 1 1 17 18 9  o 46.4211 4.01293 16.8914      2.71839  8.90954      2.64536  35.9492     190.634     17.4306     10.6335     
1 1 1 17 18 10 o 21.7899 5.45985 1.10774      2.60374  3.79725      2.2708   13.1392     162.735     11.8421     342.735     
1 1 1 17 18 11 o 43.6434 4.09785 9.56834      2.67188  13.0292      2.62189  52.4719     149.654     22.2748     149.654     
1 1 1 17 18 12 o 19.2141 5.31809 -0.611727    2.77091  2.8327       2.23493  11.4053     7.52711     9.30468     187.527     
1 1 1 17 18 13 o 38.3856 4.8408  10.895       2.86786  7.38209      2.62886  33.9151     144.924     4.69952     324.924     
1 1 1 17 18 14 o 45.6378 4.55934 16.169       3.04274  9.43375      2.98924  50.7803     228.955     15.1537     228.955     
1 1 1 17 18 15 o 21.3808 5.19366 5.72631      2.78087  -1.80761     2.27742  13.8865     277.597     8.37703     97.5971     
1 1 1 17 18 16 o 35.202  5.25305 6.69754      2.93227  9.12989      2.58193  33.9947     154.384     3.21697     154.384     
1 1 1 17 18 17 o 38.8914 5.09814 8.57011      2.9533   10.5908      2.91313  43.3576     74.9963     15.284      74.9963     
1 1 1 17 18 18 o 33.1602 5.35692 7.36519      2.83226  6.91005      2.51894  33.3347     288.122     6.98307     288.122     
1 1 1 17 18 19 f 22.8591 5.44758 3.8475       2.28283  2.72759      2.30036  10.6767     359.849     0           0           
1 1 1 17 18 20 f 37.0095 4.69271 8.85247      2.60856  8.26108      2.5437   42.5798     327.097     0           0           
1 1 1 17 18 21 o 22.9749 5.21515 5.08612      2.28117  1.38         2.26727  18.1599     124.832     0.847246    304.832     
1 1 1 17 18 22 o 36.3204 4.6626  6.23594      2.44235  10.669       2.52904  40.0193     309.996     14.171      309.996     
1 1 1 17 18 23 o 15.8242 4.96428 -0.364483    2.24347  0.451601     2.56704  3.00372     61.9013     0.0596495   61.9012     
1 1 1 17 18 24 o 29.12   5.73467 6.46336      2.66313  5.47545      2.68769  17.2293     147.311     18.6123     327.311     
1 1 1 17 18 25 o 23.1858 5.60925 5.11908      2.5367   2.19394      2.50678  15.7437     324.296     8.68051     144.296     
1 1 1 17 18 26 o 21.7953 5.44893 2.67985      2.30561  3.80744      2.30158  17.3801     49.5032     1.89681     229.503     
1 1 1 17 18 27 o 17.4563 5.07656 0.761233     2.16386  2.14781      2.26971  10.0739     124.889     8.59226     304.889     
1 1 1 17 18 28 o 31.008  5.4029  5.19578      2.66142  8.72626      2.59863  31.3461     71.2217     6.42974     71.2217     
1 1 1 17 18 29 o 36.4713 4.98311 8.77006      2.78436  9.52499      2.60179  36.6734     234.162     6.06355     234.162     
1 1 1 17 18 30 o 20.521  5.41    3.27611      2.37642  2.69435      2.20719  14.7174     127.495     4.58525     307.495     
1 1 1 17 18 31 o 16.6064 4.94832 1.28825      2.1644   1.33886      2.15446  11.0307     193.413     2.78123     193.413     
1 1 1 17 18 32 o 25.0876 5.50342 6.0631       2.41743  3.77071      2.40464  17.2803     61.1489     10.467      241.149     
1 1 1 17 18 33 o 18.3134 5.26635 3.08587      2.37866  1.23788      2.37897  9.55393     101.244     12.6699     281.244     
1 1 1 17 18 34 o 12.2091 4.09373 -2.40114     2.11585  -0.445791    2.06951  5.66714     309.778     0.800487    129.778     
1 1 1 17 18 35 o 13.9349 4.59792 -1.11998     2.49292  0.0611911    2.39149  6.55053     226.618     1.34415     226.618     
1 1 1 17 18 36 o 15.4856 4.79538 2.54732      2.26295  -2.42473     2.66812  10.5895     177.725     2.06314     177.725     
1 1 1 17 18 37 o 14.4989 4.66512 0.525823     2.28228  0.252174     2.28769  8.70495     78.1111     2.55278     258.111     
1 1 1 17 18 38 o 20.3871 5.32113 -0.334231    2.50494  6.56806      2.72309  17.1859     204.061     9.27406     204.061     
1 1 1 17 18 39 o 12.5982 4.27799 -1.21584     2.51036  -1.63437     2.2967   1.77928     115.802     2.84332     295.802     
1 1 1 17 18 40 o 16.2153 5.00332 2.5274       2.41253  0.445419     2.3952   4.35637     180.254     0.430619    180.254     
1 1 1 17 18 41 o 15.8373 5.07194 0.771367     2.89277  2.01878      2.52233  7.04256     88.2181     1.24487     88.2181     
1 1 1 17 18 42 o 12.3719 4.22748 -2.58867     2.41032  -0.0534208   2.48942  3.79228     322.022     0.338548    142.022     
1 1 1 17 18 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 19 0  o 11.7758 5.40189 0.106234     2.33044  0.106234     2.33044  1.47402     89.9999     1.64406     270         
1 1 1 17 19 1  o 24.3441 5.8127  3.45378      2.70562  3.80059      2.48009  20.248      82.1449     1.92442     262.145     
1 1 1 17 19 2  f 61.8207 3.30086 21.029       3.21631  22.727       3.00286  44.8629     270.014     0           0           
1 1 1 17 19 3  o 19.3372 5.30496 2.91292      2.38383  0.103803     2.35932  10.289      168.061     12.2311     348.061     
1 1 1 17 19 4  o 17.3919 5.17606 1.01454      2.31663  0.346407     2.4171   6.47323     37.5336     15.9769     217.534     
1 1 1 17 19 5  o 49.4674 3.69625 13.8919      2.76535  14.6117      2.77938  52.9035     90.4819     11.4245     90.4819     
1 1 1 17 19 6  o 59.8022 3.3364  16.3307      2.97408  25.2057      2.99628  70.3599     116.363     26.0232     116.363     
1 1 1 17 19 7  o 19.5568 5.39692 2.12082      2.33451  1.47969      2.3775   15.0941     187.936     2.7343      187.936     
1 1 1 17 19 8  o 26.0362 5.56044 3.97843      2.42271  4.69956      2.42243  27.4018     108.738     12.8811     108.738     
1 1 1 17 19 9  f 36.5515 4.75395 6.22549      2.56135  10.4565      2.53338  22.8402     241.959     0           0           
1 1 1 17 19 10 o 15.9473 4.93429 0.247517     2.44167  -0.13703     2.16134  3.74313     152.902     17.4337     332.902     
1 1 1 17 19 11 o 25.8198 5.4597  2.81761      2.52621  5.62853      2.36746  26.3631     18.1797     13.7792     18.1797     
1 1 1 17 19 12 o 35.8729 5.24862 9.58552      2.73324  6.89773      2.873    37.7616     237.015     10.3846     237.015     
1 1 1 17 19 13 o 51.1598 4.90679 12.9961      3.69967  19.7496      3.62923  55.8779     8.28153     15.318      8.28153     
1 1 1 17 19 14 f 13.8691 4.57227 -2.08529     2.14066  -0.908996    2.59578  5.09853     241.013     0           0           
1 1 1 17 19 15 o 24.2392 5.69929 3.27648      2.56308  4.2954       2.45201  21.582      159.006     10.7182     159.006     
1 1 1 17 19 16 o 17.2606 5.14215 1.68379      2.39499  -0.303846    2.36922  8.63873     253.464     4.85883     73.464      
1 1 1 17 19 17 f 19.6134 5.56989 0.747884     2.15005  3.03523      2.99386  3.24156     71.2623     0           0           
1 1 1 17 19 18 o 15.0064 4.74559 -0.806235    2.00617  0.272589     2.46674  4.77071     0.673688    7.33885     180.674     
1 1 1 17 19 19 o 20.9529 5.42616 3.5809       2.1786   1.2234       2.69178  14.8912     293.447     2.56989     113.447     
1 1 1 17 19 20 o 29.5435 5.85778 5.49221      2.83129  6.68745      2.74434  21.8363     100.855     9.2483      280.855     
1 1 1 17 19 21 o 22.8204 5.9632  2.27747      3.07646  4.38602      2.67765  19.7666     345.196     4.72474     345.196     
1 1 1 17 19 22 o 21.633  6.15261 2.90852      3.26633  2.90042      3.01559  14.512      269.074     6.59503     89.0738     
1 1 1 17 19 23 o 29.2141 6.74228 5.79534      4.14847  7.61935      3.16449  23.6894     49.0864     4.58712     229.086     
1 1 1 17 19 24 o 22.9692 5.99156 6.32708      3.27159  1.14984      2.67011  22.5041     0.0843298   9.42183     0.0843298   
1 1 1 17 19 25 o 22.164  6.10439 2.41192      3.48332  4.27427      2.77403  20.1878     354.051     12.8644     354.051     
1 1 1 17 19 26 o 16.3193 5.07575 -0.610173    2.23082  1.81225      2.72811  9.50467     63.4241     6.43108     243.424     
1 1 1 17 19 27 o 20.4162 5.67445 3.03707      2.44354  2.58201      2.81938  11.8436     342.443     11.0278     162.443     
1 1 1 17 19 28 o 27.7512 5.73745 4.22268      2.47109  7.7763       2.86641  31.7516     245.543     20.2668     245.543     
1 1 1 17 19 29 o 17.3975 5.08705 2.30254      2.15476  0.792292     2.39741  11.9537     27.0802     4.38965     27.0802     
1 1 1 17 19 30 o 23.5253 5.3318  2.35108      2.32516  6.07332      2.38414  22.4931     118.637     4.85443     118.637     
1 1 1 17 19 31 o 26.9223 5.63143 5.74605      2.42034  5.85102      2.5789   27.7984     94.1146     8.16575     94.1146     
1 1 1 17 19 32 o 26.4473 4.77869 10.0377      2.58266  -0.210739    2.77223  23.197      115.353     0.936766    295.353     
1 1 1 17 19 33 o 14.0318 4.54055 -0.428822    2.24069  0.337491     2.18296  7.81867     77.6113     4.1912      257.611     
1 1 1 17 19 34 o 15.8809 4.94835 -0.183007    2.65727  1.88036      2.24127  9.93587     320.777     4.20102     140.777     
1 1 1 17 19 35 o 15.697  4.98984 2.50816      2.66924  -1.3001      2.57131  10.4759     304.327     2.47794     304.327     
1 1 1 17 19 36 o 12.4881 4.19431 -1.42665     2.19993  -0.714695    2.1798   4.77849     275.367     5.37632     95.3672     
1 1 1 17 19 37 o 13.921  4.52836 1.27938      2.30133  -1.7158      2.29938  4.9674      59.8631     4.58545     239.863     
1 1 1 17 19 38 o 18.1282 5.31619 1.49696      2.50933  3.56343      2.47993  10.1168     321.295     0.308035    141.295     
1 1 1 17 19 39 o 15.2394 4.86676 1.0733       2.45227  0.997095     2.40772  6.68089     35.67       1.60918     215.67      
1 1 1 17 19 40 o 14.5472 4.7026  0.00816745   2.36595  1.63911      2.38876  7.40999     60.2338     0.269539    240.234     
1 1 1 17 19 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 20 0  o 50.8901 3.70648 15.0127      2.82789  15.0127      2.82789  55.3395     90          12.0782     90          
1 1 1 17 20 1  o 24.3893 5.37447 1.64241      2.41396  5.65993      2.43948  21.6685     213.586     3.69436     213.586     
1 1 1 17 20 2  o 18.4614 5.2949  1.1086       2.35523  1.6193       2.34666  10.1692     227.022     1.87904     227.022     
1 1 1 17 20 3  f 34.5455 4.99015 8.19473      2.57199  6.86567      2.55778  16.8562     90.9487     0           0           
1 1 1 17 20 4  o 15.7758 4.89498 0.201859     2.26802  -0.192455    2.30243  0.264056    279.823     24.5263     99.8227     
1 1 1 17 20 5  o 20.7733 5.4844  3.32619      2.38392  1.26971      2.47551  14.9297     188.519     0.867917    8.51904     
1 1 1 17 20 6  o 15.1596 4.76687 0.671861     2.31479  -1.67344     2.26538  1.80472     1.87581     0.559685    181.876     
1 1 1 17 20 7  o 38.2203 4.5695  9.8519       2.57418  8.20153      2.59631  35.9447     176.377     1.49721     176.377     
1 1 1 17 20 8  o 20.0176 5.48717 2.00012      2.551    2.16689      2.28658  9.26156     252.659     14.091      72.6587     
1 1 1 17 20 9  o 58.3021 3.61821 15.9102      3.23398  24.3656      2.9752   58.6505     54.8772     6.80193     54.8772     
1 1 1 17 20 10 o 51.7454 3.9118  16.1253      3.04034  15.779       3.09539  61.6754     89.5898     26.7354     89.5898     
1 1 1 17 20 11 o 15.4049 4.83387 0.219124     2.19879  -0.685528    2.40403  3.85666     75.2096     13.5475     255.21      
1 1 1 17 20 12 f 76.947  3.29724 33.6625      3.33491  35.0077      4.37364  51.7696     39.4174     0           0           
1 1 1 17 20 13 o 25.134  5.68829 2.82419      2.77854  5.30129      2.43714  22.3986     326.941     4.74572     326.941     
1 1 1 17 20 14 o 37.2658 5.13885 9.32782      2.82038  8.57987      2.86361  31.625      8.77392     5.03164     188.774     
1 1 1 17 20 15 o 16.2975 5.17278 -1.69272     2.95898  0.624827     2.57856  6.4471      236.901     8.78569     56.901      
1 1 1 17 20 16 o 23.0677 6.22498 2.79379      3.07242  4.01306      3.10806  16.9917     338.554     3.28291     158.554     
1 1 1 17 20 17 o 49.3901 5.07027 16.6654      3.19656  14.9111      4.09263  41.4295     287.127     9.78477     107.127     
1 1 1 17 20 18 o 14.9959 4.73958 -0.242375    2.46445  -0.00635177  2.01393  5.92067     251.374     6.83218     71.3743     
1 1 1 17 20 19 o 15.5052 4.86274 -0.385633    2.53107  0.50036      2.1325   5.63578     209.314     11.4971     29.3137     
1 1 1 17 20 20 o 23.5758 6.11832 5.14419      3.11918  2.90043      2.75629  4.63397     319.313     32.9184     139.313     
1 1 1 17 20 21 o 20.4833 5.11826 5.00509      2.36552  -0.825943    2.49018  18.3676     8.51525     5.72693     8.51525     
1 1 1 17 20 22 o 16.2491 4.82448 1.28398      2.09247  0.825373     1.99178  11.1683     294.986     2.83887     294.986     
1 1 1 17 20 23 o 15.13   4.61553 1.46207      2.06098  -0.559516    1.95148  8.29925     51.0665     6.22632     231.066     
1 1 1 17 20 24 o 33.7685 4.82558 5.82422      2.4421   9.89324      2.40324  28.9354     86.4294     3.88901     266.429     
1 1 1 17 20 25 o 27.6996 5.19114 4.08128      2.35565  7.04189      2.29795  29.8279     341.21      12.5462     341.21      
1 1 1 17 20 26 o 13.8493 4.41685 0.28523      2.03887  -0.497837    1.95659  5.87792     101.138     3.06149     281.138     
1 1 1 17 20 27 o 14.254  4.44117 1.43854      2.01617  -1.37739     1.9517   7.75946     279.535     2.33895     99.5346     
1 1 1 17 20 28 o 17.8544 4.88258 -0.552357    2.1282   3.83851      2.18262  9.60815     35.9149     6.13469     35.9149     
1 1 1 17 20 29 o 22.289  5.7113  3.8894       2.82094  4.20239      2.30178  23.6535     209.056     15.4552     209.056     
1 1 1 17 20 30 o 15.5242 4.96054 -0.593381    3.23231  1.07182      2.06323  9.19512     101.791     5.80126     281.791     
1 1 1 17 20 31 o 18.4337 5.62838 2.57609      3.54429  2.16695      2.36907  14.3932     189.981     0.364218    189.981     
1 1 1 17 20 32 o 25.617  6.9895  5.36771      3.94367  9.30346      4.08196  26.1883     169.507     11.0777     169.507     
1 1 1 17 20 33 o 17.188  5.39606 2.15534      2.9204   1.3822       2.78572  12.1271     275.007     1.57859     95.0065     
1 1 1 17 20 34 o 14.8156 4.95393 0.148321     2.66276  -1.0805      3.39322  8.6179      359.198     0.861069    179.198     
1 1 1 17 20 35 o 18.5875 5.56707 -1.29976     2.39839  6.58556      3.44531  9.88366     184.106     4.17014     184.106     
1 1 1 17 20 36 o 23.1089 5.62851 6.64745      2.60632  2.98477      2.5848   19.3743     89.4406     7.66866     89.4406     
1 1 1 17 20 37 f 14.7936 4.78495 1.10071      2.45718  0.0604735    2.44838  2.19129     214.011     0           0           
1 1 1 17 20 38 o 18.1331 5.37736 3.20755      2.51759  2.96683      2.54715  11.9077     133.006     4.55444     133.006     
1 1 1 17 20 39 o 14.3812 4.78713 -0.452748    2.39847  1.53127      2.98831  4.55428     300.247     1.60146     300.247     
1 1 1 17 20 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 21 0  o 36.3231 5.28132 8.47383      2.60969  8.47383      2.60969  40.6471     90          11.587      90          
1 1 1 17 21 1  o 21.71   5.5072  1.58069      2.4147   3.93593      2.42876  13.8213     215.182     7.14002     35.1824     
1 1 1 17 21 2  o 16.2237 4.94215 -0.839134    2.31107  1.25507      2.28312  4.77929     3.99764     13.5482     183.998     
1 1 1 17 21 3  o 13.2555 4.34981 -0.0706178   2.19965  -3.71218     2.24014  2.00528     172.984     7.58081     352.984     
1 1 1 17 21 4  o 54.8918 3.61218 13.5351      2.91293  22.4308      2.94177  64.6117     228.626     26.9622     228.626     
1 1 1 17 21 5  o 19.9559 5.45888 1.31677      2.52434  2.74225      2.33716  12.5155     86.5374     4.1052      266.537     
1 1 1 17 21 6  o 22.4617 5.50889 2.15152      2.3685   4.10467      2.39435  18.0915     256.055     4.40296     256.055     
1 1 1 17 21 7  o 56.4456 3.59732 18.466       3.25784  19.1364      2.90394  61.841      155.291     18.1157     155.291     
1 1 1 17 21 8  o 41.2181 4.52124 10.7433      2.92092  10.3705      2.62662  38.0774     226.586     0.398478    226.587     
1 1 1 17 21 9  o 49.319  4.17363 12.4452      3.06124  17.3628      3.05026  58.3301     153.238     25.7783     153.238     
1 1 1 17 21 10 o 19.4892 5.01613 -2.03271     2.29632  4.62112      2.46585  8.85592     130.59      13.7802     310.59      
1 1 1 17 21 11 o 15.4467 4.76295 1.01926      2.15376  -0.877593    2.20999  5.59826     230.544     8.65717     50.5438     
1 1 1 17 21 12 o 40.6174 4.97974 14.0179      2.72435  7.64405      3.04833  40.0873     109.155     5.91512     109.155     
1 1 1 17 21 13 o 28.833  5.41682 9.62222      2.90064  1.80231      2.79161  32.1966     296.078     19.8649     296.078     
1 1 1 17 21 14 o 35.6576 5.36269 8.52214      2.85727  8.71293      2.85065  36.787      167.541     9.73124     167.541     
1 1 1 17 21 15 o 16.1907 5.02121 -2.26675     3.17405  1.4303       2.10644  5.53338     157.819     0.920108    157.819     
1 1 1 17 21 16 o 18.4132 5.17562 1.07877      2.11692  2.57021      2.31614  13.264      34.4475     1.19076     34.4475     
1 1 1 17 21 17 o 17.4875 4.92181 0.208316     2.08457  2.62014      2.08086  7.82266     25.1315     3.65016     25.1315     
1 1 1 17 21 18 o 13.2781 4.31832 0.064791     2.09677  -1.75128     2.00512  1.16068     237.084     23.7187     237.084     
1 1 1 17 21 19 o 20.6163 5.40389 3.20874      2.33395  2.56858      2.23192  13.5196     173.29      8.11887     353.29      
1 1 1 17 21 20 o 36.179  4.7242  8.62928      2.68155  8.90582      2.3741   37.8577     101.935     9.91683     101.935     
1 1 1 17 21 21 o 27.8181 4.87733 3.03876      2.24096  7.91438      2.23148  22.1477     90.7657     5.29479     270.766     
1 1 1 17 21 22 o 16.8915 4.82336 2.31762      1.99729  0.503616     1.99115  4.10964     6.01832     1.93814     6.01832     
1 1 1 17 21 23 o 15.248  4.56213 -0.818596    1.9543   1.94742      1.95959  5.96369     136.18      0.87269     136.18      
1 1 1 17 21 24 o 21.292  5.10189 4.93792      2.18456  1.3988       2.16465  15.5822     16.9421     4.53534     196.942     
1 1 1 17 21 25 o 14.9302 4.55844 0.102508     1.93864  1.25627      1.93097  9.58193     59.6898     0.548136    59.6897     
1 1 1 17 21 26 o 14.0198 4.41976 -0.262498    1.97395  0.666578     1.92251  9.24544     144.955     0.0228586   144.953     
1 1 1 17 21 27 o 15.2752 4.46367 2.80414      1.95356  -2.86587     2.18427  10.1756     89.88       3.09461     269.88      
1 1 1 17 21 28 o 15.3285 4.74336 1.08554      1.98802  0.622516     2.29956  10.3254     333.048     2.89934     333.048     
1 1 1 17 21 29 o 16.2944 5.02753 2.12134      2.0547   -0.902038    3.25668  10.1505     99.5956     4.56082     279.596     
1 1 1 17 21 30 o 17.7809 4.96419 0.361917     2.14315  3.68977      2.18068  14.3901     173.64      2.9788      173.64      
1 1 1 17 21 31 o 20.6601 5.25611 1.7433       2.34788  5.10554      2.28197  12.2977     122.583     10.4851     302.583     
1 1 1 17 21 32 o 14.7248 4.59732 -0.594018    2.15906  1.77921      2.08034  6.92093     105.577     7.80821     285.577     
1 1 1 17 21 33 o 17.1365 5.1674  2.40957      2.54368  1.70523      2.25588  8.50921     263.637     2.24453     263.637     
1 1 1 17 21 34 o 12.7712 4.26927 -0.920846    2.10342  -0.651503    2.31589  0.579818    118.766     1.16502     298.766     
1 1 1 17 21 35 o 13.5239 4.39536 -1.47352     2.22276  1.08579      2.10981  2.71307     164.2       2.25056     344.2       
1 1 1 17 21 36 o 15.3543 4.94448 2.0493       2.39989  -0.232698    2.99286  7.59152     277.734     4.8398      97.7335     
1 1 1 17 21 37 o 13.5559 4.62697 -1.58864     2.73144  0.229384     3.03971  5.90185     151.638     0.0708121   151.638     
1 1 1 17 21 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 22 0  o 27.8044 6.51149 5.88635      2.47855  5.88635      2.47855  34.3546     270         24.206      270         
1 1 1 17 22 1  o 21.0006 5.42968 1.51842      2.36659  3.79293      2.36997  15.7294     66.4319     0.411121    66.4319     
1 1 1 17 22 2  o 34.8802 5.02293 5.7879       2.60815  10.3944      2.61537  36.6809     320.122     11.7493     320.122     
1 1 1 17 22 3  o 18.7708 5.20574 0.0166901    2.32108  3.16699      2.34401  6.65418     258.745     17.1044     78.7448     
1 1 1 17 22 4  o 25.9308 5.56257 3.9893       2.44031  5.28396      2.42992  14.1222     274.99      17.1468     94.9901     
1 1 1 17 22 5  o 13.5741 4.4404  -1.11716     2.17471  -0.993726    2.20359  3.01944     148.938     3.32664     328.938     
1 1 1 17 22 6  o 38.7239 4.86067 9.89565      2.97825  9.58938      2.59609  39.4417     300.713     8.95043     300.713     
1 1 1 17 22 7  o 20.7385 5.48834 -0.526154    2.73996  4.70313      2.6386   6.02442     297.962     3.51131     297.962     
1 1 1 17 22 8  o 18.9274 5.49413 1.99143      2.57827  1.55101      2.55373  8.41872     213.993     13.5628     33.9925     
1 1 1 17 22 9  o 21.058  5.57844 2.72683      2.32243  3.0295       2.56121  17.2574     234.334     4.81728     234.334     
1 1 1 17 22 10 f 15.2634 4.76455 0.939082     2.13426  -0.99383     2.37465  2.29318     141.021     0           0           
1 1 1 17 22 11 o 17.5693 5.23468 0.893689     2.46172  1.58472      2.38874  10.96       95.3868     3.52313     275.387     
1 1 1 17 22 12 o 21.2743 5.64879 2.96439      2.69239  3.1109       2.34107  10.5088     355.351     15.2914     175.351     
1 1 1 17 22 13 o 25.4602 5.56455 5.61081      2.49293  3.79661      2.36939  19.139      71.3674     6.10934     251.367     
1 1 1 17 22 14 o 16.1814 4.91677 -0.0248668   2.48027  1.36631      2.04207  9.88665     168.064     4.19269     348.064     
1 1 1 17 22 15 o 21.8658 5.6305  1.19736      2.71549  5.09884      2.62242  20.4912     190.642     5.99671     190.642     
1 1 1 17 22 16 o 28.1905 5.56316 4.08116      2.43845  7.76451      2.72894  22.6197     146.819     4.73578     326.819     
1 1 1 17 22 17 o 24.0629 5.23966 2.2966       2.29362  5.94963      2.30268  11.0359     162.226     20.4893     342.226     
1 1 1 17 22 18 o 11.3074 3.76215 -0.137295    1.75655  -3.11984     1.7237   1.986       271.948     8.38084     91.9485     
1 1 1 17 22 19 o 28.0077 5.0059  5.04834      2.17223  6.08226      2.162    19.6422     248.188     10.2846     68.1883     
1 1 1 17 22 20 o 18.1726 4.72877 -0.166169    1.93044  3.79308      2.00405  10.256      228.258     8.56273     48.2576     
1 1 1 17 22 21 o 21.5238 5.18289 4.09759      2.06124  2.66726      2.13765  18.6906     52.9786     2.66189     52.9787     
1 1 1 17 22 22 o 15.0771 4.44467 -0.676214    1.8691   2.03519      1.80697  2.58192     109.985     1.20016     109.985     
1 1 1 17 22 23 o 10.9577 3.67439 -1.50772     1.66938  -1.06092     1.66331  1.86578     37.1446     12.1778     217.145     
1 1 1 17 22 24 o 15.4685 4.58054 1.09343      1.87058  1.2518       1.79707  9.74217     106.145     4.62092     286.145     
1 1 1 17 22 25 o 11.7487 3.86604 -0.0536086   1.77527  -1.46925     1.63302  4.7489      341.232     1.83625     161.232     
1 1 1 17 22 26 o 17.024  4.76464 2.81613      1.94836  0.860636     1.87795  13.3505     73.3544     2.53831     73.3544     
1 1 1 17 22 27 o 17.8335 5.05438 2.66483      2.21804  1.87522      2.00511  13.9598     258.797     1.57401     258.797     
1 1 1 17 22 28 o 25.3084 5.18115 4.08323      2.212    6.21779      2.1736   12.3193     82.3765     20.0108     262.376     
1 1 1 17 22 29 o 13.9786 4.35797 1.62006      1.9351   -0.821363    1.85555  6.67443     169.525     6.70377     349.525     
1 1 1 17 22 30 o 14.507  4.51246 1.99094      2.0325   -1.26052     2.13762  5.35429     87.2867     0.662951    87.2867     
1 1 1 17 22 31 o 16.7707 4.78319 3.77097      2.18347  -0.779393    2.09403  9.13358     310.747     3.81188     130.747     
1 1 1 17 22 32 o 15.2847 4.77565 1.49952      2.34835  0.711054     2.05924  5.03456     208.082     4.72285     28.0817     
1 1 1 17 22 33 f 15.817  5.16388 1.42147      2.42341  0.000184734  3.7329   4.58243     218.381     0           0           
1 1 1 17 22 34 o 14.4066 4.81451 0.862468     2.15902  -1.55968     3.95828  5.83406     131.227     6.76793     311.227     
1 1 1 17 22 35 o 14.1482 4.74129 -0.220188    2.15364  1.10613      3.25616  7.21007     273.448     0.226811    273.448     
1 1 1 17 22 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 23 0  o 59.2437 3.3277  20.3655      2.99045  20.3655      2.99045  77.6236     90          43.7645     90          
1 1 1 17 23 1  o 42.0941 4.34639 12.9419      2.70356  9.82673      2.70699  45.2299     119.802     13.9547     119.802     
1 1 1 17 23 2  o 27.4014 5.2942  3.09062      2.45584  7.57472      2.47794  31.2307     5.64265     20.2188     5.64265     
1 1 1 17 23 3  o 15.8764 4.89116 0.289401     2.25647  0.806912     2.23924  4.03473     157.142     1.38876     157.142     
1 1 1 17 23 4  o 50.9499 3.83091 17.9422      2.86083  14.2759      2.98731  58.2447     332.296     22.8502     332.296     
1 1 1 17 23 5  o 18.9317 5.31263 3.94834      2.66231  -0.256266    2.26319  12.4523     169.416     5.25617     349.416     
1 1 1 17 23 6  o 29.6983 5.27571 2.04475      2.82493  10.6879      2.85827  23.6724     239.194     5.4916      59.1938     
1 1 1 17 23 7  o 22.735  5.86987 2.66018      2.396    4.99412      2.98041  20.2826     80.8022     3.61976     80.8022     
1 1 1 17 23 8  f 49.9853 3.76557 14.8809      2.93738  16.1304      2.74629  30.2516     269.08      0           0           
1 1 1 17 23 9  o 18.6982 5.2096  0.0069095    2.40657  3.49998      2.3531   14.5843     226.567     0.329865    226.567     
1 1 1 17 23 10 o 16.826  4.94643 2.97638      2.36532  -1.82767     2.34968  11.9961     79.0044     0.756328    79.0044     
1 1 1 17 23 11 o 22.1942 4.69134 6.48822      2.26156  -0.932874    2.26661  18.48       130.082     0.163557    310.083     
1 1 1 17 23 12 o 35.708  4.74106 7.59769      2.50723  9.6402       2.50211  36.2087     146.651     8.50962     146.651     
1 1 1 17 23 13 o 17.7254 5.12306 1.15886      2.30791  2.15836      2.17473  1.23474     88.7977     27.521      268.798     
1 1 1 17 23 14 o 17.1554 4.95279 3.42958      2.43836  -1.12966     2.06375  11.1941     269.28      1.3501      89.2796     
1 1 1 17 23 15 o 34.9896 5.35967 9.3793       2.84153  8.316        2.76922  20.3509     306.732     22.4541     126.732     
1 1 1 17 23 16 o 15.9465 4.68824 2.05609      1.88961  -0.262475    2.13663  2.82773     218.993     20.1078     38.9926     
1 1 1 17 23 17 o 15.2534 4.64305 0.779534     1.84118  0.83456      2.10572  8.8666      308.941     2.18388     128.941     
1 1 1 17 23 18 o 23.9249 5.11913 4.75227      2.06912  3.77095      2.04855  15.7543     295.089     10.0282     115.089     
1 1 1 17 23 19 o 17.7084 4.87828 0.957309     1.8414   3.0656       2.08642  8.17496     153.783     5.27097     153.783     
1 1 1 17 23 20 o 12.6842 3.95358 1.0745       1.61906  -1.22376     1.52518  5.8255      112.24      1.15958     112.24      
1 1 1 17 23 21 o 17.3631 4.44865 3.48779      1.76448  0.104463     1.67202  13.3297     263.194     0.785471    83.1938     
1 1 1 17 23 22 o 14.6402 4.3489  0.765185     1.77594  1.14802      1.56396  6.26274     213.423     10.4147     33.4226     
1 1 1 17 23 23 o 12.9911 4.04188 -0.195622    1.71283  0.681429     1.47315  6.39786     236.283     2.71324     56.2831     
1 1 1 17 23 24 o 12.1838 3.72261 -1.87079     1.76164  1.07142      1.20619  5.01338     171.773     2.80845     351.773     
1 1 1 17 23 25 o 10.6984 4.92193 -0.433229    1.31835  -3.40493     0.641937 1.33285     298.451     3.08543     118.451     
1 1 1 17 23 26 o 19.4661 5.27049 2.01758      1.38854  4.76696      3.04381  11.1313     65.5987     9.86176     245.599     
1 1 1 17 23 27 o 21.0538 5.49969 2.80489      1.6561   5.32141      3.09769  18.879      307.473     10.0732     307.473     
1 1 1 17 23 28 o 15.5973 5.0987  1.13549      2.85783  0.0224247    2.92441  7.44465     233.083     1.73853     53.0828     
1 1 1 17 23 29 o 14.4443 4.85372 -0.347773    2.80553  -0.868547    3.07765  2.70572     133.9       1.62137     313.9       
1 1 1 17 23 30 o 20.4603 5.88619 6.63713      3.18029  0.408979     3.42167  11.4998     292.892     4.53768     292.892     
1 1 1 17 23 31 o 20.5803 5.84364 1.49275      2.87569  6.89438      3.17632  14.8921     330.393     0.101445    330.393     
1 1 1 17 23 32 o 15.7473 5.31588 -2.82322     3.66106  3.60798      3.72169  7.92463     94.9944     5.47397     274.994     
1 1 1 17 23 33 o 13.8987 4.80879 -2.27283     2.80092  0.743714     3.79138  7.33555     244.275     2.60166     64.2749     
1 1 1 17 23 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 24 0  o 8.6427  4.27147 -1.61065     2.09751  -1.61065     2.09751  2.07538     270         13.0898     270         
1 1 1 17 24 1  o 18.0967 5.17003 1.10966      2.24508  2.5278       2.26978  13.2746     289.501     1.91894     289.501     
1 1 1 17 24 2  o 31.0972 5.20656 8.92905      2.54285  5.00656      2.48253  23.2203     91.9735     8.65939     271.973     
1 1 1 17 24 3  f 23.773  5.56092 3.06623      2.52541  5.25643      2.38468  24.2573     11.3892     0           0           
1 1 1 17 24 4  o 15.6697 4.85787 0.432764     2.31501  0.711804     2.17866  8.76067     272.876     2.53827     92.8756     
1 1 1 17 24 5  o 22.8764 5.53539 1.8526       2.84299  5.38174      2.36888  17.4929     318.3       2.69478     138.3       
1 1 1 17 24 6  o 15.611  4.82092 -2.36287     2.14704  2.50415      2.53208  8.12011     208.096     0.0783418   208.096     
1 1 1 17 24 7  o 35.8757 5.10394 9.01922      2.53289  9.05045      2.90321  30.2641     317.728     3.43435     137.728     
1 1 1 17 24 8  o 17.2269 5.13788 1.20756      2.32168  1.65591      2.34573  9.13519     7.0708      7.32101     187.071     
1 1 1 17 24 9  f 19.02   5.16187 0.739166     2.36072  3.58042      2.18518  16.137      285.022     0           0           
1 1 1 17 24 10 o 13.4393 4.31688 -1.99737     2.08186  0.735161     1.97846  5.03184     28.3304     5.68975     208.33      
1 1 1 17 24 11 o 21.347  5.4776  1.74575      2.61873  4.6925       2.3677   10.1913     229.958     15.6825     49.9584     
1 1 1 17 24 12 o 19.4343 5.0179  -0.808884    2.2491   4.98335      2.37878  16.6704     293.057     6.73914     293.057     
1 1 1 17 24 13 o 20.2728 5.2584  3.98069      2.21202  1.91073      2.23456  14.2777     147.885     4.69254     327.885     
1 1 1 17 24 14 o 16.7482 4.79542 0.842113     2.07578  2.22473      1.87491  10.4922     24.5072     5.30503     204.507     
1 1 1 17 24 15 o 19.802  5.05368 3.20686      1.94519  2.51438      2.03187  7.68464     198.28      18.7253     18.2804     
1 1 1 17 24 16 o 18.6115 4.81241 2.94876      1.84463  1.93143      1.78455  13.2248     353.92      4.07398     173.92      
1 1 1 17 24 17 o 20.2251 4.76756 2.40049      1.79822  3.57478      1.74673  7.32536     174.933     20.2755     354.933     
1 1 1 17 24 18 o 21.6948 6.62352 4.66931      5.87072  4.25003      3.01825  15.2934     216.832     4.96499     36.8319     
1 1 1 17 24 19 o 11.067  3.38539 0.803112     1.01916  -1.58386     1.40358  2.75982     74.8921     1.49147     254.892     
1 1 1 17 24 20 o 21.3478 6.03947 5.78567      3.14585  2.18117      3.15131  15.1206     321.806     4.55721     141.805     
1 1 1 17 24 21 o 22.2177 6.12193 2.79444      3.1518   6.31138      3.15659  15.742      213.768     5.12354     33.7677     
1 1 1 17 24 22 o 16.0925 5.17187 -1.37228     2.88024  2.53108      2.91107  7.53693     344.422     3.12515     344.422     
1 1 1 17 24 23 f 23.1748 6.00596 1.89248      3.15838  8.06409      3.17547  12.2396     151.081     0           0           
1 1 1 17 24 24 f 24.0335 6.38269 6.5838       3.18322  5.38854      3.27136  23.9021     176.642     0           0           
1 1 1 17 24 25 o 23.2694 6.35758 5.36592      3.18761  6.05175      3.28236  20.1017     112.42      6.25371     112.42      
1 1 1 17 24 26 o 18.6375 5.67391 4.62245      3.09497  0.538523     3.09026  10.3284     84.4217     1.46101     84.4217     
1 1 1 17 24 27 o 13.3547 4.55014 -0.0962536   2.76206  -3.41277     2.89974  2.02781     211.526     4.49974     31.526      
1 1 1 17 24 28 f 16.4655 5.31055 1.76482      2.94526  1.23255      3.02916  15.6708     316.801     0           0           
1 1 1 17 24 29 o 14.1667 4.80875 0.0792959    3.02456  -0.997465    3.06504  5.51654     282.544     3.93179     102.544     
1 1 1 17 24 30 o 16.2245 5.26523 0.101583     3.01001  3.37755      3.08415  7.75293     162.957     2.80971     162.957     
1 1 1 17 24 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 24 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 25 0  f 12.5041 5.56052 1.07046      2.24566  1.07046      2.24566  12.9162     270         0           0           
1 1 1 17 25 1  o 21.8822 5.50568 4.70493      2.43485  2.63198      2.3383   16.5602     156.096     2.84531     336.096     
1 1 1 17 25 2  o 26.4412 5.43754 7.26832      2.45203  3.52897      2.57624  23.9013     351.541     3.00083     351.541     
1 1 1 17 25 3  o 19.5084 5.27595 1.53382      2.2867   3.71757      2.28728  12.554      142.962     6.58183     322.962     
1 1 1 17 25 4  o 15.8984 4.71035 -4.51055     2.64259  3.13444      2.22946  10.3903     346.6       3.24942     346.6       
1 1 1 17 25 5  o 17.9644 5.44337 1.98357      2.66842  1.65508      2.71468  13.6444     267.455     6.02717     267.455     
1 1 1 17 25 6  o 28.6059 5.47005 7.22011      2.43639  5.45691      2.57059  21.9214     323.95      6.13669     143.95      
1 1 1 17 25 7  o 18.4627 5.31983 0.865569     2.43091  3.40422      2.49108  14.6932     196.21      1.02402     196.21      
1 1 1 17 25 8  o 18.0177 5.25866 2.77652      2.44493  1.29557      2.33002  15.466      42.0472     6.79525     42.0472     
1 1 1 17 25 9  o 16.4266 4.86534 2.6436       2.19757  -0.288153    2.1596   10.3989     165.203     4.91152     345.203     
1 1 1 17 25 10 o 15.8024 4.85276 0.516654     2.33232  1.41619      2.10315  10.2656     265.558     4.40879     265.558     
1 1 1 17 25 11 o 45.2057 4.01781 14.6168      2.68117  12.4745      2.75332  39.0655     99.4928     3.42766     279.493     
1 1 1 17 25 12 o 19.048  5.19844 3.6066       2.36558  1.8032       1.983    11.5649     255.348     8.05388     75.348      
1 1 1 17 25 13 o 15.3392 4.50225 2.40268      1.94591  -0.309055    1.71641  7.60293     123.113     8.39472     303.113     
1 1 1 17 25 14 o 13.8675 4.12733 2.10842      1.72294  -1.61284     1.62406  6.44948     266.448     6.97721     86.4478     
1 1 1 17 25 15 o 21.4954 5.33244 2.28293      2.29972  5.12322      2.30776  12.6266     73.0291     10.6829     253.029     
1 1 1 17 25 16 f 16.236  5.23843 -1.46097     3.07008  2.28801      2.95657  6.26471     281.247     0           0           
1 1 1 17 25 17 o 20.5556 5.99497 4.79944      3.1119   2.65162      3.13981  11.6562     29.2958     10.2789     209.296     
1 1 1 17 25 18 f 26.5868 5.9866  2.77555      3.15404  10.4211      3.27651  24.505      185.532     0           0           
1 1 1 17 25 19 o 41.824  5.89353 15.0446      3.70074  14.2405      3.62436  45.6778     354.892     18.1136     354.892     
1 1 1 17 25 20 f 13.2013 4.51444 -1.13641     2.76955  -2.57455     2.8504   4.2789      159.388     0           0           
1 1 1 17 25 21 o 16.8317 5.37756 1.94763      2.97764  1.1569       2.97357  8.19548     346.072     2.00943     346.072     
1 1 1 17 25 22 o 15.6194 5.11185 1.52102      2.89566  -0.594916    2.99239  2.41103     236.069     0.0852509   236.069     
1 1 1 17 25 23 o 19.3214 5.87466 1.90099      3.09818  4.68917      3.29394  10.1366     270.124     6.71278     90.1237     
1 1 1 17 25 24 o 21.9214 6.16121 3.21133      3.20439  6.68114      3.2524   15.0929     63.7791     5.77678     63.7791     
1 1 1 17 25 25 o 19.4124 5.59613 -1.75786     3.14849  6.83728      3.13713  12.9215     214.042     0.948922    214.042     
1 1 1 17 25 26 o 28.7822 6.74164 9.14499      3.47053  10.0601      3.50245  28.4486     70.2296     11.4561     70.2296     
1 1 1 17 25 27 o 17.2523 5.48761 3.85368      3.09907  1.44447      3.09833  10.708      35.8981     3.03037     215.898     
1 1 1 17 25 28 o 16.9585 5.5022  2.80036      3.22257  2.15035      3.32164  8.61565     18.9763     9.12436     198.976     
1 1 1 17 25 29 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 26 0  o 22.5006 7.48246 5.35887      2.91503  5.35887      2.91503  26.6485     90          16.3974     90          
1 1 1 17 26 1  o 30.7662 5.23994 5.0611       2.49732  9.78413      2.59339  33.2902     135.927     14.4886     135.927     
1 1 1 17 26 2  o 15.917  4.8999  1.24134      2.17126  1.0069       2.33254  10.6036     284.957     0.520058    104.957     
1 1 1 17 26 3  o 16.6482 5.1203  2.81919      2.70034  -0.131396    2.26799  11.5227     21.9501     0.307523    201.95      
1 1 1 17 26 4  o 22.3745 5.63814 -0.204852    2.75224  7.9147       3.0957   17.0126     299.381     2.6188      119.381     
1 1 1 17 26 5  o 18.7483 5.12123 4.45449      2.34636  -0.0798081   2.38104  10.2536     0.807268    9.79637     180.807     
1 1 1 17 26 6  o 15.1436 4.74712 1.89117      2.28303  -0.955823    2.28623  6.0156      57.5874     2.18886     57.5873     
1 1 1 17 26 7  o 15.657  4.84711 2.20711      2.34452  -0.519696    2.25153  8.42114     18.579      2.77534     18.579      
1 1 1 17 26 8  o 17.1822 5.04959 1.86837      2.23473  1.96788      2.17125  12.2518     326.709     0.531795    326.709     
1 1 1 17 26 9  o 13.3941 4.27864 0.752195     1.90881  -0.740855    1.90345  6.19037     239.051     4.15812     59.0508     
1 1 1 17 26 10 o 10.4654 3.5599  -1.51886     1.71319  -1.71733     1.65634  0.950408    105.67      16.0432     105.67      
1 1 1 17 26 11 o 13.4194 4.22125 0.404753     1.75888  0.270106     1.75022  6.20653     256.862     4.47542     76.8617     
1 1 1 17 26 12 o 15.4179 4.63644 1.09342      1.75473  1.45057      2.09051  4.06147     289.347     16.1172     109.347     
1 1 1 17 26 13 o 8.52831 2.89172 -2.16478     1.31708  -0.63566     0.951224 0.0219862   296.276     3.38188     116.276     
1 1 1 17 26 14 o 15.3602 5.32517 -2.66699     4.72858  -1.56542     3.88291  7.13355     126.875     1.74522     126.875     
1 1 1 17 26 15 o 18.1257 5.72338 3.86938      3.00778  -1.65254     4.55475  13.0735     311.296     1.87062     311.296     
1 1 1 17 26 16 f 16.7764 5.37395 0.642667     2.96591  2.23953      3.04122  24.3384     194.744     0           0           
1 1 1 17 26 17 o 15.3984 4.96521 -4.02302     2.84391  3.15881      2.86429  4.21819     349.655     0.206672    349.655     
1 1 1 17 26 18 f 23.6094 5.54832 -1.21847     3.10561  9.88474      3.19573  12.2617     329.555     0           0           
1 1 1 17 26 19 o 18.3168 5.68268 3.06743      3.06058  2.23661      3.10874  8.7394      352.897     6.55693     172.897     
1 1 1 17 26 20 o 19.5761 5.76252 0.187173     3.05779  6.1071       3.20294  11.5564     336.081     0.959233    336.081     
1 1 1 17 26 21 o 17.4402 5.52665 3.23946      3.09928  1.01883      3.11442  6.5999      341.947     1.08478     341.947     
1 1 1 17 26 22 o 19.7182 5.73245 6.90655      3.17379  -0.0605995   3.17553  13.8705     272.381     2.7789      272.381     
1 1 1 17 26 23 o 18.2492 5.70956 4.1856       3.19326  2.69588      3.1745   8.72611     219.904     10.1998     39.9045     
1 1 1 17 26 24 o 15.4048 5.09444 2.44823      3.08854  -0.337286    2.97425  4.65723     85.7062     1.67886     85.7062     
1 1 1 17 26 25 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 26 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 27 0  o 24.7112 6.78088 5.61291      2.45444  5.61291      2.45444  29.8856     90          16.566      90          
1 1 1 17 27 1  o 49.5691 3.99667 15.7124      3.03127  17.7486      2.92999  53.7472     163.363     20.2755     163.363     
1 1 1 17 27 2  o 25.3366 5.69275 4.268        2.60131  7.11378      2.59197  21.9493     126.255     2.5205      126.255     
1 1 1 17 27 3  o 15.7585 5.15291 1.02259      2.97532  0.150027     2.91748  8.96262     111.74      3.6763      291.74      
1 1 1 17 27 4  o 27.6838 6.18999 5.47269      2.66852  9.18696      3.29641  21.3964     31.8365     3.57071     211.837     
1 1 1 17 27 5  o 25.5584 5.87779 4.92478      2.71457  6.99839      2.69793  21.9865     257.79      2.24302     257.79      
1 1 1 17 27 6  o 14.9547 4.6501  1.3276       2.08416  0.493601     2.07395  8.61334     143.216     1.38727     323.216     
1 1 1 17 27 7  o 17.121  4.9836  1.78499      2.08712  2.3383       2.15227  11.3535     199.526     1.12188     19.5263     
1 1 1 17 27 8  o 20.1363 5.18377 2.75336      2.10833  3.92085      2.10647  12.9466     348.615     5.61214     168.615     
1 1 1 17 27 9  o 17.465  4.93042 3.2801       2.15438  1.15569      1.93581  11.0315     275.384     1.70368     95.3839     
1 1 1 17 27 10 f 9.81812 3.3309  -1.7854      1.54549  -1.02443     1.38156  5.72219     86.8581     0           0           
1 1 1 17 27 11 o 25.3327 4.61674 9.25177      2.38392  0.772096     2.25914  19.0878     99.8184     14.1322     99.8184     
1 1 1 17 27 12 o 17.1831 5.44979 -0.193835    3.18625  3.21292      3.01626  8.2765      123.279     4.59564     303.279     
1 1 1 17 27 13 o 25.4476 7.08808 11.6731      4.57292  4.73433      3.8756   19.8456     115.869     2.07364     115.869     
1 1 1 17 27 14 o 20.0225 6.24128 5.04435      3.24097  1.5211       5.57151  11.35       249.236     0.944186    69.2361     
1 1 1 17 27 15 o 17.2105 5.48491 2.44021      3.03452  1.35849      3.13282  2.6084      353.511     0.277068    353.511     
1 1 1 17 27 16 o 18.7428 5.83391 4.1681       3.31211  2.05272      3.28906  10.6431     305.424     0.406329    125.424     
1 1 1 17 27 17 o 25.2158 6.3124  4.40292      3.32351  9.5867       3.33592  21.4919     25.8835     5.09616     25.8835     
1 1 1 17 27 18 o 17.8511 5.57893 4.50433      3.09856  1.01964      3.14375  10.7472     181.682     1.33587     1.68206     
1 1 1 17 27 19 o 19.0403 5.74156 1.25096      3.19958  6.06438      3.14892  12.2012     52.4846     3.37865     232.485     
1 1 1 17 27 20 o 16.7702 5.36476 -0.0731082   3.03214  4.26937      3.11542  11.0357     30.9839     1.70101     30.984      
1 1 1 17 27 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 27 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 28 0  o 8.93509 4.40355 -1.20348     2.18594  -1.20348     2.18594  0.101547    269.999     0.393199    269.999     
1 1 1 17 28 1  o 16.5715 4.9776  -0.757064    2.40629  3.44537      2.39957  5.19322     137.858     1.03976     317.858     
1 1 1 17 28 2  o 28.8548 6.53481 9.27632      3.77072  7.7148       2.8641   26.9156     317.197     11.9597     317.197     
1 1 1 17 28 3  o 17.6433 5.28575 1.1363       2.19493  3.64521      2.78086  7.3642      100.919     7.21719     280.919     
1 1 1 17 28 4  o 21.4163 5.32707 5.90228      2.41643  1.88912      2.34843  14.0191     4.02613     4.48468     4.02613     
1 1 1 17 28 5  o 14.4383 4.48113 2.06639      2.03803  -1.04938     2.00602  1.37685     181.405     1.14687     1.40461     
1 1 1 17 28 6  o 14.744  4.5842  1.08869      2.03063  0.819524     1.99307  3.93025     326.024     5.98104     146.024     
1 1 1 17 28 7  o 16.3952 4.81668 0.649221     2.04413  2.79515      2.09058  6.77269     244.794     4.05598     64.7943     
1 1 1 17 28 8  o 20.7776 5.85833 3.73213      2.43053  4.81027      3.24416  11.4909     155.62      4.82086     155.62      
1 1 1 17 28 9  o 16.3812 5.06865 -0.0121946   1.79649  4.00681      2.96886  7.06421     337.516     1.94347     157.516     
1 1 1 17 28 10 o 14.3691 5.04419 -9.92695     7.22638  -0.748286    2.8302   2.80414     51.3677     1.41912     231.368     
1 1 1 17 28 11 o 20.7453 5.73239 8.72427      3.33909  -1.98302     3.34     15.3279     268.145     3.42002     268.145     
1 1 1 17 28 12 o 12.6684 4.37901 -4.20893     2.85673  -0.233742    2.84935  2.53401     85.032      2.74527     265.032     
1 1 1 17 28 13 o 17.5233 5.77959 5.46585      4.33204  0.980868     3.15905  10.116      315.669     2.03817     315.669     
1 1 1 17 28 14 o 15.4705 5.21302 1.51155      2.97958  -0.309694    4.17462  8.01098     33.3527     0.0175063   213.355     
1 1 1 17 28 15 o 15.2785 5.06512 0.650337     2.94657  1.45646      3.05828  6.71711     329.503     1.99942     329.503     
1 1 1 17 28 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 28 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 28 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 29 0  o 14.3604 5.96733 2.4341       2.23192  2.4341       2.23192  7.96421     90          0.441002    270         
1 1 1 17 29 1  o 20.2519 5.63079 7.59321      3.08863  0.974467     2.5197   15.9469     168.422     4.12972     168.422     
1 1 1 17 29 2  o 12.3916 4.23272 -0.460195    2.0867   -2.44161     2.95206  3.17879     329.586     2.02296     149.586     
1 1 1 17 29 3  o 21.0752 6.05893 4.16369      2.59007  6.6939       3.57137  15.0887     203.929     1.34685     23.9288     
1 1 1 17 29 4  o 14.6231 4.85778 -1.37802     2.14832  3.13125      3.19003  7.01814     184.416     0.487945    4.41596     
1 1 1 17 29 5  o 16.5609 5.26486 1.44708      2.22188  3.42539      3.34227  7.46831     178.563     9.41617     358.563     
1 1 1 17 29 6  o 14.452  4.79347 -1.78935     1.93253  3.57163      3.14501  4.94933     314.831     1.19993     314.831     
1 1 1 17 29 7  o 16.9046 4.98871 -3.64033     1.80934  7.24921      3.08227  10.4143     97.2771     4.88967     97.2771     
1 1 1 17 29 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 29 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 29 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 17 29 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 0  0  o 242.156 3.01508 319.939      11.2352  319.939      11.2352  282.969     180         44.5905     180         
1 1 1 18 0  1  o 111.192 2.55686 67.6429      4.36744  67.6429      4.36744  115.076     270         9.2298      90          
1 1 1 18 0  2  o 21.5413 7.38385 3.76563      2.86179  3.76563      2.86179  10.3961     8.65203e-06 43.6842     8.65203e-06 
1 1 1 18 0  3  o 101.706 2.6497  56.6538      4.13705  56.6538      4.13705  123.128     270         27.3479     270         
1 1 1 18 0  4  o 10.9948 5.28056 -1.44714     2.69881  -1.44714     2.69881  3.23069     180         7.31159     180         
1 1 1 18 0  5  o 123.179 2.47619 82.9504      4.6883   82.9504      4.6883   144.877     270         24.754      270         
1 1 1 18 0  6  o 150.986 2.31209 124.483      5.36997  124.483      5.36997  161.572     0           1.57483     180         
1 1 1 18 0  7  o 79.565  3.49921 34.9901      4.24883  34.9901      4.24883  93.0159     270         14.9857     270         
1 1 1 18 0  8  o 12.7661 5.96785 -0.6742      3.05043  -0.6742      3.05043  4.83971     180         12.0509     180         
1 1 1 18 0  9  o 38.7762 6.5741  9.55429      3.40472  9.55429      3.40472  31.3555     90          16.5921     270         
1 1 1 18 0  10 o 11.4078 5.49575 -1.69644     2.97029  -1.69644     2.97029  11.9222     8.65128e-06 28.9191     8.65128e-06 
1 1 1 18 0  11 f 153.88  2.63499 129.467      6.23557  129.467      6.23557  147.258     90          0           0           
1 1 1 18 0  12 o 35.0638 6.08035 7.85611      2.8431   7.85611      2.8431   25.501      180         18.9326     8.65171e-06 
1 1 1 18 0  13 o 12.4688 5.68858 0.00807143   2.53735  0.00807143   2.53735  4.18739     90          10.6719     90          
1 1 1 18 0  14 o 89.7598 2.76577 44.259       3.80629  44.259       3.80629  77.5644     360         36.9996     180         
1 1 1 18 0  15 o 45.8191 5.07221 12.357       3.31716  12.357       3.31716  54.3241     270         14.7236     270         
1 1 1 18 0  16 o 39.1649 8.56577 10.6683      4.52182  10.6683      4.52182  32.9338     180         13.5704     8.65181e-06 
1 1 1 18 0  17 o 15.8626 7.22962 0.161615     4.08478  0.161615     4.08478  0.417966    89.9992     1.43238     89.9992     
1 1 1 18 0  18 o 13.9056 6.33151 0.120351     3.12306  0.120351     3.12306  12.0574     180         34.9576     180         
1 1 1 18 0  19 o 97.8779 3.08423 52.7833      4.62751  52.7833      4.62751  133.856     90          59.2285     90          
1 1 1 18 0  20 o 123.623 2.79161 83.9161      5.30196  83.9161      5.30196  170.54      0           78.0648     0           
1 1 1 18 0  21 o 40.8376 4.39087 9.80693      2.57223  9.80693      2.57223  45.6864     90          5.17575     90          
1 1 1 18 0  22 o 94.5465 2.62975 49.1847      3.81521  49.1847      3.81521  102.371     180         4.08783     180         
1 1 1 18 0  23 o 14.0792 6.01609 1.1466       2.39107  1.1466       2.39107  5.03481     90          29.8015     90          
1 1 1 18 0  24 o 72.5989 3.49076 29.4571      3.86038  29.4571      3.86038  82.2557     180         10.8557     180         
1 1 1 18 0  25 o 12.6107 5.64086 0.461248     2.34897  0.461248     2.34897  0.34411     90          9.29382     90          
1 1 1 18 0  26 o 14.7168 6.25083 1.36155      2.55005  1.36155      2.55005  0.229959    180         23.9584     8.65132e-06 
1 1 1 18 0  27 o 17.0893 6.31993 2.45632      2.18224  2.45632      2.18224  0.761265    270         32.2855     90          
1 1 1 18 0  28 o 12.0968 5.37913 0.520254     2.10128  0.520254     2.10128  0.0343125   180         3.68336     8.65065e-06 
1 1 1 18 0  29 o 46.5556 3.6922  12.4812      2.56156  12.4812      2.56156  48.728      270         0.307968    90          
1 1 1 18 0  30 o 110.289 2.70106 67.2761      4.57478  67.2761      4.57478  141.23      360         51.2642     360         
1 1 1 18 0  31 o 13.5686 5.82503 1.11792      2.26369  1.11792      2.26369  4.03201     89.9999     4.07473     270         
1 1 1 18 0  32 o 10.5791 4.95751 -0.363274    2.1258   -0.363274    2.1258   1.20616     360         5.875       180         
1 1 1 18 0  33 o 56.2383 3.29333 17.9705      2.80547  17.9705      2.80547  75.3566     270         33.481      270         
1 1 1 18 0  34 o 8.14674 4.04958 -1.99502     1.96678  -1.99502     1.96678  0.390636    180         1.82774     180         
1 1 1 18 0  35 o 50.1308 3.55822 14.5304      2.67842  14.5304      2.67842  54.5874     270         5.09427     270         
1 1 1 18 0  36 o 12.0354 5.38418 0.576953     2.14077  0.576953     2.14077  9.90547     180         43.4138     180         
1 1 1 18 0  37 o 37.7644 4.78183 8.89898      2.51555  8.89898      2.51555  39.5611     270         1.05085     270         
1 1 1 18 0  38 o 6.68936 3.45199 -4.72521     2.13407  -4.72521     2.13407  0.590381    8.65132e-06 1.71307     8.65131e-06 
1 1 1 18 0  39 o 15.5171 6.29057 2.14767      2.38523  2.14767      2.38523  4.06208     270         1.1035      270         
1 1 1 18 0  40 o 13.3509 5.77658 1.29554      2.26462  1.29554      2.26462  7.1102      360         1.10213     180         
1 1 1 18 0  41 o 9.48253 4.69203 -1.93496     2.55212  -1.93496     2.55212  0.00601292  90          15.5213     270         
1 1 1 18 0  42 o 19.9287 7.22529 4.04987      2.81401  4.04987      2.81401  23.8939     0           12.5671     0           
1 1 1 18 0  43 o 10.7644 5.07501 -0.12523     2.28508  -0.12523     2.28508  3.67076     270         27.52       270         
1 1 1 18 0  44 o 8.30022 4.15614 -2.19932     2.19741  -2.19932     2.19741  0.0440893   8.65183e-06 8.66596     8.65188e-06 
1 1 1 18 0  45 o 11.0564 5.18216 0.152715     2.3246   0.152715     2.3246   4.70888     270         0.604224    270         
1 1 1 18 0  46 o 12.9639 6.17384 0.355872     3.53885  0.355872     3.53885  6.78769     180         1.90103     180         
1 1 1 18 0  47 o 9.97671 4.88977 -1.1155      2.59858  -1.1155      2.59858  0.447705    270         0.30598     90.0001     
1 1 1 18 0  48 o 12.2389 5.55253 1.06084      2.37427  1.06084      2.37427  1.78675     0           0.374966    0           
1 1 1 18 0  49 o 16.4123 6.64754 3.15429      2.66017  3.15429      2.66017  10.1463     90          11.4107     270         
1 1 1 18 0  50 o 18.8215 6.89494 4.05178      2.57996  4.05178      2.57996  16.6558     180         2.34978     180         
1 1 1 18 0  51 o 8.05731 4.07285 -2.44742     2.3017   -2.44742     2.3017   0.22903     90          1.47565     90          
1 1 1 18 0  52 o 13.8856 5.99651 2.26059      2.43     2.26059      2.43     0.224346    3.34159e-05 0.101927    3.34159e-05 
1 1 1 18 0  53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 1  0  o 9.73924 4.82159 -2.7712      2.70525  -2.7712      2.70525  23.5141     8.65331e-06 51.3552     8.65331e-06 
1 1 1 18 1  1  o 171.29  2.24261 160.013      5.91403  160.335      5.91654  169.929     250.477     25.2886     70.4765     
1 1 1 18 1  2  o 132.176 2.40781 90.6864      4.90859  100.337      4.87692  101.902     142.902     76.8284     322.902     
1 1 1 18 1  3  o 97.953  2.70687 53.9408      4.05618  51.1332      4.09072  92.2599     93.6764     20.1994     273.676     
1 1 1 18 1  4  o 47.9043 4.40186 13.6776      3.17541  12.0171      3.15404  45.5885     64.1137     20.4896     64.1137     
1 1 1 18 1  5  o 29.9606 6.04369 6.00727      2.96717  4.19838      2.9334   6.27329     118.813     63.4148     118.813     
1 1 1 18 1  6  o 28.138  6.41897 4.99134      3.27881  3.62462      3.07654  34.4467     58.3563     121.203     58.3563     
1 1 1 18 1  7  o 61.1574 4.28449 22.1948      4.41099  19.4243      3.54828  44.446      330.956     34.778      150.956     
1 1 1 18 1  8  f 85.0576 3.3435  44.5696      4.37989  35.2771      4.30547  56.5167     283.516     0           0           
1 1 1 18 1  9  o 120.399 2.856   77.3365      5.31408  81.5627      5.25643  107.136     280.1       40.7515     100.1       
1 1 1 18 1  10 o 68.6777 3.7188  28.2521      3.92608  23.9783      3.86301  57.0483     299.165     27.313      119.165     
1 1 1 18 1  11 o 66.3697 3.4991  24.0868      3.5343   24.567       3.56651  47.0468     90.25       42.6312     270.25      
1 1 1 18 1  12 o 109.532 2.70864 66.6484      4.60483  64.889       4.51843  116.282     336.28      2.14125     336.28      
1 1 1 18 1  13 o 101.095 2.81921 53.5641      4.36724  58.6745      4.38698  108.966     206.891     6.27525     206.891     
1 1 1 18 1  14 o 77.6647 3.69836 36.6103      4.69975  30.3005      4.10151  90.4034     352.24      22.1395     352.24      
1 1 1 18 1  15 o 29.9786 6.62712 5.64478      3.41494  4.51639      3.39959  2.36983     334.411     57.9525     334.411     
1 1 1 18 1  16 o 28.5375 6.31784 0.909998     3.31239  7.52824      3.53611  7.11149     336.52      3.69633     156.52      
1 1 1 18 1  17 o 65.7979 4.35295 22.4215      4.52895  26.1693      4.11472  61.6133     217.556     10.4173     37.5557     
1 1 1 18 1  18 o 25.8532 6.4048  3.85456      3.54425  3.12879      2.75246  7.45558     153.376     18.7159     333.376     
1 1 1 18 1  19 o 57.6263 4.01525 17.7509      3.73518  19.5135      3.24014  79.5068     124.93      51.6306     124.93      
1 1 1 18 1  20 o 56.9847 3.81937 18.8103      3.46586  17.598       3.15717  53.4623     315.065     8.44676     135.065     
1 1 1 18 1  21 o 71.9203 3.22334 31.4011      3.6838   26.1848      3.4159   76.6365     339.394     4.80407     339.395     
1 1 1 18 1  22 o 18.8378 5.48507 0.196435     2.58523  1.32827      2.58134  1.40672     349.629     31.2208     349.629     
1 1 1 18 1  23 o 28.6626 5.23209 6.91792      2.45032  2.8389       2.42769  22.0653     359.795     7.77444     179.795     
1 1 1 18 1  24 o 18.2209 5.28619 1.07605      2.55442  0.638678     2.18314  7.70236     187.629     5.69183     7.6293      
1 1 1 18 1  25 o 56.2601 3.35529 16.8996      2.85836  18.7333      2.89646  48.5994     167.538     19.0989     347.538     
1 1 1 18 1  26 o 32.7447 5.405   7.51206      2.52767  5.45848      2.86188  34.8224     132.19      8.02093     132.19      
1 1 1 18 1  27 o 18.8431 5.35545 1.98509      2.21963  -0.0980535   2.72207  8.45993     298.444     12.4433     118.444     
1 1 1 18 1  28 o 14.3962 4.57228 -1.78748     2.08031  0.0250881    2.20094  2.55012     118.922     8.58418     298.923     
1 1 1 18 1  29 o 26.8712 5.15949 5.86188      2.27976  2.95204      2.24728  3.32223     209.718     46.334      29.7175     
1 1 1 18 1  30 o 52.5489 3.29675 14.7922      2.62735  16.628       2.6456   66.5809     106.966     26.5705     106.966     
1 1 1 18 1  31 o 41.2647 4.0543  9.49777      2.47125  10.4641      2.54001  52.3797     103.993     22.7364     103.993     
1 1 1 18 1  32 o 19.533  5.05777 3.39515      2.18533  -0.0367764   2.13911  2.43452     272.393     32.546      92.3931     
1 1 1 18 1  33 o 41.4045 4.04642 12.0016      2.47068  8.44         2.47248  41.3517     354.006     1.27093     174.006     
1 1 1 18 1  34 o 57.5615 3.32354 18.0689      3.00701  20.1896      2.80652  62.5355     10.2528     7.2055      10.2528     
1 1 1 18 1  35 o 18.9628 5.23304 0.759538     2.31123  2.5114       2.21858  13.5439     251.042     3.88658     251.042     
1 1 1 18 1  36 o 24.3981 5.46517 2.81694      2.3849   4.82424      2.33732  16.3196     333.425     13.1371     153.425     
1 1 1 18 1  37 o 19.8551 5.03781 -0.685882    2.26759  4.16102      2.26344  13.8819     192.636     5.89679     12.6357     
1 1 1 18 1  38 o 23.1009 5.52498 1.12443      2.761    5.23177      2.44561  14.9976     101.439     12.8374     281.439     
1 1 1 18 1  39 f 20.3307 5.45662 3.37006      2.41237  1.55161      2.39484  3.6383      358.06      0           0           
1 1 1 18 1  40 o 24.4801 5.56323 5.21571      2.4266   3.2878       2.43221  18.9895     123.379     8.30601     303.379     
1 1 1 18 1  41 o 14.412  4.73631 -0.448948    2.52736  -1.53667     2.56154  9.72553     143.351     1.28307     323.351     
1 1 1 18 1  42 o 13.6954 4.52019 -0.50389     2.34661  -1.73732     2.37452  7.86355     160.98      3.35718     340.98      
1 1 1 18 1  43 o 14.2543 4.60963 -0.241859    2.28113  -0.439056    2.25222  7.5572      83.7198     5.48557     263.72      
1 1 1 18 1  44 o 23.4066 5.61714 1.98645      2.43118  6.57759      2.76275  23.6695     185.74      4.69804     185.74      
1 1 1 18 1  45 o 31.6036 6.05459 10.1258      2.94938  6.6339       3.40115  27.8005     334.854     6.06991     154.854     
1 1 1 18 1  46 o 16.1006 4.92701 -1.27862     2.30404  2.87746      2.47374  11.77       91.2919     3.85861     271.292     
1 1 1 18 1  47 o 17.2434 5.35564 1.21247      2.78107  2.14559      2.72116  15.1168     342.622     4.1698      342.622     
1 1 1 18 1  48 o 15.662  4.87871 -1.78129     2.47077  2.87723      2.4743   12.0872     29.4156     4.08017     29.4156     
1 1 1 18 1  49 o 13.8117 4.57959 -1.04502     2.33743  0.324943     2.56596  6.20298     19.1206     0.738001    199.121     
1 1 1 18 1  50 o 14.6577 4.81029 -0.555874    2.83925  0.719097     2.43627  5.7411      269.485     4.08033     89.4855     
1 1 1 18 1  51 o 12.4023 4.24342 -2.40012     2.70489  -0.890212    2.31927  3.71833     7.07886     2.63306     187.079     
1 1 1 18 1  52 o 14.2839 4.64314 -1.06006     2.35651  2.07889      2.44224  9.74548     165.949     1.37171     345.949     
1 1 1 18 1  53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 2  0  f 9.15538 4.58348 -3.38724     2.66829  -3.38724     2.66829  53.1511     1.68593e-05 0           0           
1 1 1 18 2  1  o 40.7403 5.06337 9.35162      3.07708  9.49411      3.04388  5.06022     18.7819     67.2861     198.782     
1 1 1 18 2  2  o 81.549  3.00602 40.2881      3.7872   32.8719      3.71317  83.9388     158.98      0.639902    158.98      
1 1 1 18 2  3  o 239.011 2.12958 325.265      7.89343  298.639      7.77625  260.87      152.839     10.3524     152.839     
1 1 1 18 2  4  o 113.807 2.84597 71.0388      4.81741  70.8229      5.13627  140.074     229.28      42.0318     229.28      
1 1 1 18 2  5  o 86.1556 3.27246 46.9177      4.48484  35.0766      4.13941  93.3044     133.627     8.90901     133.627     
1 1 1 18 2  6  o 83.5686 3.2519  41.7932      4.31453  35.1117      4.0191   99.1285     320.677     27.1559     320.677     
1 1 1 18 2  7  o 102.589 2.9231  54.8909      4.40482  60.5754      4.81447  108.749     216.22      2.52067     216.22      
1 1 1 18 2  8  o 88.163  3.04356 38.7166      4.07288  46.8207      4.14349  101.916     354.662     21.2674     354.662     
1 1 1 18 2  9  o 30.6397 6.47902 7.03995      3.22779  3.19345      3.67721  5.2929      182.078     42.3892     2.07823     
1 1 1 18 2  10 o 26.9876 6.58486 4.38082      3.43406  3.10636      3.23251  13.9823     187.452     76.3887     187.452     
1 1 1 18 2  11 o 88.0883 3.30631 44.1935      4.51088  41.2464      4.4252   78.3656     118.652     27.3421     298.652     
1 1 1 18 2  12 o 19.0549 5.76933 -1.58658     3.14517  0.999489     3.02975  4.38346     7.03826     22.2275     7.03827     
1 1 1 18 2  13 o 47.0261 5.68322 10.0805      4.15374  15.5118      3.57313  9.42448     119.312     75.4313     299.312     
1 1 1 18 2  14 o 61.6585 4.89916 19.0858      4.91391  23.8177      3.9799   60.1489     231.827     3.13761     51.8268     
1 1 1 18 2  15 o 58.8377 4.28146 18.4958      3.94958  20.2709      3.66779  52.6157     259.025     12.3382     79.025      
1 1 1 18 2  16 o 59.0882 3.96527 15.9511      3.52994  23.3698      3.46643  46.1408     327.543     26.8413     147.543     
1 1 1 18 2  17 o 48.0765 4.25697 10.141       2.99072  16.2724      3.01717  28.3351     307.86      38.664      127.86      
1 1 1 18 2  18 o 59.2028 3.43938 21.4961      3.00719  17.5671      3.16104  82.8296     224.133     59.3608     224.133     
1 1 1 18 2  19 o 86.1223 2.72224 43.9459      3.69169  37.8827      3.50672  74.2972     79.8578     31.0918     259.858     
1 1 1 18 2  20 o 22.2143 5.54865 1.20082      2.42502  3.56962      2.46717  4.90223     143.522     5.72822     323.522     
1 1 1 18 2  21 o 60.4781 3.88911 15.4683      3.45361  26.3393      3.49562  54.5241     51.3081     14.929      231.308     
1 1 1 18 2  22 o 118.252 2.84391 71.8621      4.9019   82.9939      5.44502  132.784     20.988      17.0133     20.9881     
1 1 1 18 2  23 o 57.4908 4.05321 17.9669      3.10544  19.5465      3.94776  61.8518     37.2238     5.92079     37.2238     
1 1 1 18 2  24 o 71.8914 3.06372 30.0084      3.06858  27.6443      3.62688  70.5883     215.672     8.62563     35.6717     
1 1 1 18 2  25 o 34.3551 4.65559 6.66852      2.38905  7.24222      2.35599  37.5613     103.091     9.47198     103.091     
1 1 1 18 2  26 o 29.1969 5.18954 6.282        2.31622  4.00799      2.41534  29.9042     53.8377     19.2611     53.8377     
1 1 1 18 2  27 o 49.9381 3.69159 15.2238      2.79921  13.2679      2.78282  33.8238     17.1047     35.0715     197.105     
1 1 1 18 2  28 o 28.5131 5.34118 5.30945      2.41107  4.66274      2.35806  15.3346     341.389     24.7512     161.389     
1 1 1 18 2  29 o 25.3794 5.31074 4.82383      2.31472  3.01214      2.19019  22.2548     221.428     0.829727    41.4279     
1 1 1 18 2  30 o 18.2263 5.13691 1.32975      2.14289  1.19097      2.19406  9.03425     91.4157     11.2968     271.416     
1 1 1 18 2  31 o 81.3231 2.70626 39.6291      3.29483  34.5676      3.43869  90.1128     110.035     11.6288     110.035     
1 1 1 18 2  32 o 19.0164 5.15104 2.57779      2.12462  0.492962     2.26351  16.5844     352.972     5.51653     352.972     
1 1 1 18 2  33 o 74.6696 2.86077 31.9527      3.16624  31.1747      3.38035  90.6727     35.4369     27.2595     35.4369     
1 1 1 18 2  34 o 18.2388 5.09702 2.16577      2.18221  0.643416     2.12328  12.5321     191.158     4.90004     11.158      
1 1 1 18 2  35 o 17.7531 5.11705 1.20779      2.19492  1.22535      2.21411  6.94406     235.525     16.9787     55.525      
1 1 1 18 2  36 o 24.7039 5.41341 4.89362      2.33062  3.00851      2.29983  21.335      199.554     2.50581     19.554      
1 1 1 18 2  37 o 30.4024 5.39938 5.21313      2.54544  7.03403      2.53951  29.2408     331.818     0.503772    331.818     
1 1 1 18 2  38 o 19.8905 5.5936  1.97734      2.69801  2.22629      2.44304  15.9196     282.485     0.189812    282.485     
1 1 1 18 2  39 o 16.5685 5.06002 0.186054     2.50246  1.05065      2.2532   6.37095     150.663     2.12628     150.663     
1 1 1 18 2  40 o 38.955  4.62572 8.54891      2.69882  11.3001      2.59769  50.2685     342.112     24.2317     342.112     
1 1 1 18 2  41 o 20.4816 5.60298 0.170317     2.82277  4.54365      2.69609  17.1317     244.14      2.99373     64.14       
1 1 1 18 2  42 o 17.7722 5.39679 1.19099      2.45011  1.5977       2.85196  12.7963     295.044     4.87125     115.044     
1 1 1 18 2  43 o 14.0723 4.62193 0.610483     2.45686  -3.26387     2.57246  7.09149     320.821     6.1635      140.821     
1 1 1 18 2  44 o 18.9642 5.25563 5.00727      2.66237  -2.85737     2.89939  17.2851     116.922     1.99925     116.922     
1 1 1 18 2  45 o 17.1553 4.92374 -1.47697     2.30337  3.70364      2.3302   16.8589     319.459     6.62321     319.459     
1 1 1 18 2  46 f 14.6472 4.74306 -0.465924    2.40667  0.570807     2.43061  13.9609     113.04      0           0           
1 1 1 18 2  47 o 12.5941 4.27216 -1.64804     2.40635  -1.55325     2.37363  5.42864     60.8965     0.51584     60.8964     
1 1 1 18 2  48 o 18.9723 5.59508 4.60873      2.86895  0.904158     2.8458   17.5484     350.783     3.68361     350.783     
1 1 1 18 2  49 o 14.3813 4.79682 -0.524665    2.81215  -0.20203     2.72526  2.73226     142.622     0.430314    142.622     
1 1 1 18 2  50 o 15.0183 4.77052 -1.77909     2.36611  2.51034      2.48368  5.36237     245.551     11.2496     65.5512     
1 1 1 18 2  51 o 17.7715 5.38035 1.93538      2.80974  3.46641      2.5557   12.6851     259.74      4.85203     259.74      
1 1 1 18 2  52 o 12.4216 4.27892 -1.80276     2.91219  -1.33361     2.36771  6.05109     232.498     6.40236     52.4983     
1 1 1 18 2  53 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 3  0  o 77.9536 3.75414 33.6734      4.4577   33.6734      4.4577   65.6108     180         36.2658     360         
1 1 1 18 3  1  o 178.707 2.59902 179.368      7.18257  169.799      7.11945  221.848     210.749     63.7446     210.749     
1 1 1 18 3  2  f 177.651 2.60369 172.973      7.13632  172.03       7.10914  168.697     15.5741     0           0           
1 1 1 18 3  3  o 41.5213 6.18576 5.48744      3.74616  15.0535      4.08878  28.6642     250.537     10.8019     250.537     
1 1 1 18 3  4  o 57.9121 4.4834  19.8198      3.9638   17.5981      3.89341  68.4272     100.134     29.8432     100.134     
1 1 1 18 3  5  o 28.2715 6.50389 6.60512      3.54242  1.49501      3.39464  6.78773     355.539     15.0213     175.539     
1 1 1 18 3  6  o 15.9419 5.25591 -1.54077     3.20028  -5.12089     3.2548   14.4455     73.0172     41.6996     73.0172     
1 1 1 18 3  7  o 27.4733 6.6192  2.08878      3.55218  5.37705      3.39839  0.139087    269.287     43.688      269.287     
1 1 1 18 3  8  o 64.2618 4.05779 21.3463      3.96593  24.5248      3.96327  84.2282     222.106     43.8264     222.106     
1 1 1 18 3  9  f 64.0681 3.94376 21.2666      4.00599  24.2975      3.64551  63.0944     134.222     0           0           
1 1 1 18 3  10 o 85.6183 3.70516 39.011       5.27956  41.9333      4.35382  85.5887     177.011     6.78143     357.011     
1 1 1 18 3  11 o 78.7465 3.78057 33.3491      4.62118  35.2385      4.48503  80.7251     121.103     0.909873    301.103     
1 1 1 18 3  12 o 93.1605 3.21074 53.0229      4.63927  42.7755      4.51616  107.777     13.0182     22.1256     13.0182     
1 1 1 18 3  13 o 201.861 2.73964 222.568      8.51442  224.062      8.51748  213.866     252.461     1.50758     72.4616     
1 1 1 18 3  14 o 19.4154 5.71923 1.03945      3.0204   0.09327      2.65188  5.0386      296.151     25.7114     296.151     
1 1 1 18 3  15 o 33.0101 5.67423 4.72345      2.95356  8.01799      2.85328  14.9996     12.1114     25.192      192.111     
1 1 1 18 3  16 o 72.1815 3.4655  33.0871      3.82223  24.9289      3.77892  75.6226     286.622     4.12061     286.622     
1 1 1 18 3  17 o 42.8526 4.69926 11.2093      3.13809  9.77273      2.86526  35.3315     325.513     9.93852     145.513     
1 1 1 18 3  18 o 38.101  5.30096 10.2685      2.78452  6.71235      3.16606  34.8165     294.611     4.21867     294.611     
1 1 1 18 3  19 o 66.3703 3.42989 24.5095      3.26313  24.4847      3.68439  65.7708     273.271     4.27382     93.2712     
1 1 1 18 3  20 o 67.6362 3.20227 24.4974      3.21308  26.3293      3.41995  81.2262     207.103     24.617      207.103     
1 1 1 18 3  21 o 23.9395 5.48866 2.25826      2.28931  4.11359      2.41508  11.0812     204.849     14.3484     24.849      
1 1 1 18 3  22 o 43.6728 3.96257 13.1051      2.56017  8.79521      2.54841  42.5299     91.0618     1.74074     271.062     
1 1 1 18 3  23 o 33.6508 5.28289 3.79681      2.73409  9.9918       2.78195  37.1923     210.111     12.7651     210.111     
1 1 1 18 3  24 o 26.1437 5.85218 3.5283       2.52948  4.51702      2.76102  12.8593     157.075     23.6529     337.075     
1 1 1 18 3  25 f 15.4655 4.76526 1.25001      2.31307  -3.85729     2.42464  10.5456     33.1627     0           0           
1 1 1 18 3  26 o 28.2041 4.88874 7.41967      2.27812  2.15906      2.27566  28.9472     151.354     7.97867     151.354     
1 1 1 18 3  27 o 34.1574 4.63029 6.36677      2.36431  7.51366      2.32419  36.6236     75.345      7.57206     75.345      
1 1 1 18 3  28 o 21.0208 5.29245 1.87231      2.12448  2.86863      2.21543  14.5626     339.062     3.35806     339.062     
1 1 1 18 3  29 o 44.6246 3.99436 9.93683      2.64373  13.2927      2.66834  62.1272     200.273     36.8996     200.273     
1 1 1 18 3  30 o 34.6809 4.99505 9.66257      2.69665  5.24127      2.47897  17.9829     181.568     33.7176     1.56775     
1 1 1 18 3  31 o 67.4491 3.0289  22.6189      3.18294  29.0035      3.00699  72.6194     181.247     6.00466     181.247     
1 1 1 18 3  32 o 40.8699 4.28452 6.50444      2.46983  13.9795      2.47161  44.2271     41.4852     5.78951     41.4853     
1 1 1 18 3  33 f 24.2142 5.42284 3.71682      2.26076  3.64633      2.27319  13.3916     116.904     0           0           
1 1 1 18 3  34 o 42.3384 4.08783 10.7479      2.513    10.6954      2.67352  44.45       308.737     3.80871     308.737     
1 1 1 18 3  35 o 22.6457 5.50917 2.99628      2.28878  3.42002      2.36289  21.7448     94.923      9.22298     94.923      
1 1 1 18 3  36 o 33.7722 5.00717 7.66819      2.41747  6.87723      2.62146  35.317      301.515     5.20411     301.515     
1 1 1 18 3  37 o 17.8512 5.29491 1.38808      2.46993  0.729636     2.45048  8.4083      42.3794     2.45567     42.3794     
1 1 1 18 3  38 o 19.5204 5.36685 3.53344      2.50582  0.172639     2.40623  15.4044     163.442     5.54301     163.442     
1 1 1 18 3  39 o 19.1026 5.59412 2.04574      2.70524  1.52618      2.67929  15.3962     80.5049     0.35358     80.5049     
1 1 1 18 3  40 o 17.1278 5.27416 0.0821031    2.86896  1.35846      2.42825  11.7877     299.573     5.13945     119.573     
1 1 1 18 3  41 f 17.5762 5.34939 2.31791      2.67804  -0.344107    2.72127  10.6921     97.0967     0           0           
1 1 1 18 3  42 o 25.4813 6.4136  4.47174      3.52155  6.04255      2.99979  27.8851     168.29      10.4021     168.29      
1 1 1 18 3  43 o 24.33   5.90699 2.66354      3.05075  6.48915      2.76347  25.2343     101.781     7.05988     101.781     
1 1 1 18 3  44 o 21.3973 5.22317 6.23514      2.57227  -0.147971    2.41224  23.3726     160.157     9.61344     160.157     
1 1 1 18 3  45 o 20.4801 5.626   4.56668      2.75565  2.04363      2.40914  21.9154     89.4849     8.81646     89.4849     
1 1 1 18 3  46 o 12.7324 4.33401 -1.3013      2.64447  -2.28413     2.33437  6.23074     101.516     7.30705     281.516     
1 1 1 18 3  47 o 14.2445 4.61311 -1.42792     2.3462   1.14642      2.32931  9.61936     264.713     1.93401     84.7129     
1 1 1 18 3  48 o 16.1935 5.00895 0.87692      2.36203  1.95249      2.40774  11.8216     339.36      5.45912     339.36      
1 1 1 18 3  49 o 15.4134 4.98722 -0.795548    2.65269  1.88187      2.74527  7.16401     7.04749     0.915212    7.04749     
1 1 1 18 3  50 o 16.7012 5.16558 3.47203      2.67028  -0.69897     2.69754  4.44438     4.14815     1.30309     4.14815     
1 1 1 18 3  51 o 15.6733 4.97917 0.500162     2.57092  2.34333      2.51744  10.2522     291.011     0.903493    291.011     
1 1 1 18 3  52 o 13.5881 4.59336 0.529861     2.89095  -1.15029     2.47506  9.28485     122.858     0.783143    122.858     
1 1 1 18 4  0  o 37.8674 7.26041 9.43198      3.65884  9.43198      3.65884  29.6078     3.83797e-10 6.93539     3.83797e-10 
1 1 1 18 4  1  o 84.8451 3.49318 36.0434      4.50426  43.3599      4.55795  98.626      188.231     23.1711     188.231     
1 1 1 18 4  2  o 78.6148 3.66203 33.0817      4.39929  35.0746      4.41505  66.8553     75.548      28.738      255.548     
1 1 1 18 4  3  o 70.453  3.88352 27.1002      4.15053  27.7823      4.20941  88.4823     73.1838     37.5608     73.1837     
1 1 1 18 4  4  o 67.6879 4.00478 28.9088      4.07072  22.0619      4.12698  93.3519     7.79551     59.0019     7.79551     
1 1 1 18 4  5  o 60.8034 4.32506 19.5363      4.0662   21.634       3.90094  46.0349     255.736     31.0589     75.7358     
1 1 1 18 4  6  o 118.491 3.05413 83.4324      5.85718  70.8595      5.27393  124.999     261.135     0.164873    261.134     
1 1 1 18 4  7  o 128.766 2.95162 92.8734      6.09761  88.9652      5.58993  134.194     146.53      3.88033     326.53      
1 1 1 18 4  8  o 31.4406 6.33481 5.54192      3.22918  5.81719      3.20292  16.7528     236.813     8.80317     56.8128     
1 1 1 18 4  9  o 230.079 2.3071  282.427      8.16808  296.358      8.17649  267.531     69.6686     44.8788     69.6686     
1 1 1 18 4  10 o 135.757 2.7781  100.346      5.86107  101.713      5.7403   157.901     176.477     29.2883     176.477     
1 1 1 18 4  11 o 213.461 2.30332 255.743      7.6035   242.67       7.53656  236.209     80.5157     18.4055     80.5157     
1 1 1 18 4  12 o 78.0192 3.36261 29.8343      3.99605  37.5642      4.00278  93.6012     131.326     28.4027     131.326     
1 1 1 18 4  13 o 23.3094 6.06964 2.96334      2.86418  1.95718      2.90069  0.376938    355.203     27.005      355.203     
1 1 1 18 4  14 o 58.6422 3.6212  17.5939      3.21765  20.6809      3.24018  32.0749     10.6577     54.9575     190.658     
1 1 1 18 4  15 o 21.1433 5.91145 2.00452      2.80705  0.882465     2.93133  4.19446     2.58847     31.8426     2.58847     
1 1 1 18 4  16 o 91.193  3.15324 46.3234      4.26329  45.4825      4.5574   116.567     248.328     45.3668     248.328     
1 1 1 18 4  17 o 101.905 2.97209 58.9925      4.8607   55.5352      4.447    108.435     229.792     4.09515     229.792     
1 1 1 18 4  18 o 21.9974 5.68973 3.14577      2.4941   1.15339      2.67102  4.18528     126.542     42.7688     126.542     
1 1 1 18 4  19 o 64.6406 3.13465 20.9292      3.01762  25.548       3.17428  85.0304     245.534     40.6538     245.534     
1 1 1 18 4  20 o 75.116  2.82784 29.8595      3.2479   32.5724      3.26633  82.3504     113.34      9.55859     113.34      
1 1 1 18 4  21 o 120.92  2.41611 78.3118      4.64715  82.7154      4.32365  129.839     275.653     5.68773     275.653     
1 1 1 18 4  22 o 28.2586 5.22799 3.78915      2.31724  5.71092      2.33732  25.1567     312.783     2.26865     312.783     
1 1 1 18 4  23 f 40.6894 4.13384 10.7925      2.49299  8.31134      2.49822  28.9402     51.7425     0           0           
1 1 1 18 4  24 o 50.991  3.66349 16.6099      2.9813   12.9805      2.68621  48.4281     56.6172     7.50385     236.617     
1 1 1 18 4  25 o 48.9304 3.97086 12.586       2.94093  14.8755      2.9097   50.9347     178.169     2.45319     178.169     
1 1 1 18 4  26 o 33.4868 5.33696 5.56613      2.6889   8.10789      2.71178  22.9732     179.907     20.1116     359.907     
1 1 1 18 4  27 o 71.4565 3.09238 28.0828      3.37854  29.307       3.39331  71.927      249.8       4.11749     69.8003     
1 1 1 18 4  28 o 32.9932 4.80619 7.53583      2.39328  5.6294       2.33117  13.5462     280.316     38.8941     100.316     
1 1 1 18 4  29 o 51.0694 3.61544 17.2378      2.79368  12.8156      2.76171  56.007      265.349     8.21408     265.349     
1 1 1 18 4  30 o 17.5218 5.12534 1.40238      2.28883  0.128427     2.26646  4.77495     355.284     21.0646     175.284     
1 1 1 18 4  31 o 38.0024 4.52926 8.87408      2.53821  8.46343      2.57263  37.8845     254.777     0.50962     74.7768     
1 1 1 18 4  32 o 50.9933 3.52777 14.7056      2.81238  15.3695      2.6474   64.9343     218.959     26.1148     218.959     
1 1 1 18 4  33 o 25.8193 5.33068 4.79208      2.30337  3.71499      2.21806  26.7258     136.264     5.91184     136.264     
1 1 1 18 4  34 o 13.3422 4.34666 -2.09979     2.10483  -0.447082    2.08169  3.91167     286.384     6.1224      106.384     
1 1 1 18 4  35 o 17.2456 5.0359  1.0076       2.16927  1.04201      2.17259  6.95836     331.566     15.2532     151.566     
1 1 1 18 4  36 f 17.7448 5.19748 0.483317     2.19132  1.73284      2.47101  7.09985     118.667     0           0           
1 1 1 18 4  37 o 25.0284 5.63583 4.18802      2.40349  4.24632      2.48803  26.7829     207.279     12.5959     207.279     
1 1 1 18 4  38 o 34.5453 5.34284 10.6565      2.72574  5.64299      2.89576  33.6006     167.544     0.226063    347.544     
1 1 1 18 4  39 o 13.5132 4.4464  -0.724917    2.22237  -1.66238     2.28514  5.44001     350.245     1.70616     170.245     
1 1 1 18 4  40 o 15.3213 4.86868 0.780239     2.44635  -1.05276     2.41     9.60003     181.248     5.47931     1.24809     
1 1 1 18 4  41 o 24.7723 6.39138 6.57095      3.46383  3.2806       2.97585  17.9039     273.682     11.1638     93.6821     
1 1 1 18 4  42 o 16.9974 5.36917 0.67416      2.97819  0.679225     2.76058  12.5252     292.771     1.62199     112.771     
1 1 1 18 4  43 o 17.4116 5.24926 0.994939     2.65286  1.87929      2.35601  14.2745     272.74      4.87346     272.74      
1 1 1 18 4  44 o 23.9598 5.8101  4.90041      2.63929  4.54961      2.53024  27.2818     117.406     11.5424     117.406     
1 1 1 18 4  45 o 25.3997 5.86501 5.00187      2.68235  5.93591      2.62398  23.3141     319.724     1.3107      139.724     
1 1 1 18 4  46 o 15.0058 4.90117 1.01474      2.90855  -0.682385    2.34122  10.4879     70.7577     2.50584     250.758     
1 1 1 18 4  47 o 16.8077 5.16609 2.29101      2.59745  1.02429      2.39507  14.3512     210.831     4.99616     210.831     
1 1 1 18 4  48 o 19.622  5.21923 5.72026      2.55077  -0.303569    2.46803  19.5131     340.182     8.75971     340.182     
1 1 1 18 4  49 o 16.1913 5.03369 0.0755372    2.54607  2.44753      2.44851  8.09678     170.499     8.83697     350.499     
1 1 1 18 4  50 o 16.1586 5.12845 3.49262      2.86706  -1.86552     2.78341  5.5405      354.858     1.33094     354.858     
1 1 1 18 4  51 o 13.3836 4.52464 -1.04645     2.64672  -0.0249424   2.62684  6.62142     246.38      1.15449     66.3798     
1 1 1 18 4  52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 5  0  o 127.461 2.87214 88.9602      5.62433  88.9602      5.62433  139.725     5.98117e-06 6.58307     5.98117e-06 
1 1 1 18 5  1  o 28.4308 6.48426 1.35602      3.49325  6.7626       3.48924  4.75915     201.44      58.6848     201.44      
1 1 1 18 5  2  o 32.9271 6.73513 7.29447      3.7557   5.15696      3.50508  19.2979     279.467     102.029     279.467     
1 1 1 18 5  3  o 96.1451 3.31584 54.9753      5.14652  46.8262      4.64596  124.259     83.0845     49.5475     83.0845     
1 1 1 18 5  4  o 104.209 3.08453 57.077       4.95479  62.2003      4.91379  107.451     296.294     3.64082     116.294     
1 1 1 18 5  5  o 20.3589 5.96987 0.434361     3.10101  0.879008     3.04125  9.64254     134.326     45.1245     134.326     
1 1 1 18 5  6  o 22.0881 6.02783 -0.750553    3.11582  3.41058      3.07818  1.7128      296.04      26.5188     296.04      
1 1 1 18 5  7  o 82.2181 2.92744 36.8377      3.71318  37.4221      3.67505  79          106.188     12.2992     286.188     
1 1 1 18 5  8  o 134.698 2.37459 95.8066      4.91428  102.739      4.92809  123.164     249.755     38.4499     69.7554     
1 1 1 18 5  9  o 133.195 2.48506 98.8218      4.86841  95.4014      5.30147  118.669     68.9701     44.0911     248.97      
1 1 1 18 5  10 o 20.9143 5.83246 2.01576      2.74143  0.746062     2.84256  4.79673     238.864     31.7758     238.864     
1 1 1 18 5  11 o 130.214 3.06688 98.823       5.44259  87.7112      6.68053  131.764     210.602     10.7197     30.6017     
1 1 1 18 5  12 o 47.3602 5.07806 11.275       3.5632   14.3514      3.5695   51.1459     153.073     27.8515     153.073     
1 1 1 18 5  13 o 48.4221 4.92767 11.2769      3.54011  15.533       3.50999  29.8556     194.174     35.0673     14.1744     
1 1 1 18 5  14 o 25.3377 6.04791 2.96437      2.78773  3.88657      2.8298   2.46311     115.627     29.8115     295.627     
1 1 1 18 5  15 o 93.0499 2.95026 47.7746      4.45187  47.6357      3.96711  117.851     279.657     43.9539     279.657     
1 1 1 18 5  16 o 54.0818 4.01034 15.791       3.30453  17.0314      3.26951  44.2881     242.994     19.5154     62.9943     
1 1 1 18 5  17 o 74.9884 3.19801 34.0311      3.59935  28.3704      3.71476  81.3188     24.7674     8.7915      24.7674     
1 1 1 18 5  18 o 63.1471 3.27766 24.6405      3.07505  19.8077      3.20543  76.455      24.4322     26.007      24.4322     
1 1 1 18 5  19 o 49.7992 3.66564 10.9612      2.69448  17.2419      2.71701  44.2259     148.977     11.2975     328.977     
1 1 1 18 5  20 o 22.6616 5.46377 2.31139      2.30523  3.19383      2.29055  8.58406     294.96      17.4886     114.96      
1 1 1 18 5  21 o 19.4879 5.13923 -0.107251    2.23942  2.91914      2.19073  4.61371     11.1162     19.8788     191.116     
1 1 1 18 5  22 o 29.2711 5.20609 5.04951      2.32046  5.1767       2.36778  29.7689     89.4336     8.7921      89.4336     
1 1 1 18 5  23 o 81.7544 2.66551 35.8457      3.34712  38.2913      3.34312  103.074     219.992     36.4123     219.992     
1 1 1 18 5  24 o 55.2004 3.26643 18.1601      2.78055  16.1386      2.71706  52.7066     313.747     7.94509     133.747     
1 1 1 18 5  25 o 36.4505 4.49149 8.84782      2.47551  6.82237      2.37241  36.2397     239.574     1.00596     239.574     
1 1 1 18 5  26 f 28.7369 5.37308 3.6661       2.67435  6.30923      2.30959  44.5769     260.917     0           0           
1 1 1 18 5  27 o 17.6788 5.09416 2.70393      2.43283  -4.50748     2.88669  7.37883     35.3258     11.6552     215.326     
1 1 1 18 5  28 o 34.1692 5.28535 7.27384      2.69232  7.04131      2.71469  38.3806     309.089     11.7586     309.089     
1 1 1 18 5  29 o 44.6979 4.29006 13.0926      2.85608  10.4515      2.85882  52.2019     198.092     14.9011     198.092     
1 1 1 18 5  30 o 48.3198 3.59041 14.0524      2.63149  12.8598      2.62681  56.9344     284.201     15.9564     284.201     
1 1 1 18 5  31 o 40.9727 4.18093 9.66279      2.49065  10.2332      2.63315  34.6892     142.277     13.8381     322.277     
1 1 1 18 5  32 o 23.4091 5.52303 2.99041      2.36499  3.74251      2.32504  18.8558     90.8693     5.99064     270.869     
1 1 1 18 5  33 o 19.0909 5.3783  2.39616      2.28087  0.422669     2.64125  0.790858    265.055     37.627      265.055     
1 1 1 18 5  34 o 44.5912 3.91375 11.0427      2.64767  12.6832      2.59114  41.4738     271.369     6.86281     91.3693     
1 1 1 18 5  35 o 48.4326 3.9357  15.3041      2.99578  12.7791      2.7653   56.2153     62.7804     15.3597     62.7804     
1 1 1 18 5  36 o 33.0274 4.93579 7.76871      2.43407  6.21749      2.43277  27.319      221.865     9.87392     41.8647     
1 1 1 18 5  37 o 42.2701 4.29359 10.6666      2.71199  11.4812      2.71332  45.363      102.154     6.79864     102.154     
1 1 1 18 5  38 o 35.1993 5.18157 7.0315       2.79208  9.62625      2.64302  33.6106     264.4       1.72679     84.3998     
1 1 1 18 5  39 o 28.791  5.59261 6.84536      2.58426  5.0327       2.57952  17.1863     314.433     21.8308     134.433     
1 1 1 18 5  40 o 17.8254 5.63168 -1.17012     3.88669  1.66114      2.76372  15.5503     172.112     3.35199     172.112     
1 1 1 18 5  41 o 16.7865 5.21492 2.35782      2.80951  -1.4835      2.58982  9.11773     209.731     4.57885     209.731     
1 1 1 18 5  42 o 19.1231 5.57127 3.08077      2.59895  1.1241       2.84899  9.22716     237.121     16.1462     57.121      
1 1 1 18 5  43 o 27.6276 6.10029 5.58791      3.00794  7.01073      2.82794  24.5588     42.1819     3.36434     222.182     
1 1 1 18 5  44 o 15.7907 5.13801 -0.994709    3.27129  0.824267     2.61912  12.2715     179.933     2.03727     359.933     
1 1 1 18 5  45 o 22.1209 5.47754 5.70371      2.42276  1.85122      2.71099  23.2666     348.043     7.06492     348.043     
1 1 1 18 5  46 o 17.1526 5.1342  0.346962     2.36134  3.04758      2.47114  13.5225     54.0336     7.0211      54.0336     
1 1 1 18 5  47 f 18.9016 5.41935 2.67324      2.46356  3.11474      2.45737  15.1179     287.137     0           0           
1 1 1 18 5  48 o 22.8455 5.71968 5.43518      2.54038  4.08896      2.54594  21.6793     358.976     3.3588      358.976     
1 1 1 18 5  49 o 14.9454 4.81385 0.61314      2.46441  0.596343     2.41598  6.36414     237.448     2.91952     57.4479     
1 1 1 18 5  50 o 21.9345 5.79862 6.87634      2.94051  2.73407      2.55267  21.0478     189.49      9.1617      189.49      
1 1 1 18 5  51 o 13.7748 4.69641 -0.571976    3.27334  -0.51349     2.67399  6.63513     335.746     1.22371     335.746     
1 1 1 18 5  52 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 6  0  o 10.071  4.94208 -2.28893     2.67564  -2.28893     2.67564  8.36666     180         19.2793     180         
1 1 1 18 6  1  f 71.4325 3.31106 29.0266      3.51633  27.2239      3.71476  91.7668     68.6556     0           0           
1 1 1 18 6  2  o 56.744  3.88904 20.5694      3.21988  15.3856      3.3941   29.6238     41.0989     55.9504     221.099     
1 1 1 18 6  3  o 80.4522 3.15228 40.2201      3.72741  31.2659      3.96748  96.7333     29.5913     29.1512     29.5913     
1 1 1 18 6  4  f 44.7007 4.64068 9.74572      3.06939  12.9178      3.07784  23.9817     232.728     0           0           
1 1 1 18 6  5  o 176.665 2.31684 168.43       6.06884  172.83       6.53339  171.353     333.373     31.8708     153.373     
1 1 1 18 6  6  o 110.994 2.59907 66.5163      4.31258  68.4979      4.55921  106.397     232.665     20.0687     52.6646     
1 1 1 18 6  7  o 76.1281 3.14948 32.783       3.50678  31.0562      3.82621  72.9465     204.161     10.3811     24.1607     
1 1 1 18 6  8  o 47.3356 4.65654 11.4873      3.196    13.8626      3.40105  39.9324     6.9923      10.1719     186.992     
1 1 1 18 6  9  o 49.8098 4.46407 13.3607      3.3735   14.5575      3.31083  30.7219     15.292      36.8083     195.292     
1 1 1 18 6  10 o 20.9073 5.89267 1.78853      2.91996  0.864293     2.80239  3.53917     353.165     26.3342     353.165     
1 1 1 18 6  11 o 88.995  3.34973 38.836       4.53253  48.8759      4.57177  131.616     23.7344     85.0069     23.7344     
1 1 1 18 6  12 f 21.969  6.10319 1.8738       3.04246  1.51904      2.99919  28.5393     241.803     0           0           
1 1 1 18 6  13 o 63.7306 4.02139 25.759       3.89704  19.7868      3.85804  78.1309     284.054     31.4804     284.054     
1 1 1 18 6  14 o 49.8204 4.35672 18.4544      3.04491  10.1598      3.1784   38.0486     342.136     21.8758     162.136     
1 1 1 18 6  15 o 37.647  5.19722 5.58675      3.04431  11.1345      2.69475  17.36       251.01      36.7427     71.0095     
1 1 1 18 6  16 o 56.5035 3.72071 21.799       3.18069  14.2863      3.10784  54.1805     339.975     4.76623     159.975     
1 1 1 18 6  17 o 26.8221 5.65675 5.10651      2.58343  3.1945       2.51248  14.442      221.825     3.64235     41.8252     
1 1 1 18 6  18 f 44.2487 4.03109 10.3603      2.60782  11.8638      2.75599  41.6927     301.268     0           0           
1 1 1 18 6  19 o 54.8283 3.42807 15.0131      2.87892  18.7308      2.80882  59.2162     257.068     8.00983     257.068     
1 1 1 18 6  20 o 86.1851 2.6407  37.298       3.4763   44.9803      3.4937   79.8823     261.846     19.8176     81.8459     
1 1 1 18 6  21 o 38.9173 4.85207 6.41982      2.82808  11.6074      2.63706  43.4862     10.0381     35.1782     10.0381     
1 1 1 18 6  22 f 60.6661 3.11231 22.4544      2.91379  18.7803      2.8481   56.0706     263.102     0           0           
1 1 1 18 6  23 o 35.3437 4.54134 7.08226      2.39247  7.58179      2.36706  45.6153     40.384      30.9472     40.384      
1 1 1 18 6  24 o 55.8499 3.26108 17.2054      2.78578  17.9187      2.77211  57.3574     244.056     0.397705    244.057     
1 1 1 18 6  25 o 85.5014 2.59438 40.0281      3.40197  41.2313      3.41338  90.3617     86.6219     3.28172     86.6219     
1 1 1 18 6  26 o 60.1446 3.13426 17.8097      2.86766  23.1292      2.85189  58.5625     178.708     6.39676     358.708     
1 1 1 18 6  27 o 17.6164 4.99105 1.96561      2.17324  -0.0654994   2.06087  5.78059     19.0865     16.8808     199.087     
1 1 1 18 6  28 o 36.7255 5.07764 5.17768      2.7518   11.6719      2.76826  38.844      315.488     5.93212     315.488     
1 1 1 18 6  29 o 31.0805 5.56634 6.37157      2.67458  5.74608      2.66244  23.4112     101.629     14.0377     281.629     
1 1 1 18 6  30 o 23.1917 5.75732 3.73353      2.52884  2.49384      2.61561  17.8377     160.494     7.35563     340.494     
1 1 1 18 6  31 f 29.8155 5.21303 4.34977      2.34514  6.92418      2.47408  41.0676     46.6472     0           0           
1 1 1 18 6  32 f 26.8254 5.41234 4.6059       2.34397  4.63064      2.347    34.2903     19.695      0           0           
1 1 1 18 6  33 o 17.4863 5.08376 0.290516     2.1873   1.71974      2.26641  5.38032     47.8941     19.893      227.894     
1 1 1 18 6  34 f 63.2164 3.25747 24.2716      3.18127  22.0294      3.114    48.1735     47.0571     0           0           
1 1 1 18 6  35 o 19.6349 5.32526 1.46252      2.30117  2.5697       2.25846  14.9257     70.3407     0.431396    250.341     
1 1 1 18 6  36 o 39.7353 4.55282 8.97534      2.66164  10.8087      2.70493  34.0645     149.929     10.827      329.929     
1 1 1 18 6  37 f 25.3819 5.71309 2.10145      3.0048   6.33283      2.5792   33.1757     20.2063     0           0           
1 1 1 18 6  38 o 22.0592 5.319   0.863197     2.43466  5.17251      2.39797  14.1253     87.3136     12.6438     267.314     
1 1 1 18 6  39 o 17.5523 5.51044 1.35363      2.97501  -0.141276    3.01923  13.2072     166.278     5.41018     166.278     
1 1 1 18 6  40 o 21.2468 5.9438  4.54419      3.04353  1.4468       2.90696  22.3688     261.796     10.7075     261.796     
1 1 1 18 6  41 o 19.952  5.47455 1.01961      2.49517  3.99087      2.54449  18.5934     188.843     4.14251     188.843     
1 1 1 18 6  42 o 27.4551 5.95833 4.83627      2.86258  7.25736      2.79789  18.7196     234.115     15.109      54.1146     
1 1 1 18 6  43 o 19.1483 5.44101 3.738        2.58873  1.14487      2.4637   8.08337     0.966817    19.5114     180.967     
1 1 1 18 6  44 o 32.1449 5.53809 6.79314      2.87211  9.40786      2.65007  26.4801     181.506     9.75664     1.5055      
1 1 1 18 6  45 f 20.9576 5.57932 3.88533      2.41601  3.36222      2.49914  22.7194     329.802     0           0           
1 1 1 18 6  46 o 17.0847 5.10184 -0.0999379   2.3989   3.28526      2.45658  13.6707     93.945      0.991254    273.945     
1 1 1 18 6  47 f 19.2738 5.51965 2.92137      2.41779  3.33621      2.67335  16.2188     129.154     0           0           
1 1 1 18 6  48 o 16.8996 5.12578 2.76005      2.42598  0.858132     2.44725  10.8347     297.689     4.45916     117.689     
1 1 1 18 6  49 o 15.3387 4.94954 0.316495     2.44293  1.31489      2.73448  5.09849     214.028     0.186723    34.0281     
1 1 1 18 6  50 o 12.5318 4.25826 -0.543166    2.42952  -1.69008     2.36663  3.86234     7.83752     9.47563     187.838     
1 1 1 18 6  51 o 20.6597 5.68939 4.53102      2.57192  4.55928      2.63925  21.4582     107.214     9.12594     107.214     
1 1 1 18 7  0  o 118.388 2.49787 76.7007      4.54453  76.7007      4.54453  125.885     180         0.300507    8.65166e-06 
1 1 1 18 7  1  f 38.6401 5.6437  9.41428      2.98573  7.82985      3.49314  74.0598     358.628     0           0           
1 1 1 18 7  2  o 20.9933 5.8922  1.68788      2.79768  1.03958      2.89818  2.16565     215.612     20.999      215.612     
1 1 1 18 7  3  o 40.9826 5.24562 10.4752      3.03348  8.78823      3.31394  34.4346     100.858     2.63807     280.858     
1 1 1 18 7  4  f 26.4106 6.31306 4.26897      2.95174  3.01739      3.20569  20.8721     298.92      0           0           
1 1 1 18 7  5  o 53.8061 4.34132 18.6117      3.51084  13.9807      3.48771  63.8332     196.056     29.2299     196.056     
1 1 1 18 7  6  o 167.971 2.55367 153.285      6.61569  155.712      6.59432  173.918     167.751     6.68056     347.751     
1 1 1 18 7  7  o 57.7786 4.45696 18.7102      3.87122  18.7116      3.93098  54.4191     36.6495     5.07574     216.65      
1 1 1 18 7  8  o 39.2679 5.6995  7.95897      3.14834  9.98832      3.52104  20.3446     270.267     31.8006     90.2672     
1 1 1 18 7  9  o 98.5135 3.0684  55.0775      4.85258  51.8088      4.43407  81.3818     42.9046     42.3985     222.905     
1 1 1 18 7  10 o 63.7776 3.90825 19.7276      3.59053  25.7894      4.00059  81.0612     304.642     39.4417     304.642     
1 1 1 18 7  11 o 117.361 2.9885  75.1177      5.41702  76.5186      5.36617  156.296     185.506     69.0632     185.506     
1 1 1 18 7  12 o 79.3107 3.3619  36.3509      3.95981  33.3051      4.19308  63.5136     306.638     36.5751     126.638     
1 1 1 18 7  13 o 77.2197 3.06    34.3892      3.65561  31.509       3.58972  64.8884     179.166     29.2967     359.166     
1 1 1 18 7  14 o 25.6249 5.63446 3.01262      2.50448  4.38387      2.46291  6.84087     48.9213     24.6047     228.921     
1 1 1 18 7  15 o 42.8099 4.50067 10.4587      3.08478  10.458       2.64829  18.1245     345.023     48.5055     165.023     
1 1 1 18 7  16 o 66.0932 3.28775 24.655       3.36278  23.9084      3.28696  70.5855     181.091     6.77863     181.091     
1 1 1 18 7  17 o 66.7737 3.21044 23.7828      3.2994   25.8127      3.25681  73.5463     256.955     10.9528     256.955     
1 1 1 18 7  18 f 20.0413 5.41288 1.87317      2.28973  1.50528      2.36757  13.1024     123.151     0           0           
1 1 1 18 7  19 o 35.9197 4.71981 6.04913      2.50175  9.13892      2.49678  28.8763     93.9102     11.7325     273.91      
1 1 1 18 7  20 o 27.1685 5.38563 3.93111      2.36635  4.84421      2.33822  17.3226     4.30559     15.6796     184.306     
1 1 1 18 7  21 o 82.0937 2.67522 40.9085      3.37983  33.9745      3.34576  100.903     343.148     31.7608     343.148     
1 1 1 18 7  22 o 58.963  3.18471 16.9686      2.83413  22.198       2.86495  63.6417     38.3091     6.52447     38.3091     
1 1 1 18 7  23 o 25.3653 5.34411 3.08823      2.26735  4.56222      2.27171  23.0614     347.231     4.58888     347.231     
1 1 1 18 7  24 o 20.4121 5.28657 1.9769       2.17852  2.2307       2.16572  10.7931     189.519     12.0475     9.51914     
1 1 1 18 7  25 o 20.3063 5.12962 0.397895     2.15232  3.47088      2.1922   12.4822     272.099     7.24717     92.0991     
1 1 1 18 7  26 o 55.1551 3.34251 15.2842      2.73113  19.3676      2.87401  66.4297     256.346     21.0723     256.346     
1 1 1 18 7  27 o 15.8177 4.80341 1.21225      2.07661  -2.16429     2.45402  6.56796     292.863     41.1574     292.863     
1 1 1 18 7  28 o 68.2371 3.00337 25.6421      3.04769  26.8779      3.23298  74.9829     346.03      9.88823     346.03      
1 1 1 18 7  29 o 23.0677 5.25266 1.55893      2.22529  4.61717      2.26745  18.5937     113.673     5.24573     293.673     
1 1 1 18 7  30 o 25.9056 5.74898 5.46087      2.63243  2.91541      2.62516  27.355      255.861     6.72817     255.861     
1 1 1 18 7  31 o 32.7678 5.35877 4.88372      2.68127  8.95538      2.7196   32.1671     192.021     0.258698    192.021     
1 1 1 18 7  32 o 41.4862 4.70266 8.95838      2.8383   12.3278      2.923    41.4923     85.5905     0.212099    85.5907     
1 1 1 18 7  33 o 34.6725 4.77678 7.15338      2.43724  7.92187      2.47993  35.742      102.465     4.04377     102.465     
1 1 1 18 7  34 o 28.0135 5.46821 8.03341      2.81203  2.44311      2.46547  27.0971     159.967     2.20409     159.967     
1 1 1 18 7  35 o 13.9397 4.48591 -0.0744683   2.14428  -1.6258      2.12921  4.26018     277.801     8.71879     97.8014     
1 1 1 18 7  36 o 17.5936 5.2288  -0.742682    2.74089  2.08696      2.3362   9.84593     316.042     2.63378     316.042     
1 1 1 18 7  37 o 24.578  6.08785 3.59208      3.00888  4.96896      2.77007  20.6543     269.828     3.57753     89.8277     
1 1 1 18 7  38 o 27.7366 6.11312 3.80263      3.37263  7.55832      2.87666  23.1553     71.9424     6.4579      251.942     
1 1 1 18 7  39 o 27.4567 6.03741 5.97751      2.80431  5.5789       2.8464   17.5987     258.63      17.975      78.6304     
1 1 1 18 7  40 o 16.022  5.01706 1.04499      2.4791   -0.184383    2.4515   11.0972     224.292     3.42984     44.2917     
1 1 1 18 7  41 o 23.504  5.77174 5.53015      2.706    2.9732       2.52779  24.6555     354.094     8.94445     354.094     
1 1 1 18 7  42 o 17.8682 5.34716 2.40491      2.5184   0.936893     2.63301  6.26471     145.765     20.1122     325.765     
1 1 1 18 7  43 o 18.5258 5.36026 -0.142718    2.70132  3.88849      2.5744   19.0217     42.1454     9.67394     42.1454     
1 1 1 18 7  44 o 14.1611 4.60385 0.112552     2.31084  -0.421016    2.2972   3.12635     176.685     1.51865     176.685     
1 1 1 18 7  45 o 17.8679 5.30362 1.86931      2.48737  2.49702      2.4571   16.339      49.5922     5.68451     49.5922     
1 1 1 18 7  46 o 22.5793 5.67386 5.6725       2.56103  3.35378      2.54122  18.9862     173.01      3.24983     353.01      
1 1 1 18 7  47 o 15.7785 4.9503  1.71108      2.42257  0.598535     2.39495  10.7584     278.217     2.41675     98.2169     
1 1 1 18 7  48 o 17.3103 5.1951  0.700079     2.50515  3.23857      2.47671  6.38635     134.667     2.23736     134.667     
1 1 1 18 7  49 o 13.1108 4.39364 -0.202243    2.41572  -1.23694     2.33213  1.23242     203.64      0.448714    23.6397     
1 1 1 18 7  50 o 18.0554 5.37414 2.91233      2.61019  3.32113      2.4904   15.4335     4.68893     4.55193     4.68892     
1 1 1 18 7  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 8  0  o 55.9051 4.72472 17.8933      3.91403  17.8933      3.91403  1.75687     8.65169e-06 122.143     8.65166e-06 
1 1 1 18 8  1  o 33.6518 6.04472 9.92416      3.53519  3.48229      3.06588  20.5212     19.8411     7.05349     199.841     
1 1 1 18 8  2  o 69.5455 3.62866 31.8106      3.8346   22.2002      3.78723  72.1775     195.336     4.43298     195.336     
1 1 1 18 8  3  o 77.1181 3.37136 32.8457      3.9917   32.8431      3.97633  110.717     357.732     71.0793     357.732     
1 1 1 18 8  4  o 27.9242 6.11647 2.54523      3.05167  5.99369      2.9949   8.82045     214.362     12.1349     34.3618     
1 1 1 18 8  5  o 57.0343 4.0801  19.7102      3.57161  16.6956      3.4821   58.013      326.218     5.19107     326.218     
1 1 1 18 8  6  o 84.2504 3.32131 33.1423      4.07096  45.7427      4.48353  91.0424     280.185     9.81075     280.185     
1 1 1 18 8  7  o 52.4849 4.26267 16.2537      3.38126  14.702       3.37587  56.3938     203.611     14.5237     203.611     
1 1 1 18 8  8  o 53.5927 4.22713 15.6895      3.46479  16.5618      3.38785  30.6462     291.593     45.6107     111.593     
1 1 1 18 8  9  o 38.4777 5.90706 7.54692      3.36162  9.84754      3.44865  17.2074     273.624     37.4172     93.624      
1 1 1 18 8  10 o 25.1334 5.99717 3.06995      2.66691  3.7236       2.84254  4.17391     33.3432     4.9311      213.343     
1 1 1 18 8  11 o 53.8197 4.19586 15.5483      3.14475  17.0508      3.69086  63.5508     49.9302     25.0958     49.9302     
1 1 1 18 8  12 o 62.4251 3.78613 26.604       3.36093  17.3786      3.63181  79.2247     315.852     36.1806     315.852     
1 1 1 18 8  13 o 32.4528 5.49157 7.56673      2.78812  4.88516      2.67636  13.4165     234.299     32.4278     54.2988     
1 1 1 18 8  14 o 54.002  3.52019 16.8854      2.92178  15.7113      2.8656   56.0269     246.796     5.04102     246.796     
1 1 1 18 8  15 f 67.1246 3.18352 28.3012      3.44689  21.9554      3.09131  50.324      105.695     0           0           
1 1 1 18 8  16 o 60.8422 3.4414  19.5107      3.21235  21.8818      3.17027  72.9834     310.776     23.6741     310.776     
1 1 1 18 8  17 o 33.6245 5.65619 8.91059      3.12056  4.78234      2.74452  17.2839     30.0542     30.1794     210.054     
1 1 1 18 8  18 o 16.7766 4.9918  1.11321      2.1763   -0.791321    2.32673  2.39989     104.186     13.5982     284.186     
1 1 1 18 8  19 f 26.1963 5.3701  3.00361      2.37845  5.0584       2.30706  35.5485     203.137     0           0           
1 1 1 18 8  20 o 46.9026 3.71522 11.8971      2.64754  13.1098      2.61867  46.836      57.8668     0.910448    237.867     
1 1 1 18 8  21 o 62.5068 3.0512  21.9072      2.92618  21.8008      2.91156  75.6528     121.269     23.649      121.269     
1 1 1 18 8  22 o 26.1898 5.37382 4.31718      2.30795  3.92719      2.28253  23.3256     291.941     1.25579     291.941     
1 1 1 18 8  23 f 17.8817 5.13472 1.93406      2.14785  -0.823838    2.54642  49.7285     264.995     0           0           
1 1 1 18 8  24 o 33.0283 5.16102 9.34765      2.45587  4.04915      2.79505  33.4526     20.6976     4.16223     20.6975     
1 1 1 18 8  25 o 66.5066 3.07281 22.6107      3.05332  27.3113      3.19564  50.4261     341.64      35.9777     161.64      
1 1 1 18 8  26 o 28.957  5.16224 6.77317      2.33196  3.54828      2.4106   22.8965     62.1145     9.24364     242.114     
1 1 1 18 8  27 o 18.1796 5.05207 -0.275914    2.29805  2.33547      2.092    10.1432     78.9104     8.73734     258.91      
1 1 1 18 8  28 o 19.2211 4.95602 3.4519       2.1422   -0.540953    2.13259  15.2993     59.2093     0.0397796   239.208     
1 1 1 18 8  29 o 20.0093 5.28519 2.68071      2.23876  1.39829      2.18961  18.3472     358.185     3.09849     358.185     
1 1 1 18 8  30 o 50.3617 3.54458 16.0717      2.74075  13.4365      2.66988  52.5185     230.311     2.95294     230.311     
1 1 1 18 8  31 o 28.0744 5.61546 5.21241      2.76699  5.05638      2.31659  21.84       168.83      10.105      348.83      
1 1 1 18 8  32 o 19.6608 5.47044 3.13032      2.54905  0.152999     2.5487   12.2435     340.904     5.16475     340.904     
1 1 1 18 8  33 o 26.1529 5.88535 3.68432      2.67181  5.4141       2.72583  18.4627     273.875     12.0774     93.8747     
1 1 1 18 8  34 o 26.3237 5.74914 3.94856      2.35062  5.39699      2.7873   27.9101     1.49218     10.7302     1.49218     
1 1 1 18 8  35 o 37.4854 4.78757 10.2945      2.65221  7.70425      2.64652  33.992      343.071     5.67457     163.071     
1 1 1 18 8  36 o 32.4947 6.09704 5.41837      2.89903  10.0487      3.43517  33.472      359.452     5.16249     359.452     
1 1 1 18 8  37 o 16.1994 5.10092 0.760338     2.60605  -0.439557    2.55518  9.84339     136.324     2.01463     136.324     
1 1 1 18 8  38 o 15.0605 4.74862 -1.92024     2.37604  1.26043      2.30251  10.0369     291.695     1.68419     291.695     
1 1 1 18 8  39 o 23.9677 6.11381 4.92208      2.98749  3.94723      2.79627  26.3305     27.2776     10.862      27.2776     
1 1 1 18 8  40 o 17.9116 5.2734  2.23773      2.40782  1.05624      2.45335  13.0478     115.617     3.90231     295.617     
1 1 1 18 8  41 o 14.8463 4.79342 -1.18374     2.38961  0.707228     2.52498  9.44505     79.7554     1.33851     259.755     
1 1 1 18 8  42 o 16.6505 5.0917  2.43162      2.4755   -0.462486    2.50702  14.579      263.405     5.41837     263.405     
1 1 1 18 8  43 o 14.3901 4.6449  0.471496     2.31464  -0.522751    2.27516  10.9026     301.759     2.82902     301.759     
1 1 1 18 8  44 o 20.3888 5.51934 2.31362      2.47489  4.34752      2.48767  9.92655     200.916     18.007      20.916      
1 1 1 18 8  45 o 14.5618 4.7054  -0.233865    2.3543   0.646359     2.36999  6.64696     164.948     2.71566     164.948     
1 1 1 18 8  46 o 15.8704 4.96697 1.4669       2.39663  0.952695     2.40699  12.1018     73.8981     0.423664    253.898     
1 1 1 18 8  47 o 18.4702 5.36909 2.66347      2.42999  2.85386      2.47591  8.8866      232.931     4.65598     232.931     
1 1 1 18 8  48 o 11.4805 3.96912 -1.65094     2.36599  -3.30548     2.28555  1.17816     49.9479     5.32531     229.948     
1 1 1 18 8  49 o 17.1203 5.24549 2.70824      2.56525  2.0806       2.54553  12.4593     27.1294     1.19738     27.1294     
1 1 1 18 8  50 o 13.1402 4.40829 -0.302786    2.41813  -0.320021    2.38461  7.88829     11.969      0.186831    191.969     
1 1 1 18 8  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 9  0  o 18.9985 7.32365 2.86261      3.03906  2.86261      3.03906  3.04816     180         16.8275     180         
1 1 1 18 9  1  o 70.3937 3.5241  26.4606      3.75115  28.4879      3.83825  65.3572     287         11.591      107         
1 1 1 18 9  2  o 53.3983 4.27863 16.4704      3.43915  15.5694      3.46948  57.9817     345.072     15.4402     345.072     
1 1 1 18 9  3  o 71.0548 3.50066 30.0934      3.83529  25.9463      3.76527  74.6315     317.671     6.29872     317.671     
1 1 1 18 9  4  o 79.4633 3.26565 37.8415      4.01877  32.0664      3.92445  85.2157     169.128     8.80934     169.128     
1 1 1 18 9  5  o 126.677 2.76856 86.1934      5.81226  90.2272      4.91311  139.696     323.98      15.5205     323.98      
1 1 1 18 9  6  f 22.2395 6.10217 2.37948      3.21323  1.44468      2.76526  15.5465     2.08881     0           0           
1 1 1 18 9  7  o 71.1417 3.31932 30.6266      3.71421  25.5491      3.51023  77.0056     274.505     10.5434     274.505     
1 1 1 18 9  8  o 52.2599 3.86554 16.0863      3.00256  14.5252      3.11118  47.46       99.9477     7.29533     279.948     
1 1 1 18 9  9  o 83.4919 2.79055 38.5446      3.59975  38.274       3.55544  93.2412     211.721     15.6082     211.721     
1 1 1 18 9  10 o 110.06  2.46998 65.3849      4.20171  67.7198      4.15806  149.348     41.8905     71.6097     41.8905     
1 1 1 18 9  11 o 75.4724 3.07484 28.9483      3.5398   34.2013      3.5586   88.5244     234.725     23.6823     234.725     
1 1 1 18 9  12 o 37.5302 5.04026 7.20405      2.83249  9.2263       2.76602  29.6744     76.6964     10.1931     256.696     
1 1 1 18 9  13 o 68.1362 3.26235 30.7573      3.40326  21.2903      3.32234  69.699      231.561     0.634816    231.562     
1 1 1 18 9  14 o 72.2294 3.19168 27.1891      3.24084  30.8632      3.82527  84.8384     112.402     22.4694     112.402     
1 1 1 18 9  15 o 44.6438 4.39714 13.3139      2.84158  9.65873      2.94675  42.7459     203.942     2.17033     23.9418     
1 1 1 18 9  16 o 30.7518 5.68646 3.85951      2.66889  7.55079      2.91449  30.111      281.84      10.5643     281.84      
1 1 1 18 9  17 o 12.4441 4.1785  -4.37285     2.21669  -1.40053     2.20822  11.4312     304.262     40.648      304.262     
1 1 1 18 9  18 o 21.9628 5.48181 1.0989       2.32977  3.74195      2.47055  11.9698     151.811     13.0885     331.811     
1 1 1 18 9  19 o 42.4584 4.15855 8.54059      2.5969   12.3956      2.61117  21.0971     189.7       43.8077     9.69978     
1 1 1 18 9  20 o 22.1068 5.63262 2.16974      2.2816   2.96042      2.62239  12.9436     353.853     11.3443     173.853     
1 1 1 18 9  21 f 92.7007 2.61031 43.9966      3.60812  51.578       3.82561  106.319     172.142     0           0           
1 1 1 18 9  22 o 46.6502 3.91149 14.788       2.64306  10.414       2.75326  37.904      359.636     18.4562     179.636     
1 1 1 18 9  23 o 22.6065 5.4391  2.73301      2.30985  3.09373      2.22617  14.4986     141.114     6.42787     141.114     
1 1 1 18 9  24 o 47.3114 3.71216 11.4335      2.63253  14.3671      2.65278  45.1441     108.942     4.98474     288.942     
1 1 1 18 9  25 o 31.8082 5.24569 6.59756      2.6638   5.8656       2.38172  29.7769     59.5278     1.0528      239.528     
1 1 1 18 9  26 o 44.7105 3.88518 13.3272      2.61786  9.99869      2.57133  36.1624     242.078     17.9162     62.0776     
1 1 1 18 9  27 o 23.3899 5.39366 2.40028      2.33403  4.08555      2.22896  24.0102     141.179     12.3024     141.179     
1 1 1 18 9  28 o 56.0275 3.60742 17.9626      3.34414  18.3054      2.76745  55.7141     270.497     2.75975     90.4967     
1 1 1 18 9  29 o 15.4925 4.76636 0.838574     2.06403  -1.24627     2.32854  6.90089     348.506     1.05342     348.506     
1 1 1 18 9  30 o 31.4501 5.03405 5.33965      2.39402  7.19775      2.38625  31.3781     276.147     2.26747     276.147     
1 1 1 18 9  31 o 18.5096 4.96585 3.33688      2.207    -0.901079    2.17661  11.4993     252.345     7.38026     72.3451     
1 1 1 18 9  32 o 19.2758 5.24007 2.46939      2.20342  1.31026      2.2225   14.0842     310.151     3.41535     310.151     
1 1 1 18 9  33 o 24.7681 5.5775  2.8837       2.68402  4.97491      2.30583  22.9992     112.619     2.48287     112.619     
1 1 1 18 9  34 o 18.7846 5.56347 -0.0965526   2.62707  2.54337      2.89208  11.0359     94.8481     9.01277     274.848     
1 1 1 18 9  35 o 19.9546 6.058   2.26547      3.39617  0.822439     3.32086  12.0952     221.087     10.2688     41.0868     
1 1 1 18 9  36 o 38.8821 5.37942 12.896       3.13081  7.96572      3.0633   35.1965     307.347     6.05806     127.347     
1 1 1 18 9  37 o 31.4972 5.33958 6.69569      2.50726  7.21458      2.60599  30.7597     321.802     0.790061    321.802     
1 1 1 18 9  38 o 16.8294 5.26672 -0.794148    2.85152  1.62288      2.68177  13.6431     198.282     1.03572     198.282     
1 1 1 18 9  39 o 18.167  5.52915 1.82142      2.86793  1.19615      2.72925  15.3652     332.161     3.99122     332.161     
1 1 1 18 9  40 o 14.8222 4.68648 -2.08646     2.32448  1.51731      2.30142  8.24481     79.3836     5.82458     259.384     
1 1 1 18 9  41 o 14.4408 4.71139 -0.29804     2.44319  -0.468864    2.43893  8.48083     345.159     6.17085     165.159     
1 1 1 18 9  42 o 17.4843 5.384   2.56332      2.92517  0.662559     2.51235  9.19766     345.267     13.3235     165.267     
1 1 1 18 9  43 o 21.9129 5.64139 3.68243      2.45571  4.32657      2.4873   12.8219     25.5635     15.2645     205.564     
1 1 1 18 9  44 o 18.0289 5.24533 0.9118       2.42873  3.42966      2.42963  16.5946     16.8558     5.61776     16.8558     
1 1 1 18 9  45 o 20.2255 5.25453 5.6824       2.4708   0.389632     2.50077  16.7484     98.7976     2.40439     278.798     
1 1 1 18 9  46 o 17.443  5.22623 2.02224      2.43349  2.36812      2.43091  5.67663     123.731     3.11105     123.731     
1 1 1 18 9  47 o 17.2402 5.17727 0.994304     2.43415  3.03544      2.45535  10.4541     140.276     3.00078     320.276     
1 1 1 18 9  48 o 14.0936 4.61575 1.35079      2.44523  -1.42763     2.40326  3.16485     337.475     0.160578    157.475     
1 1 1 18 9  49 o 16.8724 5.22963 4.8322       2.95526  -0.298834    2.41972  12.8613     62.0117     0.112805    242.012     
1 1 1 18 9  50 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 10 0  o 81.3677 2.84933 36.4873      3.55007  36.4873      3.55007  85.48       180         0.299088    8.6516e-06  
1 1 1 18 10 1  o 63.4052 3.36839 25.0709      3.27076  19.7112      3.22464  64.9093     51.696      3.34967     51.696      
1 1 1 18 10 2  o 77.7304 2.92725 29.5499      3.47249  37.3418      3.47144  82.2148     309.542     6.36689     309.542     
1 1 1 18 10 3  o 52.701  3.80241 13.3611      3.02791  17.8882      2.98887  53.83       359.978     5.75373     359.978     
1 1 1 18 10 4  o 107.887 2.51753 64.3278      4.16982  63.5641      4.18346  116.17      342.464     9.10465     342.465     
1 1 1 18 10 5  o 150.242 2.26436 121.974      5.22518  125.448      5.25187  140.125     5.66801     33.5118     185.668     
1 1 1 18 10 6  o 121.655 2.39285 81.5621      4.47172  80.9358      4.48476  144.937     250.926     37.6057     250.926     
1 1 1 18 10 7  o 27.6891 5.47292 6.66087      2.63469  2.10027      2.56277  14.5508     298.977     4.04637     118.977     
1 1 1 18 10 8  o 71.3001 3.03863 27.5958      3.34284  28.6862      3.2965   60.1916     128.539     25.2621     308.539     
1 1 1 18 10 9  o 52.7947 3.80204 16.1962      3.22645  15.1118      2.86771  57.9218     326.236     12.735      326.236     
1 1 1 18 10 10 o 19.7213 5.5864  2.28483      2.84304  -0.00419675  2.39714  0.0679487   357.4       24.9062     177.4       
1 1 1 18 10 11 o 65.2842 3.59914 21.8589      3.54052  25.8808      3.62402  81.7243     70.5886     32.7083     70.5886     
1 1 1 18 10 12 o 93.6238 2.76809 51.7777      4.03193  45.2054      3.9244   104.336     280.857     15.4874     280.857     
1 1 1 18 10 13 o 79.7353 2.98018 34.1086      3.67588  36.4543      3.61052  94.7771     121.359     26.1682     121.359     
1 1 1 18 10 14 o 42.1667 4.26291 9.38257      2.70322  11.0513      2.65292  34.0061     57.6213     15.475      237.621     
1 1 1 18 10 15 o 28.7612 5.49787 4.47786      2.55564  5.4077       2.44912  17.3048     165.76      19.3215     345.76      
1 1 1 18 10 16 o 31.6456 5.7051  7.73391      2.69271  4.29392      3.0597   23.5128     207.847     13.4145     27.8474     
1 1 1 18 10 17 o 41.9058 5.13162 13.4802      2.86126  7.59725      3.29738  30.6453     257.591     22.5273     77.5907     
1 1 1 18 10 18 o 20.8613 5.3883  3.33009      2.28982  0.413309     2.51198  6.67949     165.52      23.0733     345.52      
1 1 1 18 10 19 o 35.7406 4.90004 5.72266      2.47389  9.69201      2.72441  45.264      137.353     32.6503     137.353     
1 1 1 18 10 20 o 28.4517 5.51447 4.04073      2.38965  5.87483      2.62065  28.3966     30.0175     7.17256     30.0175     
1 1 1 18 10 21 o 33.1636 4.90129 6.94481      2.41185  6.28666      2.43287  35.0931     295.118     7.90098     295.118     
1 1 1 18 10 22 o 18.0444 5.00048 2.49404      2.18929  -0.5335      2.12415  6.86349     147.151     0.279494    327.151     
1 1 1 18 10 23 o 52.7311 3.42155 14.443       2.7567   17.2841      2.71179  48.3141     283.425     10.1082     103.425     
1 1 1 18 10 24 o 21.0638 5.55172 3.37201      2.7214   1.18081      2.16411  9.41759     226.118     18.6075     46.118      
1 1 1 18 10 25 o 30.3072 5.57402 5.88636      2.90092  5.62857      2.35999  35.1053     327.86      15.1835     327.86      
1 1 1 18 10 26 o 22.7025 5.11859 0.763438     2.25345  4.90974      2.23936  11.7026     348.544     19.4761     168.544     
1 1 1 18 10 27 o 44.8906 3.86035 11.9279      2.60609  11.6674      2.62075  58.875      221.416     28.3212     221.416     
1 1 1 18 10 28 o 61.7988 3.12161 23.4004      2.97197  20.3127      2.92099  71.3067     228.78      17.2892     228.78      
1 1 1 18 10 29 o 23.4485 5.20677 5.1394       2.28868  1.52132      2.2269   18.4604     66.5038     5.87093     246.504     
1 1 1 18 10 30 o 16.7368 4.88765 -0.679689    2.16871  1.91169      2.12627  9.33341     45.1082     5.43905     225.108     
1 1 1 18 10 31 o 15.8164 4.80899 -0.623787    2.16561  1.07941      2.14316  7.71045     280.106     4.56082     100.106     
1 1 1 18 10 32 o 20.2159 5.32339 1.49608      2.29742  3.02066      2.22601  15.8928     109.859     0.830585    109.859     
1 1 1 18 10 33 o 18.969  5.441   2.20668      2.53249  1.07955      2.45325  11.0344     24.6594     4.13771     24.6594     
1 1 1 18 10 34 o 24.8423 5.76399 5.83119      2.68544  2.59386      2.65627  15.4901     358.433     15.3896     178.433     
1 1 1 18 10 35 o 25.6361 6.15069 3.67824      2.91851  5.97434      2.98355  28.3017     349.155     17.6923     349.155     
1 1 1 18 10 36 o 18.3871 5.5803  0.574404     2.78073  2.1237       2.92295  14.0904     328.669     2.33213     148.669     
1 1 1 18 10 37 o 20.6455 5.78433 1.07146      2.80338  4.24369      2.8835   17.0536     82.9207     2.8161      262.921     
1 1 1 18 10 38 o 19.5526 5.70959 2.93044      2.82967  1.64596      2.78738  18.0382     4.82817     7.52454     4.82817     
1 1 1 18 10 39 o 14.7936 4.76992 -1.73717     2.30134  1.03241      2.56915  6.30219     359.718     1.01777     359.718     
1 1 1 18 10 40 o 20.0956 5.50319 1.46248      2.51313  4.1455       2.53638  14.7399     170.641     6.52796     350.641     
1 1 1 18 10 41 o 19.3367 5.48657 4.00532      2.6251   1.12036      2.54848  17.0761     61.3119     0.102649    241.311     
1 1 1 18 10 42 o 15.5475 4.95371 0.591207     2.49364  0.590845     2.50836  12.5352     154.272     2.13681     154.272     
1 1 1 18 10 43 o 27.6304 5.90494 7.02896      2.80883  6.18462      2.64251  30.8522     353.128     11.2486     353.128     
1 1 1 18 10 44 o 15.5421 4.8908  0.131155     2.37081  1.67898      2.39209  10.5159     232.486     3.99545     52.4863     
1 1 1 18 10 45 o 14.2743 4.63827 -0.753267    2.32076  0.951146     2.38181  8.3385      205.497     4.2617      25.4965     
1 1 1 18 10 46 o 18.4151 5.34045 1.84725      2.44159  3.49746      2.46844  11.0309     294.838     4.4408      294.838     
1 1 1 18 10 47 o 14.9149 4.80584 0.447753     2.45402  0.887007     2.42125  6.12191     310.16      1.23277     130.16      
1 1 1 18 10 48 f 18.4823 5.3991  4.59561      2.61048  1.767        2.56268  16.3695     299.372     0           0           
1 1 1 18 10 49 o 15.301  4.84385 3.16131      2.5043   -1.20089     2.49177  10.9082     325.764     4.97735     325.764     
1 1 1 18 11 0  f 102.725 2.5532  57.9331      4.02746  57.9331      4.02746  84.7154     360         0           0           
1 1 1 18 11 1  o 39.2969 4.73924 9.1501       2.76632  8.64982      2.76263  27.9192     32.2358     18.3413     212.236     
1 1 1 18 11 2  o 40.9981 4.52946 9.09434      2.789    10.175       2.73251  33.5841     328.473     10.2462     148.473     
1 1 1 18 11 3  o 46.5214 4.07472 13.2997      2.87028  11.2254      2.82679  41.2182     290.392     7.74513     110.392     
1 1 1 18 11 4  o 35.3164 5.12538 8.9423       2.71022  5.75859      2.68274  30.7785     8.65306     0.277871    8.65293     
1 1 1 18 11 5  o 15.5743 4.90538 -0.209153    2.40361  -1.50012     2.38521  11.9251     25.8035     43.7629     25.8035     
1 1 1 18 11 6  o 21.1748 5.49805 3.45643      2.50437  0.183954     2.4938   0.904503    227.666     0.934521    47.6655     
1 1 1 18 11 7  o 60.8311 3.44791 17.6937      3.0527   23.853       3.33115  48.7517     300.688     25.704      120.688     
1 1 1 18 11 8  o 19.3225 5.27506 2.96071      2.44733  -1.13369     2.43298  3.07859     35.2514     7.79421     215.251     
1 1 1 18 11 9  o 35.4777 4.94189 6.42047      2.58146  8.36518      2.62281  29.9668     315.005     5.91674     135.005     
1 1 1 18 11 10 o 49.8591 3.77408 16.0393      2.85247  12.1605      2.80691  43.6951     37.6693     12.1976     217.669     
1 1 1 18 11 11 o 20.9331 5.59561 3.0194       2.57774  0.566792     2.52537  7.17245     198.723     17.2298     18.7227     
1 1 1 18 11 12 o 25.443  6.01035 4.15343      2.64805  3.08067      2.93764  15.3189     228.898     13.4986     48.8983     
1 1 1 18 11 13 o 50.9265 4.32913 16.3066      3.35254  13.493       3.27904  53.2566     181.552     4.25451     181.552     
1 1 1 18 11 14 o 31.1051 5.29219 1.57408      3.1132   9.59706      2.62117  19.5021     222.041     20.7757     42.0407     
1 1 1 18 11 15 o 52.7636 4.21648 15.5531      3.78804  16.3742      2.80525  45.54       338.866     15.7556     158.866     
1 1 1 18 11 16 o 56.1421 3.64419 16.7967      3.11008  18.9485      3.11007  50.334      82.704      13.3339     262.704     
1 1 1 18 11 17 o 17.0927 5.03505 1.89338      2.38808  -1.80148     2.32241  2.79436     36.9616     20.8445     216.962     
1 1 1 18 11 18 o 45.5551 3.89386 10.4118      2.63466  13.5174      2.67756  49.6297     240.182     8.91577     240.182     
1 1 1 18 11 19 o 71.7072 2.87956 27.2413      3.16553  30.3156      3.15975  82.135      171.978     18.0833     171.978     
1 1 1 18 11 20 o 52.1461 3.47642 16.4473      2.75146  14.5397      2.7554   43.2988     40.0297     18.8544     220.03      
1 1 1 18 11 21 o 31.7084 5.32281 3.78739      2.93937  8.52063      2.42366  16.0807     70.1342     29.6669     250.134     
1 1 1 18 11 22 o 52.7856 3.61311 18.3121      2.81082  13.7548      2.91218  50.9572     352.363     4.45566     172.363     
1 1 1 18 11 23 o 43.1451 4.29856 12.1616      2.65582  9.80388      2.83552  23.5657     114.848     39.6727     294.848     
1 1 1 18 11 24 o 17.053  5.07541 1.03763      2.17855  -0.00813524  2.40355  10.2373     260.343     2.78662     80.3431     
1 1 1 18 11 25 f 18.6868 5.17388 0.778515     2.22565  2.12941      2.17049  14.9917     29.4855     0           0           
1 1 1 18 11 26 o 16.9596 4.94554 0.180498     2.15219  1.39272      2.08248  10.4007     291.717     7.31928     111.717     
1 1 1 18 11 27 o 18.399  5.06066 2.64283      2.1526   -0.0202226   2.20023  10.2023     30.4951     11.5334     210.495     
1 1 1 18 11 28 o 18.38   5.18407 1.14277      2.19175  1.77411      2.23805  12.6206     331.348     3.09812     151.348     
1 1 1 18 11 29 o 36.1271 4.67526 9.17568      2.45944  7.10588      2.52789  28.7473     78.7009     13.3436     258.701     
1 1 1 18 11 30 o 37.9162 4.49016 8.35175      2.5532   9.3912       2.49463  42.4028     23.4952     11.5283     23.4952     
1 1 1 18 11 31 o 18.1469 5.06601 2.63953      2.20114  -0.0193119   2.19536  11.5422     257.968     1.28197     257.968     
1 1 1 18 11 32 o 39.7916 5.01826 14.06        2.92698  6.81987      2.86693  48.8201     330.872     21.3358     330.872     
1 1 1 18 11 33 o 26.6498 5.88141 5.63078      2.73661  4.41832      2.63839  27.4126     239.239     7.43677     239.239     
1 1 1 18 11 34 o 15.0111 4.75244 -0.468252    2.24616  0.233701     2.28559  8.04723     318.989     4.4601      138.989     
1 1 1 18 11 35 o 23.9688 5.73143 4.45676      2.50085  3.87743      2.53949  20.5676     114.078     2.80212     294.078     
1 1 1 18 11 36 o 28.7284 5.33161 3.43796      2.60232  8.53309      2.56173  36.3203     127.06      20.1934     127.06      
1 1 1 18 11 37 o 24.235  6.54278 4.86129      3.71164  4.71109      3.11592  26.033      43.4946     11.2626     43.4946     
1 1 1 18 11 38 o 25.8502 6.33265 1.88503      3.52798  8.74928      3.47657  25.6488     105.599     5.12992     105.599     
1 1 1 18 11 39 o 21.4975 5.63766 1.08552      2.39876  5.83915      2.89728  16.9935     356.343     4.69408     176.343     
1 1 1 18 11 40 o 23.6152 5.27    6.82478      2.45239  1.50825      2.50372  26.5962     216.938     10.7651     216.938     
1 1 1 18 11 41 o 24.9224 6.02034 6.02971      2.8088   4.83921      2.77089  23.4139     96.2054     0.951931    96.2053     
1 1 1 18 11 42 o 16.2485 5.04985 1.76638      2.39776  0.569688     2.53076  10.9835     207.524     5.02275     27.5244     
1 1 1 18 11 43 o 11.8818 4.0652  -2.55049     2.29138  -1.5229      2.27121  5.46891     2.92606     3.60604     182.926     
1 1 1 18 11 44 o 16.6362 5.08947 0.0926452    2.43496  2.93057      2.51061  12.3653     309.311     2.11547     129.311     
1 1 1 18 11 45 o 16.7244 5.03908 -0.606169    2.42755  3.4935       2.47151  10.7023     315.208     2.68478     135.208     
1 1 1 18 11 46 o 15.6571 4.92744 0.334596     2.39304  1.94475      2.44014  7.37463     341.078     1.79163     161.078     
1 1 1 18 11 47 o 15.9629 4.9907  0.541898     2.4579   2.62737      2.46357  8.48879     338.618     2.25191     338.618     
1 1 1 18 11 48 o 12.9388 4.33917 -3.2629      2.37416  1.38526      2.4279   4.7291      120.138     1.06841     120.138     
1 1 1 18 11 49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 12 0  o 20.726  7.21315 3.59234      2.74642  3.59234      2.74642  7.76338     360         10.5832     180         
1 1 1 18 12 1  o 76.0728 2.88968 32.8555      3.39404  31.2667      3.3506   102.999     145.095     52.8022     145.095     
1 1 1 18 12 2  o 23.3405 5.80049 3.7618       2.71923  1.88314      2.52294  6.07734     232.429     26.1533     52.4287     
1 1 1 18 12 3  o 93.5273 2.62433 48.39        3.79553  48.1758      3.74862  114.478     73.4975     37.4233     73.4975     
1 1 1 18 12 4  o 75.5844 2.89863 30.3757      3.3606   32.9836      3.35687  80.9985     299.172     8.00029     299.172     
1 1 1 18 12 5  o 50.2384 3.773   12.9237      2.84887  15.637       2.87736  56.8897     39.6901     15.2599     39.6901     
1 1 1 18 12 6  o 53.4249 3.7494  13.2951      2.87392  19.1655      3.1762   65.9786     241.304     26.949      241.304     
1 1 1 18 12 7  o 101.71  2.51981 55.7632      3.95298  58.4295      3.92559  128.085     313.552     47.1889     313.552     
1 1 1 18 12 8  o 73.0115 3.0835  31.4103      3.3283   27.9919      3.54643  86.7406     208.816     24.9451     208.816     
1 1 1 18 12 9  o 30.233  5.36782 8.23882      2.59484  2.563        2.80814  29.634      345.843     6.30781     345.843     
1 1 1 18 12 10 o 122.652 2.44678 79.2713      4.48058  86.8859      4.75387  129.414     268.428     5.37118     268.428     
1 1 1 18 12 11 o 62.7446 3.41909 26.0445      3.32151  18.5103      3.17774  53.3366     87.8683     21.2458     267.868     
1 1 1 18 12 12 o 21.9455 5.69508 2.79181      2.54458  2.0155       2.51459  4.96077     34.5701     29.4362     214.57      
1 1 1 18 12 13 o 41.963  4.67279 7.34581      2.84266  13.6798      2.79072  47.1678     321.833     12.7656     321.833     
1 1 1 18 12 14 o 32.5172 5.14163 7.29493      2.55008  5.45355      2.48377  27.9606     133.354     5.75092     313.354     
1 1 1 18 12 15 o 53.9578 3.8376  17.3041      3.46848  15.9454      2.8042   47.0362     154.452     14.8826     334.452     
1 1 1 18 12 16 o 27.3698 5.73856 5.60417      2.66225  3.48618      2.60585  18.3924     30.5096     13.7087     210.51      
1 1 1 18 12 17 o 28.2054 5.95751 2.28213      3.53167  6.7022       2.63964  18.1568     330.478     16.3775     150.478     
1 1 1 18 12 18 o 41.4402 4.86584 11.8317      3.46213  8.77956      2.54429  28.8975     262.24      24.5853     82.2401     
1 1 1 18 12 19 o 29.4745 5.40105 5.5287       2.52249  5.19278      2.42038  26.7729     92.9808     0.781781    272.981     
1 1 1 18 12 20 o 43.8415 4.22317 15.2548      2.78059  7.80775      2.57096  34.9189     324.596     17.5457     144.596     
1 1 1 18 12 21 o 58.6006 3.23232 20.3458      2.89744  18.6349      2.88562  64.9716     112.357     11.8968     112.357     
1 1 1 18 12 22 o 21.9917 5.56716 1.38809      2.23941  3.94008      2.65431  17.3892     272.448     2.74935     92.4476     
1 1 1 18 12 23 o 62.7104 3.10888 25.1373      2.98134  19.6534      2.94981  67.5941     28.6642     8.22388     28.6642     
1 1 1 18 12 24 o 48.9844 3.69128 11.9461      2.72817  16.0558      2.68376  55.4336     280.468     12.6152     280.468     
1 1 1 18 12 25 o 24.8531 5.54296 4.52542      2.3335   3.21632      2.47121  16.5411     117.332     13.8177     297.332     
1 1 1 18 12 26 o 35.6803 4.80063 9.0995       2.48859  6.74464      2.57255  34.5651     186.577     0.393804    6.57662     
1 1 1 18 12 27 o 55.2421 3.55905 16.5998      2.86164  19.1183      3.12869  57.652      121.881     4.78193     121.88      
1 1 1 18 12 28 o 17.886  5.2289  0.972731     2.19074  1.32847      2.49334  10.0277     148.94      1.83989     148.94      
1 1 1 18 12 29 o 13.4728 4.3838  -1.43983     2.13701  -0.742874    2.06228  2.76644     346.332     11.611      166.332     
1 1 1 18 12 30 o 19.4857 5.359   3.08242      2.50924  0.752927     2.2166   13.2303     211.019     4.52218     31.0191     
1 1 1 18 12 31 o 26.3596 5.7803  3.46784      2.73261  6.02027      2.62068  23.7787     11.9706     0.116829    191.971     
1 1 1 18 12 32 o 29.0486 5.67996 7.46255      2.70397  4.39757      2.69909  28.4356     354.692     3.07412     354.692     
1 1 1 18 12 33 o 18.5194 5.25613 1.83067      2.29904  1.8245       2.27269  14.4056     226.308     5.1045      226.308     
1 1 1 18 12 34 o 15.3482 4.84107 -0.893919    2.34993  0.872421     2.36201  8.60889     159.967     2.32743     159.967     
1 1 1 18 12 35 o 17.415  5.2169  1.76849      2.43119  0.800823     2.43698  14.2608     193.125     0.280482    193.125     
1 1 1 18 12 36 o 14.662  4.68305 -0.3362      2.24487  0.124742     2.26118  8.63053     186.961     4.48335     6.96076     
1 1 1 18 12 37 o 22.0247 5.83797 2.33978      2.75484  4.87171      2.7644   20.9356     212.628     12.1778     212.628     
1 1 1 18 12 38 o 19.5374 5.70991 2.6936       2.88787  2.46782      2.69989  16.254      185.174     9.44524     185.174     
1 1 1 18 12 39 o 17.0299 5.2588  -0.820738    2.71665  2.79582      2.73506  11.7057     74.1236     7.11599     74.1236     
1 1 1 18 12 40 o 22.4428 6.16888 5.24327      3.1128   3.75091      3.04594  22.7248     43.4137     6.30082     43.4137     
1 1 1 18 12 41 o 16.9875 5.08035 3.52402      2.50995  -1.0856      2.49072  14.5887     289.664     4.04847     289.664     
1 1 1 18 12 42 o 17.8946 5.37018 2.22669      2.49417  2.27498      2.65404  15.3227     259.335     2.125       259.335     
1 1 1 18 12 43 o 12.8485 4.32083 -0.9313      2.34309  -1.20018     2.32671  6.94012     0.580411    3.26723     180.58      
1 1 1 18 12 44 o 14.3344 4.63502 -2.34358     2.42703  1.85349      2.40868  2.04678     180.661     0.223405    180.661     
1 1 1 18 12 45 o 13.4447 4.48552 -0.75128     2.36967  -0.401639    2.47153  3.14207     13.3029     3.3206      193.303     
1 1 1 18 12 46 o 19.4137 5.45763 4.9773       2.55433  1.84019      2.60819  12.3585     214.833     7.92064     34.833      
1 1 1 18 12 47 o 19.2233 5.43809 5.21038      2.57562  2.04614      2.5487   15.757      15.7255     0.701708    195.725     
1 1 1 18 12 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 13 0  o 13.2406 5.86163 0.655139     2.46562  0.655139     2.46562  5.43208     360         30.4239     360         
1 1 1 18 13 1  o 89.8822 2.67332 44.6794      3.69505  44.7665      3.68863  92.1697     94.5335     0.0637064   94.5334     
1 1 1 18 13 2  o 57.9173 3.41755 19.1871      3.0451   18.4863      2.99527  54.0759     324.181     8.91695     144.181     
1 1 1 18 13 3  o 62.7566 3.23019 24.4442      3.10854  19.7377      3.06645  61.212      145.476     4.8861      325.476     
1 1 1 18 13 4  o 24.1266 5.8054  2.41746      2.48164  4.04774      2.72368  12.4301     199.231     17.8139     19.231      
1 1 1 18 13 5  o 31.0275 6.08668 5.8945       2.59421  5.74969      3.47098  32.6794     82.7943     12.4268     82.7943     
1 1 1 18 13 6  o 26.5698 5.7096  5.23364      2.53952  3.02318      2.67529  20.8784     301.033     4.68011     121.033     
1 1 1 18 13 7  o 84.701  2.71607 38.4244      3.5499   41.2117      3.5118   80.2368     203.776     12.9621     23.7762     
1 1 1 18 13 8  o 51.8049 3.68999 16.7025      2.90763  13.8036      2.87744  47.0098     309.188     10.0263     129.188     
1 1 1 18 13 9  o 32.9976 5.1649  5.6802       2.5658   7.40607      2.55523  20.6765     240.44      22.3727     60.4402     
1 1 1 18 13 10 o 21.9092 5.52509 1.36866      2.40987  3.49015      2.42685  12.8738     282.483     3.36714     282.483     
1 1 1 18 13 11 o 31.1242 5.62727 5.80922      2.735    6.01079      2.68044  20.1858     133.987     18.8759     313.987     
1 1 1 18 13 12 o 47.0137 4.16461 11.9425      2.98301  13.5962      2.89278  59.7674     238.585     28.0565     238.585     
1 1 1 18 13 13 o 26.4302 6.17471 4.21309      3.28281  4.07211      2.58046  19.6796     133.844     7.50068     313.843     
1 1 1 18 13 14 o 67.0549 3.45377 22.1204      3.76788  28.9679      3.1221   66.9892     298.119     1.84569     118.119     
1 1 1 18 13 15 o 62.1909 3.55931 25.5158      3.79794  18.7484      2.97756  65.1143     157.808     4.82084     157.808     
1 1 1 18 13 16 o 55.7936 3.73546 16.0532      3.15173  19.7005      3.15939  53.3675     343.649     5.36994     163.649     
1 1 1 18 13 17 o 12.8383 4.28436 -2.12381     2.20496  -2.24826     2.22018  0.26243     130.222     1.76469     310.222     
1 1 1 18 13 18 o 43.9407 4.02564 10.6349      2.69589  11.8484      2.60794  46.8283     266.113     7.27093     266.113     
1 1 1 18 13 19 o 26.0121 5.14329 6.51816      2.39464  1.5616       2.34491  14.3247     251.78      20.2577     71.7801     
1 1 1 18 13 20 o 16.9971 4.90123 -0.978397    2.16167  2.00526      2.14561  5.87518     108.498     16.4178     288.498     
1 1 1 18 13 21 o 38.036  4.79667 12.1228      2.82739  5.89649      2.52471  37.7688     188.305     0.921798    188.305     
1 1 1 18 13 22 o 17.1742 5.10638 1.69048      2.45861  -0.721503    2.24506  6.02414     9.56926     18.4584     189.569     
1 1 1 18 13 23 o 15.596  4.81121 0.123298     2.26837  -0.0746078   2.08318  7.26394     205.598     1.16839     205.598     
1 1 1 18 13 24 o 26.0644 5.55768 4.37636      2.50997  4.35451      2.32358  10.5721     91.9909     28.8035     271.991     
1 1 1 18 13 25 o 52.5011 3.4833  17.0398      2.81569  15.0863      2.74548  56.7495     306.983     8.9959      306.983     
1 1 1 18 13 26 o 28.2475 5.37929 4.82597      2.39762  5.58839      2.39545  22.7314     142.823     7.41424     322.823     
1 1 1 18 13 27 o 14.0135 4.50467 -0.862979    2.14956  -0.658713    2.09874  0.261355    163.098     22.5878     163.098     
1 1 1 18 13 28 o 14.6146 4.61653 -0.521154    2.10417  -0.159093    2.14048  2.31059     254.996     0.798255    74.9955     
1 1 1 18 13 29 o 25.9993 5.73382 5.94117      2.68541  3.19765      2.54406  20.1658     4.91004     7.10317     184.91      
1 1 1 18 13 30 o 19.8689 5.55359 2.83836      2.5297   1.32703      2.57046  13.2411     352.119     5.90765     352.119     
1 1 1 18 13 31 o 20.6381 5.44356 -0.29579     2.73898  4.48855      2.52269  11.1779     262.251     14.4504     82.2513     
1 1 1 18 13 32 o 16.4296 5.0029  1.41808      2.22972  -0.205615    2.4557   11.1006     143.363     1.33593     323.363     
1 1 1 18 13 33 o 18.0812 5.18612 0.231372     2.29566  2.89161      2.38529  15.5074     98.4915     2.9571      98.4915     
1 1 1 18 13 34 o 17.0747 5.05112 -1.49257     2.45249  2.90187      2.42363  12.2098     275.878     4.15036     95.878      
1 1 1 18 13 35 o 19.9862 5.54665 2.19478      2.69317  3.02564      2.35569  13.6206     357.368     8.00776     177.368     
1 1 1 18 13 36 o 19.7878 5.21696 5.13551      2.57559  -0.770731    2.36682  17.7937     303.563     8.14812     303.563     
1 1 1 18 13 37 o 17.8513 5.41989 0.917089     2.71578  2.30076      2.68505  8.61658     9.4338      14.3432     189.434     
1 1 1 18 13 38 o 30.8246 5.60267 8.91334      2.72844  6.04893      2.71293  22.8114     126.496     13.5282     306.496     
1 1 1 18 13 39 o 21.0476 5.61213 4.8961       2.62999  2.21761      2.48528  17.8502     328.794     1.87101     148.794     
1 1 1 18 13 40 o 17.9729 5.45377 2.1543       2.95272  2.1472       2.48136  15.8695     125.661     6.60033     125.661     
1 1 1 18 13 41 o 14.0658 4.75814 -1.43481     2.92112  -1.00233     2.91925  8.48868     292.943     0.980453    292.943     
1 1 1 18 13 42 f 20.4193 5.81357 5.48122      2.89809  1.5698       3.16446  10.7277     276.334     0           0           
1 1 1 18 13 43 o 17.6785 5.3222  2.3534       2.48102  2.28653      2.6047   5.99202     313.463     2.90935     313.463     
1 1 1 18 13 44 o 14.4787 4.71355 -0.0547422   2.40865  0.620196     2.4451   3.66372     252.925     1.55393     72.9247     
1 1 1 18 13 45 o 14.5112 4.75013 0.914188     2.58635  -0.00865154  2.43426  4.08565     325.822     0.218554    325.822     
1 1 1 18 13 46 o 15.4986 4.95589 1.70584      2.51271  1.33015      2.55086  10.7441     45.5122     0.68404     225.512     
1 1 1 18 13 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 14 0  o 34.8156 6.25783 7.98719      2.90045  7.98719      2.90045  13.5163     1.18514e-05 44.6695     180         
1 1 1 18 14 1  o 43.9927 4.70153 11.837       3.22122  10.8061      2.95175  37.1154     117.112     12.6743     297.112     
1 1 1 18 14 2  o 56.7093 3.63673 14.1228      2.95736  22.8082      3.23146  54.1883     358.373     5.51269     178.373     
1 1 1 18 14 3  o 53.2684 3.68657 13.4762      2.95284  18.9575      2.92981  82.0443     334.414     64.9406     334.414     
1 1 1 18 14 4  o 44.7162 4.2759  11.0453      2.76431  12.0907      2.97481  41.6578     172.848     4.903       352.848     
1 1 1 18 14 5  o 74.9648 2.91567 31.5517      3.37625  31.1477      3.32941  83.5191     241.116     15.1689     241.116     
1 1 1 18 14 6  o 42.5425 4.36107 8.8729       2.75125  12.2889      2.72316  27.7604     268.567     28.8863     88.5672     
1 1 1 18 14 7  o 45.0361 4.13444 13.4835      2.80629  10.0489      2.74286  47.6033     190.623     6.86322     190.623     
1 1 1 18 14 8  o 26.061  5.61287 3.17635      2.51401  4.92973      2.47346  16.4974     328.347     14.1095     148.347     
1 1 1 18 14 9  o 69.2244 3.34584 25.7614      3.84182  28.2966      3.1664   76.9767     233.471     14.3102     233.471     
1 1 1 18 14 10 o 34.6618 5.22057 5.08695      2.88749  9.60123      2.55353  20.3412     276.156     26.6616     96.1564     
1 1 1 18 14 11 o 24.7029 5.84542 3.98473      2.64612  3.16562      2.59938  14.798      305.332     14.4123     125.332     
1 1 1 18 14 12 o 53.6945 3.98753 17.0868      3.45079  16.1614      3.03907  50.1735     176.58      6.9755      356.58      
1 1 1 18 14 13 o 33.5841 5.18921 5.74852      2.69917  8.0504       2.5336   39.69       145.967     19.4576     145.967     
1 1 1 18 14 14 o 27.897  5.09248 1.54414      2.56007  7.70352      2.42825  24.6988     128.43      0.94907     308.43      
1 1 1 18 14 15 o 50.5911 4.46727 12.4421      3.50801  17.8081      3.05206  52.4232     257.705     4.56583     257.705     
1 1 1 18 14 16 o 33.818  5.3905  5.43643      2.78383  8.80513      2.74876  39.7242     251.897     17.7774     251.897     
1 1 1 18 14 17 o 27.7352 5.55654 5.79541      2.42727  3.72012      2.64837  30.6253     242.887     15.244      242.887     
1 1 1 18 14 18 o 96.1427 2.60688 47.9604      3.86929  55.5303      3.81405  108.961     312.668     23.0507     312.668     
1 1 1 18 14 19 o 98.9241 2.53651 57.0417      3.87137  52.4067      3.8395   111.403     173.615     22.2891     173.615     
1 1 1 18 14 20 o 33.1102 5.0079  5.78707      2.47051  7.841        2.49091  19.9057     337.733     25.3156     157.733     
1 1 1 18 14 21 o 23.0537 5.45971 3.90905      2.28571  2.51446      2.34448  21.5891     207.032     13.8152     207.032     
1 1 1 18 14 22 f 16.9949 4.97662 1.47307      2.16431  0.122316     2.14854  7.01672     265.023     0           0           
1 1 1 18 14 23 o 17.8698 5.11104 0.779122     2.17812  1.68574      2.20634  11.8213     359.279     0.515036    359.279     
1 1 1 18 14 24 o 17.4497 5.04062 0.331071     2.20565  1.75545      2.15563  10.5436     333.322     2.83496     153.322     
1 1 1 18 14 25 o 16.7792 4.98751 1.01513      2.19436  0.507649     2.18355  9.1557      21.655      2.75379     201.655     
1 1 1 18 14 26 o 16.7253 5.00219 -0.965565    2.51936  1.62081      2.15526  8.9141      354.001     3.49574     174.001     
1 1 1 18 14 27 o 14.7883 4.75163 0.0994462    2.46807  -1.66927     2.28321  4.22973     281.034     12.3091     101.034     
1 1 1 18 14 28 o 15.1925 4.83865 -0.667627    2.45813  -0.139641    2.31876  3.56535     14.1995     0.285934    194.199     
1 1 1 18 14 29 o 26.4824 5.86979 4.63896      2.70038  5.27822      2.63855  27.4532     276.374     8.84527     276.374     
1 1 1 18 14 30 o 14.9039 4.66744 -1.07833     2.20665  0.853426     2.13498  7.0871      266.801     0.602205    86.8007     
1 1 1 18 14 31 o 40.0105 4.6506  11.5147      2.79576  9.45979      2.72181  41.3047     358.88      5.02693     358.88      
1 1 1 18 14 32 o 21.7475 5.59631 3.11676      2.46606  3.56007      2.39845  19.9821     278.604     1.67768     278.604     
1 1 1 18 14 33 o 18.0237 5.01606 3.81157      2.37151  -1.43055     2.31898  10.9514     121.07      9.62327     301.07      
1 1 1 18 14 34 o 19.3871 5.50758 2.24179      2.52184  2.54851      2.50612  12.1244     204.777     9.55908     24.7768     
1 1 1 18 14 35 f 16.7522 5.14323 0.874153     2.30718  1.3672       2.61269  8.86497     68.5634     0           0           
1 1 1 18 14 36 o 32.1484 6.16636 5.7746       3.04709  11.6414      3.47416  25.9242     219.281     9.26269     39.2815     
1 1 1 18 14 37 o 17.2746 5.28016 1.21542      2.45349  1.92356      2.68931  14.4052     65.5256     8.23791     65.5256     
1 1 1 18 14 38 o 15.4877 4.84232 -1.15551     2.39229  2.06838      2.36899  7.73459     202.379     11.0767     22.3785     
1 1 1 18 14 39 o 19.7202 5.5196  3.5701       2.51345  2.67209      2.47927  13.58       308.471     7.59769     128.471     
1 1 1 18 14 40 o 18.9361 5.37899 0.977201     2.59985  4.23849      2.50292  12.529      71.8884     8.02841     251.888     
1 1 1 18 14 41 o 17.4495 5.33293 2.56396      2.63992  1.59208      2.62899  13.4695     301.655     1.1997      121.654     
1 1 1 18 14 42 o 17.7071 5.49286 0.445577     3.42939  3.26726      2.70006  10.9091     318.686     5.78838     138.686     
1 1 1 18 14 43 o 15.944  5.16039 0.420577     2.81736  1.56746      2.89086  6.61671     349.956     8.97207     169.956     
1 1 1 18 14 44 o 23.8354 5.90164 9.51901      3.20032  1.99511      3.05159  21.523      329.495     2.74477     329.495     
1 1 1 18 14 45 o 15.5195 4.94578 2.3367       2.50874  0.598533     2.5445   10.8159     337.225     1.5973      337.225     
1 1 1 18 14 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 15 0  o 15.7759 6.3585  1.93275      2.41696  1.93275      2.41696  0.747888    180         0.60811     360         
1 1 1 18 15 1  o 48.8876 3.98559 12.4993      2.97836  15.0712      2.87055  59.6063     142.662     23.8648     142.662     
1 1 1 18 15 2  o 50.8977 3.8556  18.3223      2.93275  11.7265      2.88368  61.3284     317.477     22.8174     317.477     
1 1 1 18 15 3  o 59.92   3.62617 22.4493      3.36641  18.4966      3.24531  80.1242     65.2285     41.9238     65.2285     
1 1 1 18 15 4  o 38.5167 5.11549 10.4204      3.22938  7.54078      2.62993  37.4893     283.404     1.0938      283.404     
1 1 1 18 15 5  o 23.988  6.08683 3.07125      3.25549  3.23855      2.49935  2.88595     59.6336     50.8406     59.6336     
1 1 1 18 15 6  o 52.325  3.86444 13.6719      3.11453  17.9082      2.92807  56.3463     333.262     9.14201     333.262     
1 1 1 18 15 7  o 76.6394 2.87495 34.5074      3.38377  31.2981      3.37174  88.8338     144.795     23.3817     144.795     
1 1 1 18 15 8  o 49.6797 3.77674 13.4148      2.86795  14.9651      2.80616  55.99       152.325     14.2753     152.325     
1 1 1 18 15 9  o 46.8578 3.95459 13.2939      2.84419  12.1217      2.74878  62.6641     98.2898     35.4953     98.2898     
1 1 1 18 15 10 o 29.0293 5.39434 2.92435      2.68932  7.37164      2.51423  23.1568     329.409     7.16845     149.409     
1 1 1 18 15 11 o 79.805  2.97901 36.275       3.6682   35.2967      3.62766  82.4361     49.9949     3.97638     49.995      
1 1 1 18 15 12 o 38.0924 4.95562 9.35862      2.83228  8.18524      2.76539  26.7927     120.167     20.7195     300.167     
1 1 1 18 15 13 o 53.4077 3.55904 15.9157      2.92615  16.7671      2.85394  53.071      169.05      0.0662858   349.049     
1 1 1 18 15 14 o 31.2955 5.47242 5.55142      2.77138  6.65414      2.49742  27.5806     165.994     3.82919     345.994     
1 1 1 18 15 15 o 16.2468 5.10282 -0.130923    2.50361  -0.742824    2.61501  8.11453     209.183     2.81963     29.183      
1 1 1 18 15 16 o 21.4595 5.67588 1.78624      2.55184  3.00035      2.54525  15.1119     213.612     7.41855     33.6122     
1 1 1 18 15 17 o 16.4959 4.98035 1.15672      2.3356   -0.630681    2.20879  9.99555     138.401     5.78746     318.401     
1 1 1 18 15 18 o 36.0558 4.84776 9.45469      2.62902  6.62458      2.54538  35.3768     184.937     0.694226    184.937     
1 1 1 18 15 19 o 20.3991 5.3332  1.00342      2.31498  3.25429      2.28768  8.5082      189.484     20.0815     9.48364     
1 1 1 18 15 20 o 31.4331 5.0895  5.63889      2.40942  6.87606      2.41983  31.1565     289.723     3.0576      289.723     
1 1 1 18 15 21 o 16.2318 4.9072  0.459404     2.18827  0.439251     2.16484  6.28511     61.344      12.8161     241.344     
1 1 1 18 15 22 o 12.7272 4.21655 -1.19934     2.10251  -2.0878      2.05708  0.802466    19.2435     1.25829     199.243     
1 1 1 18 15 23 o 42.8991 4.10958 11.3051      2.6745   10.8914      2.61562  36.4749     218.433     10.9396     38.4325     
1 1 1 18 15 24 o 17.3728 4.87758 -1.55105     2.21942  2.81839      2.17472  10.2315     325.532     1.88684     145.532     
1 1 1 18 15 25 o 18.1845 5.14562 0.717483     2.23227  2.13548      2.20518  10.8506     324.758     5.54181     144.758     
1 1 1 18 15 26 o 19.6532 5.26694 4.01215      2.48388  -0.72899     2.43562  6.30258     316.879     22.1542     136.879     
1 1 1 18 15 27 o 14.4559 4.66302 0.407668     2.39449  -2.32532     2.31663  5.42024     36.0772     2.6751      216.077     
1 1 1 18 15 28 o 20.4308 5.248   0.845968     2.27533  4.05947      2.29521  9.50285     27.9612     17.5159     207.961     
1 1 1 18 15 29 o 14.1922 4.65726 -0.896914    2.13321  -1.04913     2.71676  6.09667     47.5344     0.585638    227.534     
1 1 1 18 15 30 o 43.7231 5.19354 16.9144      3.98076  9.75819      2.80472  50.1454     37.9657     15.7877     37.9657     
1 1 1 18 15 31 o 14.5472 4.6628  0.389743     2.3122   -0.974971    2.22499  8.09272     295.261     6.66172     115.261     
1 1 1 18 15 32 o 18.5977 5.3103  2.29407      2.37459  1.78999      2.32772  14.1887     5.73182     2.51057     185.732     
1 1 1 18 15 33 o 17.1288 5.13161 0.712438     2.4064   1.9024       2.32855  9.05301     315.199     3.90029     315.199     
1 1 1 18 15 34 o 20.2299 5.42588 1.75434      2.42434  3.96555      2.38791  18.3293     67.2014     3.22138     67.2015     
1 1 1 18 15 35 o 21.4727 5.32348 0.408677     2.75574  5.67236      2.41295  19.3988     17.7706     0.693393    17.7705     
1 1 1 18 15 36 o 13.2974 4.48605 -1.46547     2.59739  -1.57017     2.51733  7.10169     271.242     2.04906     271.242     
1 1 1 18 15 37 o 19.582  5.23277 5.0283       2.46265  0.0255371    2.45011  14.2458     42.6815     6.0905      222.682     
1 1 1 18 15 38 o 17.6169 5.28052 2.13516      2.45323  1.97329      2.5151   11.6586     156.551     6.53685     336.551     
1 1 1 18 15 39 o 13.4899 4.5344  -0.762122    2.55872  -1.23837     2.57462  7.00326     46.9396     0.763351    46.9397     
1 1 1 18 15 40 o 13.2692 4.53396 -1.27266     2.43138  -2.15363     3.2015   3.09742     60.5261     0.452726    60.5261     
1 1 1 18 15 41 o 21.2846 5.75976 5.43974      2.71508  2.84387      2.75081  17.4329     115.125     0.726366    115.125     
1 1 1 18 15 42 o 17.6768 5.14341 4.32289      2.48362  -0.604729    2.57141  10.1244     331.443     1.66363     331.443     
1 1 1 18 15 43 o 18.1255 4.93542 -2.62206     2.55523  5.74119      2.47032  11.3344     22.4931     5.34935     22.4932     
1 1 1 18 15 44 o 16.597  5.18867 1.07507      2.89089  3.11404      2.52245  9.47927     359.661     8.37706     179.661     
1 1 1 18 15 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 16 0  o 15.1841 6.57171 1.35375      2.93295  1.35375      2.93295  2.87277     360         18.419      180         
1 1 1 18 16 1  o 21.8343 5.85268 1.53999      2.69253  3.09975      2.77732  11.3035     78.195      14.4154     258.195     
1 1 1 18 16 2  o 29.9851 5.70614 6.72631      2.62176  4.43195      2.87052  16.3093     103.227     23.9959     283.227     
1 1 1 18 16 3  o 18.0133 5.12259 2.78956      2.46196  -2.32097     2.45731  3.25022     53.7456     23.2367     233.746     
1 1 1 18 16 4  o 94.2924 2.61812 51.0145      3.79627  48.1577      3.78963  112.073     8.41228     34.4549     8.41228     
1 1 1 18 16 5  o 22.4104 5.64337 0.949129     2.77562  4.01883      2.45722  9.61436     307.429     20.3503     127.429     
1 1 1 18 16 6  o 34.7674 5.06272 10.1812      2.66656  4.85356      2.61093  39.0502     286.177     14.1271     286.177     
1 1 1 18 16 7  o 66.9251 3.09489 26.7738      3.1943   23.8331      3.14361  67.6862     224.389     1.64777     224.389     
1 1 1 18 16 8  o 66.8879 3.29411 22.4793      3.46383  28.4499      3.19516  65.0253     6.18843     3.67604     186.188     
1 1 1 18 16 9  o 39.6025 5.05112 10.5356      3.27603  8.55991      2.66469  45.2303     98.5996     14.9582     98.5996     
1 1 1 18 16 10 o 21.6472 5.63906 2.03396      2.60071  2.89397      2.39123  14.0032     214.175     9.19285     34.1755     
1 1 1 18 16 11 o 16.952  5.17277 -0.148202    2.52482  0.52216      2.41323  2.55809     71.3832     23.8665     251.383     
1 1 1 18 16 12 o 39.7629 4.92989 14.1244      2.87351  5.82395      2.77682  39.2586     99.4641     1.20406     99.4641     
1 1 1 18 16 13 o 21.3788 5.47641 1.12545      2.41658  3.635        2.41413  19.6853     92.4355     8.90274     92.4355     
1 1 1 18 16 14 o 38.7404 4.80295 8.44164      2.8847   9.85247      2.60187  42.8334     184.464     10.4976     184.464     
1 1 1 18 16 15 o 26.1777 5.02132 8.21505      2.69255  -0.682462    2.6117   25.6142     355.078     3.35159     355.078     
1 1 1 18 16 16 o 46.221  4.1722  14.3913      2.76425  11.119       2.94772  52.3549     207.075     14.2091     207.075     
1 1 1 18 16 17 o 21.6937 5.53853 2.37428      2.39356  3.08464      2.36645  16.3199     19.9338     4.8365      199.934     
1 1 1 18 16 18 o 64.6278 3.16214 23.2742      3.1187   24.7025      3.13444  69.4121     358.171     10.5606     358.171     
1 1 1 18 16 19 o 18.5789 5.07211 3.15953      2.26854  -0.656587    2.24521  12.4542     294.631     2.13037     114.631     
1 1 1 18 16 20 o 34.3143 4.88888 7.95454      2.50592  6.92251      2.48175  27.2861     314.352     10.9952     134.352     
1 1 1 18 16 21 o 19.4692 4.6532  -2.70909     2.24136  4.65339      2.17144  14.6034     139.363     3.01278     139.363     
1 1 1 18 16 22 o 20.6123 5.35417 3.23802      2.29057  1.60222      2.25022  1.01584     268.326     35.4903     88.3262     
1 1 1 18 16 23 o 31.7151 5.12379 7.33367      2.45546  5.76679      2.45303  26.0757     284.325     7.36465     104.325     
1 1 1 18 16 24 o 25.5178 5.52449 6.72405      2.66785  1.88835      2.53546  22.229      276.504     0.636037    96.5044     
1 1 1 18 16 25 f 21.1027 5.58335 1.49804      2.53593  3.81324      2.51493  20.4828     146.595     0           0           
1 1 1 18 16 26 f 18.5388 5.19655 1.15087      2.25072  2.42106      2.22063  26.408      77.979      0           0           
1 1 1 18 16 27 o 22.5251 5.47139 2.62907      2.31793  4.33593      2.35029  17.2262     153.663     5.51526     333.663     
1 1 1 18 16 28 o 42.9432 4.42057 10.5371      2.82198  13.3089      2.80585  40.1422     110.294     3.02597     290.294     
1 1 1 18 16 29 o 23.708  5.69386 4.36967      2.50453  3.92899      2.46139  25.1554     0.509469    9.16328     0.509469    
1 1 1 18 16 30 o 18.1449 5.35413 0.607385     2.54736  2.55719      2.53477  7.82413     348.106     4.64911     348.106     
1 1 1 18 16 31 o 18.5476 5.2391  2.8729       2.32605  1.21865      2.26929  14.9674     8.45319     6.06991     8.45319     
1 1 1 18 16 32 o 12.2659 4.13466 -3.32518     2.21614  -0.641675    2.18717  2.37449     180.713     0.82047     0.712951    
1 1 1 18 16 33 o 14.8581 4.74427 0.933072     2.36913  -0.825648    2.29676  0.804268    147.07      24.4502     327.07      
1 1 1 18 16 34 o 16.9263 5.17503 2.32895      2.65357  0.454872     2.31371  15.2597     32.822      4.65794     32.822      
1 1 1 18 16 35 o 14.7025 4.87931 0.954547     3.02109  -2.21611     2.54592  10.3871     164.283     0.728835    344.283     
1 1 1 18 16 36 o 17.1523 5.36087 1.13976      2.84416  1.92273      2.74633  13.3761     230.983     0.30827     50.9831     
1 1 1 18 16 37 o 20.4915 5.71549 3.53766      2.8179   3.64943      2.51796  11.8725     316.487     12.714      136.487     
1 1 1 18 16 38 o 13.841  4.5298  -1.44297     2.34376  0.838645     2.30788  7.30179     58.2758     1.43179     58.2758     
1 1 1 18 16 39 o 19.9872 5.59053 2.85921      2.64715  4.11449      2.52336  16.2027     300.576     0.169967    120.576     
1 1 1 18 16 40 o 18.1911 5.42203 2.9336       2.57121  2.24041      2.63552  11.6542     190.697     2.21814     190.697     
1 1 1 18 16 41 o 15.2375 4.88823 1.4215       2.44545  0.149963     2.57271  5.50963     39.537      0.649321    219.537     
1 1 1 18 16 42 o 16.8189 5.23783 1.26531      2.47878  3.23596      2.80242  4.07194     54.0181     1.85525     54.0181     
1 1 1 18 16 43 o 19.4771 5.04258 -1.86194     2.56206  7.11847      2.61067  17.2714     274.909     11.0398     274.909     
1 1 1 18 16 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 17 0  o 66.0508 3.17029 24.5116      3.18988  24.5116      3.18988  67.9809     180         2.763       180         
1 1 1 18 17 1  f 59.2237 3.42601 21.4117      3.12626  18.7132      3.06012  40.6529     167.933     0           0           
1 1 1 18 17 2  o 54.6009 3.77989 17.5137      3.01912  16.9454      3.24423  44.9921     10.2825     18.2579     190.283     
1 1 1 18 17 3  o 38.9189 4.82805 7.81642      2.75637  10.5895      2.79124  25.3966     115.077     25.1839     295.077     
1 1 1 18 17 4  o 28.3278 5.34247 1.61268      2.57869  8.3086       2.77414  30.1614     81.497      9.96617     81.497      
1 1 1 18 17 5  o 20.6139 5.76723 0.894967     2.52467  2.81116      2.94748  6.21196     109.719     24.6897     289.719     
1 1 1 18 17 6  o 43.6673 4.51147 10.5908      2.79773  12.1915      3.09303  37.6083     217.606     10.396      37.6062     
1 1 1 18 17 7  o 16.2679 5.0291  -0.364866    2.4116   0.240985     2.37853  9.1615      182.875     4.6236      2.87524     
1 1 1 18 17 8  o 27.3162 5.62615 5.12148      2.52814  4.32035      2.5038   11.3986     312.057     29.3235     132.057     
1 1 1 18 17 9  o 64.4375 3.18236 22.8864      3.13191  24.4321      3.14128  70.6379     136.502     13.1417     136.502     
1 1 1 18 17 10 o 29.255  5.42294 7.1051       2.56953  3.80593      2.51895  23.4402     137.352     8.50632     317.352     
1 1 1 18 17 11 o 23.0251 5.72284 4.27677      2.62882  1.90405      2.54198  15.7723     78.8036     10.0859     258.804     
1 1 1 18 17 12 o 22.4003 5.71861 3.44587      2.56409  2.39292      2.52008  12.7479     187.094     15.0393     7.09399     
1 1 1 18 17 13 o 58.4197 3.36063 19.352       3.02233  20.0362      2.9696   61.5403     107.641     7.71097     107.641     
1 1 1 18 17 14 o 45.2805 4.94607 13.0643      3.83583  12.3061      2.74077  29.5485     122.605     29.7018     302.605     
1 1 1 18 17 15 o 45.1616 4.65827 10.2536      3.1223   14.9155      3.03428  41.8047     174.575     4.25794     354.575     
1 1 1 18 17 16 o 20.3697 5.59386 1.94825      2.46622  2.37723      2.56171  9.70399     348.684     15.7362     168.684     
1 1 1 18 17 17 o 41.515  4.49448 8.75034      2.77767  12.5342      2.68367  24.9944     207.523     30.8327     27.5226     
1 1 1 18 17 18 o 14.4828 4.63324 -1.03982     2.23373  -0.304658    2.20701  1.42785     331.391     19.024      151.391     
1 1 1 18 17 19 o 16.073  4.88808 0.899124     2.19484  -0.195316    2.20708  7.41561     126.081     4.16301     306.081     
1 1 1 18 17 20 o 20.5284 5.233   0.682406     2.2804   3.85234      2.26094  9.67076     32.2901     4.90725     32.2901     
1 1 1 18 17 21 o 21.0147 5.4875  2.53383      2.33196  2.7949       2.36318  16.1041     23.0192     1.07555     203.019     
1 1 1 18 17 22 o 17.4549 5.02749 3.02531      2.40969  -2.13766     2.40943  9.36227     28.5725     8.13762     208.573     
1 1 1 18 17 23 o 24.9419 5.88446 3.91498      2.61587  4.81707      2.69934  23.2051     339.131     3.65806     339.131     
1 1 1 18 17 24 o 30.3951 5.42582 9.18366      2.72124  3.85829      2.67406  22.3992     41.9691     12.1973     221.969     
1 1 1 18 17 25 o 32.6638 5.10982 6.49095      2.51584  8.03148      2.4972   26.9529     212.875     7.89301     32.8751     
1 1 1 18 17 26 o 20.6315 5.41688 3.63355      2.31882  1.92169      2.37127  19.2412     41.554      4.87674     41.554      
1 1 1 18 17 27 o 16.1485 4.78916 -2.14053     2.2656   2.63609      2.24175  5.01149     314.985     18.331      134.985     
1 1 1 18 17 28 o 22.0415 5.57763 3.37892      2.38989  3.64173      2.4085   17.3303     262.937     12.3304     262.937     
1 1 1 18 17 29 o 33.0467 5.12016 5.59303      2.56757  10.0302      2.5753   41.4635     114.471     23.1111     114.471     
1 1 1 18 17 30 o 21.7975 5.26166 5.53033      2.39713  1.04902      2.3466   19.8875     26.0857     3.13966     26.0856     
1 1 1 18 17 31 o 15.3939 4.82683 0.877929     2.29877  0.152387     2.26187  10.6343     151.185     0.742676    151.185     
1 1 1 18 17 32 o 15.9585 4.96294 0.69183      2.38872  1.07379      2.33478  12.9998     168.2       2.48778     168.2       
1 1 1 18 17 33 o 21.3619 5.58873 3.85204      2.44339  3.505        2.43238  22.1075     134.391     8.4034      134.391     
1 1 1 18 17 34 o 14.2622 4.78303 -2.05799     3.57584  -0.264623    2.20482  9.33168     117.729     0.33961     117.729     
1 1 1 18 17 35 o 31.8622 5.88677 8.8601       2.77332  8.22792      3.1009   28.559      23.5897     2.02938     203.59      
1 1 1 18 17 36 o 15.0779 4.81222 0.516903     2.38851  0.758272     2.35691  6.16189     70.6546     12.6891     250.655     
1 1 1 18 17 37 o 13.3445 4.42437 -0.801122    2.33948  -0.27597     2.25373  6.91722     136.876     0.022449    136.876     
1 1 1 18 17 38 o 17.5145 5.29796 -2.00522     3.66332  3.76798      2.48036  10.4216     110.272     3.55887     110.272     
1 1 1 18 17 39 o 15.7397 5.14537 1.53997      2.9697   -0.216484    2.92727  5.94144     222.509     1.68014     42.5092     
1 1 1 18 17 40 o 14.3898 4.72673 1.69892      2.53803  -2.51774     2.7906   1.9164      35.0804     0.0937281   215.08      
1 1 1 18 17 41 o 13.7454 4.56965 -0.717321    2.45085  0.803148     2.51471  4.91343     279.019     0.248183    279.019     
1 1 1 18 17 42 o 14.0798 4.63261 -0.289063    2.47737  1.08132      2.42923  8.11518     259.626     2.75832     259.626     
1 1 1 18 17 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 18 0  o 9.40074 4.62355 -1.89225     2.37674  -1.89225     2.37674  0.381968    360         7.09329     360         
1 1 1 18 18 1  o 19.0355 5.461   0.687728     2.5175   1.99853      2.52493  12.9312     311.06      5.74132     311.06      
1 1 1 18 18 2  o 22.2888 5.74452 2.56612      2.53785  3.13042      2.58649  12.3836     170.245     15.5359     350.245     
1 1 1 18 18 3  o 89.2401 2.74221 48.3198      3.76701  41.6111      3.7368   108.034     39.4603     38.856      39.4603     
1 1 1 18 18 4  o 18.8821 5.46927 0.800152     2.49073  1.76012      2.59533  9.00788     121.81      14.557      301.81      
1 1 1 18 18 5  o 19.3985 5.57816 -0.110064    2.70142  2.61601      2.70759  14.8579     348.958     4.81549     348.958     
1 1 1 18 18 6  o 22.727  5.75718 2.82437      2.55059  3.31028      2.56774  12.3903     322.131     16.2785     142.131     
1 1 1 18 18 7  o 30.4389 5.53245 7.22559      2.67478  4.78747      2.60374  34.222      70.683      13.7277     70.683      
1 1 1 18 18 8  o 34.5197 5.14991 9.52803      2.68853  5.68631      2.64076  32.2678     260.043     0.788751    80.0431     
1 1 1 18 18 9  o 35.671  5.04825 4.98537      2.69542  11.4421      2.67418  31.3402     94.3244     5.21945     274.324     
1 1 1 18 18 10 o 17.0675 5.17553 1.55494      2.36964  -1.49154     2.77246  9.53629     330.311     4.32199     150.311     
1 1 1 18 18 11 o 64.5652 3.56154 24.2118      3.34791  24.4318      3.66959  77.9074     186.829     29.4122     186.829     
1 1 1 18 18 12 o 33.3923 5.15103 11.5047      2.79696  3.34416      2.67831  24.3961     259.204     14.3957     79.2041     
1 1 1 18 18 13 o 14.6179 4.66762 -1.47572     2.25803  0.0463859    2.25858  4.86529     229.158     7.19624     49.1584     
1 1 1 18 18 14 o 22.1479 5.93104 0.916417     3.2437   4.05288      2.6899   4.9691      177.716     30.038      357.716     
1 1 1 18 18 15 o 29.5446 5.70453 3.63081      2.82251  8.04658      2.80958  24.8131     59.3245     4.3023      239.325     
1 1 1 18 18 16 o 49.0818 4.03418 15.4464      2.83667  13.512       3.09658  46.3756     15.5042     2.25609     195.504     
1 1 1 18 18 17 o 20.0407 5.37557 1.27781      2.30372  3.06141      2.35655  14.179      298.566     3.65897     298.566     
1 1 1 18 18 18 o 17.1682 5.08737 1.97567      2.27931  -0.746284    2.47532  9.2381      337.117     5.42701     157.117     
1 1 1 18 18 19 o 13.8541 4.46043 -1.89044     2.16549  0.115214     2.10658  4.02713     135.85      8.36414     315.85      
1 1 1 18 18 20 o 23.5733 5.99    3.34782      3.05793  4.13306      2.56184  22.3257     56.4398     10.4861     56.4398     
1 1 1 18 18 21 o 26.4757 5.88711 7.05422      2.99117  3.0983       2.56381  26.3989     191.959     7.07827     191.959     
1 1 1 18 18 22 o 23.8929 5.41311 6.36851      2.58024  1.20618      2.5066   21.3987     158.745     1.25781     158.745     
1 1 1 18 18 23 o 22.4015 5.37579 1.76893      2.41182  4.92682      2.32538  22.3047     7.9754      8.05344     7.97539     
1 1 1 18 18 24 o 26.6018 5.68795 4.93023      2.56242  5.50568      2.5041   25.2889     238.661     2.40895     238.661     
1 1 1 18 18 25 o 15.9889 4.91538 0.665686     2.25812  0.71448      2.25412  10.6692     221.65      3.885       221.65      
1 1 1 18 18 26 o 16.36   4.95265 1.49198      2.25411  0.368996     2.22307  11.5575     125.767     2.85342     125.767     
1 1 1 18 18 27 o 18.4835 5.18904 2.93034      2.27149  1.09922      2.23547  15.1441     325.727     3.56089     325.727     
1 1 1 18 18 28 o 23.6179 5.16548 6.56091      2.38469  1.40418      2.35762  24.051      131.892     8.40463     131.892     
1 1 1 18 18 29 o 25.5528 5.60043 5.81386      2.47826  4.37844      2.4258   26.9572     4.52165     9.24649     4.52165     
1 1 1 18 18 30 o 15.7451 4.8804  1.6145       2.31499  -0.089253    2.27641  10.7704     11.8432     3.85674     191.843     
1 1 1 18 18 31 o 16.7161 5.09977 1.66698      2.46408  1.12354      2.31817  9.02785     350.906     5.53619     350.906     
1 1 1 18 18 32 o 31.2114 5.62112 8.94138      2.75198  6.70588      2.71519  23.0134     343.991     12.3268     163.991     
1 1 1 18 18 33 o 26.0067 5.75365 4.60007      2.87981  6.98721      2.51205  30.9615     223.349     21.3235     223.349     
1 1 1 18 18 34 o 17.4387 5.39091 1.34974      2.75674  2.3945       2.75834  13.892      230.872     1.22718     230.872     
1 1 1 18 18 35 o 25.0531 6.13475 5.19034      2.66637  6.92417      3.10441  28.1654     187.348     15.54       187.348     
1 1 1 18 18 36 o 20.9531 5.64676 3.17334      2.57969  4.71351      2.5517   18.0887     70.0557     2.49388     70.0557     
1 1 1 18 18 37 o 24.0084 5.78297 6.29892      2.6253   4.28782      2.59489  21.627      259.083     4.43716     259.083     
1 1 1 18 18 38 o 15.3076 4.86895 1.89092      2.49542  -0.103449    2.36167  6.00899     244.156     1.56194     64.1564     
1 1 1 18 18 39 o 13.2376 4.44717 -1.35632     2.45957  0.160279     2.48124  3.89984     197.078     1.48669     17.0778     
1 1 1 18 18 40 o 14.7969 4.80901 0.763213     2.44127  1.25368      2.57338  6.27413     61.1097     2.18375     61.1097     
1 1 1 18 18 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 19 0  o 18.2298 6.83177 3.00452      2.57663  3.00452      2.57663  14.1112     360         0.882408    180         
1 1 1 18 19 1  o 58.5624 3.46091 20.9482      3.10148  18.9969      3.07788  73.7468     184.485     34.145      184.485     
1 1 1 18 19 2  o 25.5894 5.81611 5.9239       2.8053   2.56072      2.6082   22.9517     220.126     2.08063     220.126     
1 1 1 18 19 3  o 48.0961 4.03926 15.0007      2.92294  12.6881      2.92046  51.5339     126.33      10.5314     126.33      
1 1 1 18 19 4  o 59.7437 3.49373 21.1269      3.25511  20.5113      3.11567  66.4932     124.982     16.7769     124.982     
1 1 1 18 19 5  o 37.9145 4.87753 9.55921      2.74949  8.47005      2.73255  34.9008     62.3234     1.94216     242.323     
1 1 1 18 19 6  o 23.2163 5.75321 3.56448      2.56031  3.21449      2.52319  17.0938     175.674     5.36798     355.675     
1 1 1 18 19 7  o 28.6067 5.6797  4.33587      2.66103  6.53937      2.63551  29.8152     328.54      10.2762     328.54      
1 1 1 18 19 8  o 43.1382 4.42321 9.68165      2.84346  13.1754      2.77901  44.1771     267.29      6.13516     267.29      
1 1 1 18 19 9  o 52.9676 3.76976 15.4376      3.00065  17.821       3.05383  54.1649     55.0404     5.89534     55.0404     
1 1 1 18 19 10 o 24.9851 5.76032 5.13842      2.57729  2.96283      2.64833  13.7703     329.815     17.3647     149.815     
1 1 1 18 19 11 o 19.6654 5.52869 2.59166      2.57833  1.07345      2.48723  10.6558     299.833     10.5769     119.833     
1 1 1 18 19 12 o 20.4315 5.39959 0.298535     2.5375   3.76816      2.40291  15.2474     336.618     1.52248     336.618     
1 1 1 18 19 13 o 19.069  5.37874 3.34109      2.6851   -0.369732    2.33184  7.24873     303.741     17.3028     123.741     
1 1 1 18 19 14 o 21.7142 5.58118 0.0528425    2.74746  4.82388      2.65124  17.7092     77.6958     2.36334     77.6958     
1 1 1 18 19 15 o 38.139  5.06915 11.4328      2.71481  7.55151      2.95125  42.7322     168.512     14.692      168.512     
1 1 1 18 19 16 o 20.6079 5.46042 4.18432      2.4762   -0.111594    2.75215  14.6287     333.262     4.12416     153.262     
1 1 1 18 19 17 o 13.7689 4.55988 -1.55712     2.26234  -1.37802     2.5685   2.85317     194.384     1.50068     14.3836     
1 1 1 18 19 18 o 32.2435 6.65433 10.8791      4.07473  5.45219      3.05985  24.4064     143.252     10.8889     323.252     
1 1 1 18 19 19 o 19.8572 5.52662 3.64596      2.66969  0.792647     2.4578   11.4366     71.2831     11.018      251.283     
1 1 1 18 19 20 o 22.0086 5.82056 3.0016       2.68038  3.67881      2.64813  14.5483     192.251     9.59286     12.2513     
1 1 1 18 19 21 o 12.5113 4.16205 -0.298428    2.11223  -3.16103     2.10523  5.04056     170.34      3.48015     350.34      
1 1 1 18 19 22 o 15.6782 4.82777 1.5454       2.25659  -0.800645    2.24158  9.74409     37.1971     3.75509     37.1971     
1 1 1 18 19 23 o 17.4284 4.95978 3.43074      2.33989  -1.55316     2.28702  10.9424     210.325     7.15718     30.3254     
1 1 1 18 19 24 o 13.8177 4.47608 -2.01169     2.26843  0.436271     2.15645  6.80169     32.2863     1.72677     212.286     
1 1 1 18 19 25 o 21.1627 5.43179 1.48905      2.47482  4.6553       2.4061   11.2018     270.876     14.9205     90.876      
1 1 1 18 19 26 o 19.1475 5.26942 1.08525      2.35128  3.56214      2.31316  14.6595     275.339     1.79136     95.3387     
1 1 1 18 19 27 o 13.6444 4.44287 -3.04792     2.58099  0.64175      2.05676  7.58964     147.473     1.03825     327.473     
1 1 1 18 19 28 o 17.5245 5.23208 2.85483      2.64704  0.64693      2.23217  10.7064     10.0485     8.67163     190.049     
1 1 1 18 19 29 o 16.4058 4.75377 -2.28319     2.32638  3.37241      2.19501  12.1975     133.674     2.45431     313.674     
1 1 1 18 19 30 o 13.2982 4.38118 0.563483     2.30276  -2.17254     2.1384   7.62591     101.422     3.16684     281.422     
1 1 1 18 19 31 f 12.9866 4.31673 -0.435333    2.22316  -1.24375     2.19646  10.2825     44.8419     0           0           
1 1 1 18 19 32 o 16.6517 4.98566 3.34479      2.4178   -0.927938    2.37359  11.7068     346.315     2.89508     166.315     
1 1 1 18 19 33 o 16.1345 5.11909 1.07928      2.69427  1.30223      2.58856  11.7468     302.664     0.163303    302.664     
1 1 1 18 19 34 o 17.5156 5.34316 1.38675      2.48198  2.9566       2.77527  13.0675     267.366     0.798444    267.366     
1 1 1 18 19 35 o 14.4213 4.67921 0.627697     2.39573  -0.0739078   2.33156  5.36596     121.468     8.11738     301.468     
1 1 1 18 19 36 o 13.1791 4.33133 -3.35992     2.28418  1.32005      2.2313   2.76235     6.48548     5.37834     186.485     
1 1 1 18 19 37 o 15.193  4.89446 0.189063     2.48846  1.59615      2.5797   7.14983     1.15017     1.6084      181.15      
1 1 1 18 19 38 o 13.8735 4.57652 0.0346826    2.48823  0.542893     2.32942  4.17282     311.068     0.527514    311.068     
1 1 1 18 19 39 o 12.6647 4.30183 -1.93159     2.55533  -0.139261    2.38373  7.01235     4.27664     1.74531     184.277     
1 1 1 18 19 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 20 0  o 15.0916 6.30005 1.79923      2.50771  1.79923      2.50771  2.30422     180         0.553481    7.6935e-05  
1 1 1 18 20 1  o 17.7858 5.26989 1.989        2.49656  -0.380918    2.5027   5.90158     291.441     16.7399     111.441     
1 1 1 18 20 2  o 25.6797 5.78441 5.50348      2.65519  3.21894      2.61554  18.3322     337.206     8.5203      157.206     
1 1 1 18 20 3  o 29.0882 5.66651 4.34462      2.65685  7.00392      2.68937  21.5393     99.8857     9.66965     279.886     
1 1 1 18 20 4  o 16.9393 5.20278 -0.826663    2.68026  1.21572      2.4842   8.34983     315.439     3.8195      135.439     
1 1 1 18 20 5  o 30.8142 5.5881  5.1962       2.6852   7.50916      2.70335  25.4115     11.2388     5.24029     191.239     
1 1 1 18 20 6  o 34.6085 5.40203 7.4061       2.89407  8.32356      2.71267  32.0148     291.176     0.263055    291.176     
1 1 1 18 20 7  o 34.6361 5.25582 8.79747      2.71976  6.89904      2.72618  31.3861     92.4038     1.24225     272.404     
1 1 1 18 20 8  o 28.0884 5.66823 6.13807      2.60771  4.57747      2.57883  27.6219     288.715     6.77934     288.715     
1 1 1 18 20 9  o 22.8468 5.86852 3.17485      2.90952  3.51307      2.46079  14.8321     344.305     9.37212     164.305     
1 1 1 18 20 10 o 23.2903 5.87436 4.52245      2.62072  2.43642      2.86862  21.0921     51.1439     7.74977     51.1439     
1 1 1 18 20 11 o 36.4542 5.2317  8.61913      2.89916  8.93032      2.77212  32.3218     265.344     3.42342     85.3435     
1 1 1 18 20 12 o 21.05   5.22162 -0.277524    2.41195  4.94594      2.43331  16.3287     22.8536     1.16572     202.854     
1 1 1 18 20 13 o 26.475  6.3942  6.3994       3.7991   4.153        2.47091  15.7239     245         16.2951     64.9998     
1 1 1 18 20 14 o 23.4122 6.06395 3.47891      3.05779  4.13439      2.70391  17.825      275.737     4.45392     95.7365     
1 1 1 18 20 15 o 19.2085 5.54337 3.0288       2.53723  0.172293     2.94249  13.8932     169.558     2.14325     349.558     
1 1 1 18 20 16 o 26.3391 6.20786 5.97873      2.93662  4.47788      3.03316  26.7629     282.807     19.0207     282.807     
1 1 1 18 20 17 o 17.8398 5.46515 1.87334      2.9362   0.350438     2.6119   10.6212     124.05      7.92517     304.05      
1 1 1 18 20 18 o 17.1832 5.43599 0.950923     2.40578  -0.203101    3.6245   12.2165     73.6997     4.34225     73.6997     
1 1 1 18 20 19 o 18.1271 5.31122 2.22162      2.50458  1.14099      2.366    15.4692     25.8244     4.43143     25.8244     
1 1 1 18 20 20 f 20.5429 4.99476 5.18437      2.28663  -0.665716    2.36819  17.7437     345.45      0           0           
1 1 1 18 20 21 o 24.2478 5.60086 5.35505      2.50094  3.44216      2.3844   21.914      4.63618     1.60963     4.63617     
1 1 1 18 20 22 o 16.5493 5.16743 -0.120235    2.18143  1.8292       2.93322  10.8333     203.119     1.01231     23.1192     
1 1 1 18 20 23 o 15.4026 5.07573 -1.00019     2.18697  0.599262     3.48418  4.78727     24.0789     1.23344     24.0789     
1 1 1 18 20 24 o 26.4032 5.69885 7.81088      2.48638  2.01745      4.09087  15.9782     265.033     16.2563     85.033      
1 1 1 18 20 25 o 16.3437 5.23499 0.202506     2.18022  1.37239      3.39842  11.9783     77.8908     0.752142    257.891     
1 1 1 18 20 26 f 18.9245 5.51847 2.56653      2.28983  2.32444      2.98607  27.2489     278.711     0           0           
1 1 1 18 20 27 o 15.5721 4.93439 0.787646     2.17837  0.465744     2.73459  3.63877     73.9056     2.04271     73.9056     
1 1 1 18 20 28 o 13.2291 4.46097 -1.88801     2.03704  -0.26016     2.8374   5.55498     279.51      9.01957     99.5103     
1 1 1 18 20 29 o 18.2614 5.24918 1.62938      2.26353  3.17662      2.40568  13.7052     87.3371     2.33746     267.337     
1 1 1 18 20 30 f 14.8393 4.72161 0.0535949    2.26469  1.00823      2.27998  3.21682     69.2327     0           0           
1 1 1 18 20 31 o 16.6997 5.21851 2.92749      2.82704  0.095407     2.51402  11.5714     256.846     4.91952     256.846     
1 1 1 18 20 32 o 14.2905 4.6625  1.01735      2.54406  -0.795348    2.22893  7.62047     303.593     1.51199     123.593     
1 1 1 18 20 33 o 20.2599 6.17821 1.34798      2.89409  7.18133      4.09986  8.12389     133.984     4.43519     133.984     
1 1 1 18 20 34 o 15.0869 4.82976 0.389376     2.4998   1.07981      2.34383  3.64806     56.5621     1.21386     236.562     
1 1 1 18 20 35 o 16.3806 5.01556 -0.727497    2.83072  3.07192      2.31627  7.63157     185.208     8.67743     5.20812     
1 1 1 18 20 36 o 21.5299 5.88197 2.38825      3.07685  7.54426      3.03336  18.2266     189.596     2.10839     189.596     
1 1 1 18 20 37 o 13.7711 4.6682  -0.145061    2.7939   -0.597679    2.89737  8.03117     59.2609     1.15732     239.261     
1 1 1 18 20 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 21 0  o 13.2395 6.03352 0.628991     2.84408  0.628991     2.84408  0.226873    360         22.1352     180         
1 1 1 18 21 1  o 16.7885 5.15009 -0.588339    2.52057  1.42966      2.50647  8.07657     271.041     0.36236     271.041     
1 1 1 18 21 2  o 16.9246 5.1801  0.787591     2.50658  0.495186     2.4606   9.40861     202.703     2.42928     22.703      
1 1 1 18 21 3  o 27.3656 5.7943  4.67516      2.63948  5.85562      2.65298  21.9045     113.168     4.77078     293.169     
1 1 1 18 21 4  o 16.1852 5.04799 -0.000757354 2.47855  0.457736     2.44127  3.3702      76.4316     19.2275     256.432     
1 1 1 18 21 5  o 22.9763 5.79716 2.52756      2.74573  4.46414      2.57458  10.8515     108.488     18.8386     288.488     
1 1 1 18 21 6  o 22.9643 5.7287  4.20846      2.55417  2.94709      2.5336   11.9172     211.62      16.5605     31.6201     
1 1 1 18 21 7  o 18.4444 5.36355 1.44598      2.45137  1.76326      2.4497   9.22808     136.653     11.4589     316.653     
1 1 1 18 21 8  f 39.6026 4.69189 10.2955      2.75992  10.0167      2.75999  27.7982     90.7332     0           0           
1 1 1 18 21 9  o 12.7699 4.28633 -0.611754    2.27227  -4.37956     2.459    0.791196    252.786     16.8289     72.7857     
1 1 1 18 21 10 o 26.4697 5.79443 6.16753      2.671    3.9947       2.63526  23.2767     13.5617     0.0843252   193.562     
1 1 1 18 21 11 o 25.8507 5.98082 6.54547      2.98302  3.415        2.63157  20.9715     340.06      3.82802     160.06      
1 1 1 18 21 12 o 16.6504 5.18841 0.848744     2.5967   0.22957      2.59124  11.2062     239.772     0.0982205   239.772     
1 1 1 18 21 13 o 19.4536 5.88615 2.22549      3.63768  1.61124      2.63045  16.0539     353.147     6.82111     353.147     
1 1 1 18 21 14 o 20.2662 6.35089 1.78973      3.05365  2.15229      4.88351  7.41946     355.282     20.888      175.282     
1 1 1 18 21 15 o 18.3392 5.42579 3.07209      2.50992  -1.37248     3.24216  15.5197     240.567     4.0361      240.567     
1 1 1 18 21 16 o 24.2255 5.68897 6.71282      2.66619  1.07089      3.21602  17.3943     15.6587     8.48242     195.659     
1 1 1 18 21 17 o 15.6275 4.95979 0.145535     2.33142  0.246095     2.62384  9.40092     295.711     1.49602     295.711     
1 1 1 18 21 18 o 17.1649 5.30472 0.555527     2.65892  1.44983      2.67209  11.7565     144.341     2.81081     144.341     
1 1 1 18 21 19 o 19.6302 5.71843 0.710499     2.94822  3.76594      2.86522  14.8306     122.749     1.09675     302.749     
1 1 1 18 21 20 o 13.7325 4.58237 -4.34438     2.61868  0.411303     2.63134  6.16599     9.66072     3.82021     189.661     
1 1 1 18 21 21 o 27.3748 5.58958 8.9359       2.96265  3.0941       2.3501   15.523      347.897     13.1425     347.897     
1 1 1 18 21 22 o 17.307  5.02282 -1.38876     2.69463  3.23526      2.22934  14.5144     255.114     4.59531     255.114     
1 1 1 18 21 23 o 16.1551 4.97717 -0.0203914   2.73707  1.66143      2.09759  9.57445     285.123     7.78938     105.123     
1 1 1 18 21 24 o 20.5015 5.53318 5.78944      2.89577  0.651485     2.3065   20.3859     11.3901     8.00566     11.3901     
1 1 1 18 21 25 o 19.1602 5.3197  3.39578      2.3313   2.04462      2.30919  13.7682     29.6007     4.92785     209.601     
1 1 1 18 21 26 o 15.3748 4.74177 1.46779      2.14838  0.439605     2.10281  7.26017     147.399     3.24587     147.399     
1 1 1 18 21 27 o 17.442  4.97689 3.5062       2.24932  0.245174     2.13275  13.4737     43.804      6.44417     43.804      
1 1 1 18 21 28 o 24.907  5.35741 6.98792      2.41409  3.39688      2.33161  23.4732     345.576     3.6034      345.576     
1 1 1 18 21 29 o 18.4657 5.47495 3.5931       2.99276  1.96789      2.2286   15.6998     110.295     4.27838     110.295     
1 1 1 18 21 30 o 14.1013 4.65815 -0.874384    3.07198  0.254603     2.04361  1.34186     208.753     0.188015    208.753     
1 1 1 18 21 31 o 13.9009 4.5767  -3.9766      3.40572  0.966622     2.05082  2.71711     350.509     1.0295      170.509     
1 1 1 18 21 32 o 13.8836 4.72113 -1.20819     3.50637  -0.881779    2.38021  3.43362     165.338     6.33704     345.338     
1 1 1 18 21 33 o 13.8414 4.56244 -4.02282     2.78702  1.67483      2.42752  4.73272     261.494     4.49249     81.4943     
1 1 1 18 21 34 o 13.9023 4.69968 1.77833      2.74554  -7.33974     3.84776  5.9346      273.824     5.93543     93.8237     
1 1 1 18 21 35 o 13.0345 4.46438 0.481654     2.71038  -3.86657     3.01311  6.11317     289.035     5.43853     109.035     
1 1 1 18 21 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 22 0  o 21.8355 7.10118 4.46997      2.61635  4.46997      2.61635  22.3113     2.44903e-05 3.48745     2.44903e-05 
1 1 1 18 22 1  o 14.7468 4.76309 0.587629     2.51014  -1.98258     2.39547  6.24023     247.859     0.612678    247.859     
1 1 1 18 22 2  f 21.2811 5.55387 4.5576       2.56007  1.23223      2.5446   22.0421     270.55      0           0           
1 1 1 18 22 3  o 18.1362 5.2818  -0.0699621   2.48869  2.86129      2.48998  10.8017     94.4216     5.36466     94.4216     
1 1 1 18 22 4  o 24.2422 5.72616 5.64473      2.61504  2.8489       2.60541  19.4969     269.767     3.44758     89.7669     
1 1 1 18 22 5  o 23.5978 5.79566 3.74078      2.58107  4.40913      2.58162  24.6182     65.7648     14.2974     65.7648     
1 1 1 18 22 6  o 17.4745 5.23487 0.764991     2.47729  1.74391      2.42897  13.4045     294.652     2.48918     294.652     
1 1 1 18 22 7  o 15.7481 4.99901 -0.199144    2.69422  0.378742     2.36663  9.88938     56.5909     3.49094     236.591     
1 1 1 18 22 8  o 34.3734 5.13928 10.7493      2.69964  5.88961      2.62165  41.0076     181.133     19.6459     181.133     
1 1 1 18 22 9  o 14.8611 4.84868 -0.741695    2.80671  -0.53044     2.36035  5.00179     132.549     1.75499     132.549     
1 1 1 18 22 10 o 40.8731 5.18415 9.91867      3.25822  13.2093      2.93661  41.2702     50.649      6.29181     50.649      
1 1 1 18 22 11 o 15.244  5.0428  -0.532956    2.98445  -1.63907     2.92409  8.51565     359.17      1.2516      359.17      
1 1 1 18 22 12 o 21.8211 6.08692 0.527711     3.78089  5.10365      2.97649  15.6967     6.66541     5.73749     186.665     
1 1 1 18 22 13 o 20.9413 5.89922 4.86944      3.25131  1.30008      2.55654  17.829      336.728     9.4813      336.728     
1 1 1 18 22 14 o 19.5072 5.66996 2.25295      2.34328  2.55644      3.15396  14.4688     246.426     1.77745     66.4263     
1 1 1 18 22 15 o 14.7348 4.81371 -1.17542     2.61121  -0.00899366  2.53695  5.01121     236.469     0.267597    236.468     
1 1 1 18 22 16 o 17.743  5.25212 2.91294      2.6404   0.436329     2.24137  7.32131     19.6749     14.9312     199.675     
1 1 1 18 22 17 o 22.9715 5.73997 3.75476      2.8288   4.47164      2.33815  19.7294     280.997     0.470015    280.997     
1 1 1 18 22 18 o 16.0346 4.83044 2.17247      2.16217  -0.465107    2.22905  11.7016     249.741     2.37303     249.741     
1 1 1 18 22 19 o 26.4782 5.2983  7.19578      2.39554  3.6475       2.35505  25.8238     350.868     4.60918     350.868     
1 1 1 18 22 20 o 15.8228 4.78709 1.64948      2.09461  0.508326     2.09262  12.1794     10.8741     0.197499    10.874      
1 1 1 18 22 21 o 13.1796 4.28574 -0.783054    2.00372  0.029668     2.00247  7.83917     343.973     1.08292     163.973     
1 1 1 18 22 22 o 14.5888 4.5506  -0.0603716   2.05107  1.11442      1.989    5.1096      247.674     2.25932     247.674     
1 1 1 18 22 23 o 15.2491 4.6248  2.13677      2.05744  -0.472328    2.0015   9.4923      85.9902     4.10419     265.99      
1 1 1 18 22 24 o 15.3601 4.7179  0.420273     2.0754   1.57247      2.10708  6.76715     246.293     2.94667     246.293     
1 1 1 18 22 25 o 13.8007 4.38366 0.347165     2.00568  0.293828     1.87667  6.79572     233.397     6.56151     53.3967     
1 1 1 18 22 26 o 13.1883 4.22027 1.36208      2.00453  -1.62433     1.7872   5.52199     109.625     0.539931    109.625     
1 1 1 18 22 27 o 15.2672 4.55625 -0.657739    2.08026  2.41006      1.90758  9.23594     94.6793     1.92545     94.6793     
1 1 1 18 22 28 o 16.8623 4.89415 1.15807      2.16768  2.63663      2.01026  9.37817     4.46466     6.22883     184.465     
1 1 1 18 22 29 o 11.2903 3.81745 -0.111588    1.97158  -2.93244     1.7901   0.546065    291.142     6.44327     111.142     
1 1 1 18 22 30 o 17.4532 5.03889 1.7828       2.22203  2.77226      2.11323  5.11102     177.302     1.46804     177.302     
1 1 1 18 22 31 o 12.215  4.20321 -0.573176    2.31782  -4.98074     3.04586  2.10597     278.14      3.02356     98.1399     
1 1 1 18 22 32 o 16.0771 5.24084 1.85585      2.28043  1.23108      4.20058  8.82371     95.0009     2.04596     95.0009     
1 1 1 18 22 33 o 14.9735 4.94308 -0.260467    2.2557   2.56825      3.21313  9.77338     200.575     1.34818     200.575     
1 1 1 18 22 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 23 0  o 18.8718 6.82819 3.55657      2.51004  3.55657      2.51004  12.9155     360         7.82153     360         
1 1 1 18 23 1  o 23.4322 5.70238 5.24782      2.57172  2.91981      2.55521  20.4309     282.091     1.26851     282.091     
1 1 1 18 23 2  o 25.4248 5.75817 3.75584      2.64349  6.05257      2.59894  26.6751     249.832     11.4905     249.832     
1 1 1 18 23 3  o 28.3509 5.77503 5.62541      2.67753  6.5623       2.65706  25.1351     261.34      0.0159942   261.341     
1 1 1 18 23 4  f 14.8863 4.77295 0.421392     2.40736  -0.770326    2.34368  12.3353     132.472     0           0           
1 1 1 18 23 5  o 24.5215 5.79751 4.28174      2.59525  4.92879      2.56415  17.5492     82.1686     7.74017     262.169     
1 1 1 18 23 6  o 28.4013 5.61335 7.44682      2.62121  4.71927      2.60316  30.7833     196.472     13.0662     196.472     
1 1 1 18 23 7  o 29.9467 5.61406 6.61464      2.64702  6.80014      2.61512  30.5859     246.048     8.62696     246.048     
1 1 1 18 23 8  o 18.8403 5.60766 4.51848      3.2546   -1.04157     2.57099  13.0743     70.5574     2.70073     250.557     
1 1 1 18 23 9  o 29.0234 6.04023 2.9744       3.49627  10.4695      3.25354  27.3795     198.546     4.05892     198.546     
1 1 1 18 23 10 o 20.1611 5.87955 1.95561      2.77017  3.68237      3.1501   16.6331     89.8385     6.66941     89.8385     
1 1 1 18 23 11 o 30.5848 5.63422 10.5251      3.0022   4.22672      2.75426  28.2532     117.152     1.85073     117.152     
1 1 1 18 23 12 o 24.2742 6.09154 3.60575      3.28695  5.93731      2.74754  20.3516     324.788     0.908362    144.788     
1 1 1 18 23 13 o 25.8333 6.52283 7.22891      3.39922  4.71568      3.25799  23.7004     338.606     2.98806     338.606     
1 1 1 18 23 14 f 23.8979 5.3395  -0.0695107   2.69302  8.20593      2.8269   16.5453     198.135     0           0           
1 1 1 18 23 15 o 15.1866 4.75297 0.954973     2.19174  0.20396      2.21681  10.737      151.022     1.09464     331.022     
1 1 1 18 23 16 o 12.4667 4.10933 0.488989     2.01402  -3.10204     2.02536  6.49118     69.4615     4.21409     249.461     
1 1 1 18 23 17 o 19.3276 4.70865 -1.72556     2.16676  5.47453      2.24288  18.2225     119.192     5.39294     119.192     
1 1 1 18 23 18 o 12.046  3.99935 -1.57968     1.90842  -0.4084      1.88517  4.70855     66.7661     0.449604    246.766     
1 1 1 18 23 19 o 14.6029 4.44275 2.23202      1.99273  -1.70768     1.96583  7.11355     157.956     2.62324     157.956     
1 1 1 18 23 20 o 17.5517 5.01657 2.24151      2.08713  2.00228      2.1122   9.01502     120.108     11.1636     300.108     
1 1 1 18 23 21 o 17.3441 4.83192 3.16213      2.03057  0.809929     1.92191  8.62633     153.486     11.6276     333.486     
1 1 1 18 23 22 o 11.8144 3.88489 -1.31317     1.83307  -0.0789746   1.64029  2.47913     121.208     0.389582    301.208     
1 1 1 18 23 23 o 14.3782 4.35781 1.97907      1.8926   -0.39017     1.66651  7.17192     34.94       2.04968     34.94       
1 1 1 18 23 24 o 13.2991 4.19251 0.845191     1.85797  -0.111805    1.61933  6.34656     84.9725     2.37301     264.973     
1 1 1 18 23 25 o 17.7377 4.78023 1.08482      1.99573  3.35602      1.86296  11.4823     291.467     3.47912     111.467     
1 1 1 18 23 26 o 10.3445 3.50565 -0.946005    1.70544  -1.67438     1.46028  0.0828104   294.802     5.05516     294.801     
1 1 1 18 23 27 o 11.6985 4.07695 -2.75213     1.68753  -0.805418    2.90628  0.353269    176.709     8.5607      356.709     
1 1 1 18 23 28 o 16.4942 5.21902 1.05495      2.01964  2.75316      3.36758  8.44925     277.727     3.77097     97.7268     
1 1 1 18 23 29 o 11.5266 3.97951 -0.730785    1.85069  -5.56347     3.24466  1.2346      7.02372     1.73857     187.024     
1 1 1 18 23 30 o 12.96   4.4992  -0.512332    3.12448  -3.57756     3.04545  5.23786     75.2727     1.86959     255.273     
1 1 1 18 23 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 23 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 24 0  o 36.8396 5.55155 9.33417      2.76756  9.33417      2.76756  55.5117     180         41.5248     180         
1 1 1 18 24 1  o 15.3917 4.67556 -3.64839     2.30781  2.81936      2.32374  9.93912     260.994     1.12838     80.9944     
1 1 1 18 24 2  o 19.1961 5.38643 1.3107       2.43777  3.54173      2.45049  16.6734     357.052     5.66476     357.052     
1 1 1 18 24 3  o 26.462  6.01929 6.90574      2.9851   4.73068      2.61626  25.9742     103.473     6.65253     103.473     
1 1 1 18 24 4  o 17.118  5.20627 2.19427      2.56147  0.517875     2.44168  8.13746     252.645     11.9237     72.645      
1 1 1 18 24 5  o 16.2508 5.04152 -1.28117     2.57117  2.33757      2.53103  10.014      261.665     5.22319     81.6654     
1 1 1 18 24 6  o 12.0157 4.12653 -3.41437     2.43443  -1.92974     2.39095  4.72252     97.2191     6.01393     277.219     
1 1 1 18 24 7  o 20.6026 5.795   2.03933      3.20911  4.12909      2.59376  17.3025     317         0.718802    317         
1 1 1 18 24 8  o 16.3124 5.27926 -0.362607    3.02608  1.03532      2.9696   12.5566     49.2224     2.24342     49.2224     
1 1 1 18 24 9  o 13.6605 4.4492  1.2486       2.20762  -5.54913     2.78487  8.83281     227.836     0.121705    47.8364     
1 1 1 18 24 10 f 13.2401 4.42731 -0.844963    2.32273  -1.55848     2.46008  14.3225     335.138     0           0           
1 1 1 18 24 11 o 13.8447 4.57806 -1.19889     2.4677   -0.265733    2.40431  8.01682     20.3023     1.60446     20.3023     
1 1 1 18 24 12 o 15.0201 4.88284 0.059038     2.90352  0.0941719    2.26999  9.25068     32.9326     3.96497     212.933     
1 1 1 18 24 13 o 16.747  5.18087 1.74901      2.49704  0.928808     2.60993  11.9446     279.145     1.71546     99.1445     
1 1 1 18 24 14 o 27.2855 5.47622 7.40339      2.38808  4.65362      2.66658  28.7395     66.9373     10.5497     66.9374     
1 1 1 18 24 15 o 16.7907 4.93022 2.00365      2.11896  1.49305      2.08048  12.0765     238.914     5.03565     238.914     
1 1 1 18 24 16 o 14.5976 4.51965 1.38247      1.96615  -0.0721411   1.9678   5.22324     168.058     12.6177     348.058     
1 1 1 18 24 17 o 13.8834 4.35434 1.00199      1.90801  -0.174188    1.82514  5.44284     77.0473     10.1762     257.047     
1 1 1 18 24 18 o 13.3843 4.1911  -0.61458     1.82812  1.05092      1.69762  4.61697     143.053     10.9276     323.053     
1 1 1 18 24 19 o 24.088  4.92905 5.92536      2.05447  3.2832       1.95113  15.3899     210.379     11.4804     30.3795     
1 1 1 18 24 20 o 19.6766 6.20746 1.41608      1.87372  8.57139      5.45414  15.7675     73.5319     1.54709     73.5319     
1 1 1 18 24 21 o 26.7601 5.7445  4.76223      2.02276  8.19834      3.13599  24.9578     178.216     4.72542     178.216     
1 1 1 18 24 22 o 16.6949 5.01729 2.25582      1.99212  1.09241      2.70557  8.91918     278.672     1.09684     278.672     
1 1 1 18 24 23 o 12.2296 4.02153 -0.286826    2.28501  -0.251009    1.31027  1.48364     52.2197     4.82375     232.22      
1 1 1 18 24 24 o 16.7906 5.34403 3.64212      3.04423  -1.54181     3.13747  7.70895     161.281     2.88178     341.281     
1 1 1 18 24 25 o 16.3303 5.24476 4.1133       3.1463   -3.4132      3.12703  6.1187      188.366     0.418602    188.366     
1 1 1 18 24 26 o 16.7111 5.3863  4.32835      3.27361  -1.25712     3.12282  6.87947     315.722     1.9423      315.722     
1 1 1 18 24 27 o 17.8428 5.66648 0.338198     3.10629  5.7322       3.53503  12.1472     223.711     1.62237     43.711      
1 1 1 18 24 28 o 13.8706 4.77242 0.765514     3.22619  -3.47255     3.40135  7.85073     155.01      1.39751     335.01      
1 1 1 18 24 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 25 0  o 9.59191 4.67413 -0.939712    2.2913   -0.939712    2.2913   1.84731     180         3.43624     360         
1 1 1 18 25 1  f 14.7943 4.67726 2.38516      2.42876  -3.53826     2.4048   9.41652     333.173     0           0           
1 1 1 18 25 2  o 18.6268 5.45911 3.22883      2.6124   1.58986      2.57981  16.1688     217.93      6.05509     217.93      
1 1 1 18 25 3  o 20.7946 5.54876 1.27177      2.63126  5.31741      2.63214  17.6641     351.849     1.42255     351.849     
1 1 1 18 25 4  o 14.0767 4.62462 -0.93725     2.42356  0.0882739    2.41952  8.3105      297.306     1.20242     117.306     
1 1 1 18 25 5  o 20.5087 5.99642 4.89447      3.56324  2.46171      2.56969  15.2232     287.478     3.18652     107.478     
1 1 1 18 25 6  f 15.6709 4.99624 1.1139       2.78809  0.355489     2.28575  15.9436     27.2295     0           0           
1 1 1 18 25 7  o 22.442  6.11428 3.66362      3.01771  5.52931      3.03416  15.029      190.844     8.06762     10.844      
1 1 1 18 25 8  o 18.6417 5.35911 2.98982      2.36786  2.1299       2.49241  12.7705     61.1117     4.41013     241.112     
1 1 1 18 25 9  o 28.086  5.85889 7.88633      2.70021  5.701        2.8503   27.3453     157.195     6.36679     157.195     
1 1 1 18 25 10 o 15.9683 4.97417 1.91829      2.52644  0.33216      2.24124  10.9836     359.179     1.24343     359.179     
1 1 1 18 25 11 o 15.9396 4.88255 2.3467       2.33297  -0.0766502   2.19438  6.56634     86.7436     12.4045     266.744     
1 1 1 18 25 12 o 22.2434 5.26172 1.35526      2.58715  6.31428      2.37077  22.2658     273.28      9.94357     273.28      
1 1 1 18 25 13 o 16.041  4.77447 2.72144      2.08533  -0.461757    2.24663  10.6248     323.946     3.59842     323.946     
1 1 1 18 25 14 o 22.5268 5.74295 3.68225      2.18688  5.63814      2.90535  20.6526     53.4425     4.93701     53.4425     
1 1 1 18 25 15 o 13.9169 4.32668 1.38125      1.83045  -0.42795     1.85053  6.05355     44.6339     1.24744     44.6338     
1 1 1 18 25 16 o 13.4768 4.12517 1.57348      1.68846  -0.696833    1.60116  6.26943     126.753     1.62421     306.753     
1 1 1 18 25 17 o 13.2924 4.36473 0.562858     1.69219  -2.53808     3.03671  4.04098     20.7727     1.67014     200.773     
1 1 1 18 25 18 o 22.2399 4.26882 0.695393     2.26343  5.94588      1.65782  18.5097     220.322     11.5647     220.322     
1 1 1 18 25 19 o 16.0782 5.2162  2.21555      2.95192  -0.78474     3.06136  4.20267     145.403     0.0820523   325.403     
1 1 1 18 25 20 o 25.244  6.23704 3.16352      3.35396  9.82162      3.39566  21.8448     272.519     5.94758     272.519     
1 1 1 18 25 21 o 14.2996 4.83649 -0.0824417   2.99611  -1.50164     3.05331  4.24614     197.934     4.95117     17.9336     
1 1 1 18 25 22 o 14.9509 4.97677 1.90336      3.01059  -2.08418     3.04066  4.34702     191.596     0.489056    11.5959     
1 1 1 18 25 23 o 19.8385 5.94266 6.2525       3.27421  2.35541      3.28729  15.2512     246.204     4.63083     246.204     
1 1 1 18 25 24 o 14.2258 4.81763 0.304953     2.93387  -0.597064    3.11015  3.74506     125.317     0.719251    125.317     
1 1 1 18 25 25 o 16.5277 5.53544 2.43293      4.17089  1.59322      3.34591  11.481      272.906     3.98674     272.906     
1 1 1 18 25 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 26 0  o 27.7282 7.48224 7.2574       3.00985  7.2574       3.00985  23.8417     2.604e-06   3.53473     180         
1 1 1 18 26 1  o 18.5234 5.48989 3.93031      2.74165  1.13097      2.69554  15.0501     80.0273     5.22802     80.0273     
1 1 1 18 26 2  o 20.4755 5.72638 5.08114      2.76881  2.11081      2.81882  13.3816     322.531     6.89992     142.531     
1 1 1 18 26 3  o 17.9057 5.31443 3.31767      2.52278  1.18549      2.55079  11.1237     293.408     6.00438     113.408     
1 1 1 18 26 4  o 19.2394 5.20953 0.243077     2.41748  5.03713      2.44428  15.8425     262.861     8.59        262.861     
1 1 1 18 26 5  o 24.2274 5.92807 7.45896      3.00924  3.61615      2.51945  20.4739     109.657     0.501614    109.657     
1 1 1 18 26 6  f 14.2124 4.6183  1.35359      2.21515  -2.75275     2.83     9.08965     276.317     0           0           
1 1 1 18 26 7  o 15.2068 4.85742 -0.0695891   2.28856  1.53339      2.55999  7.40527     198         8.0213      17.9998     
1 1 1 18 26 8  o 22.4001 5.79202 4.27015      2.60228  4.94083      2.61767  18.5754     275.837     0.61759     275.837     
1 1 1 18 26 9  o 26.5709 5.17901 3.03005      2.42272  8.78277      2.49753  22.8132     166.344     0.287721    166.343     
1 1 1 18 26 10 o 16.3122 4.99717 1.44668      2.49774  1.67976      2.15454  7.42588     240.044     9.84139     60.0443     
1 1 1 18 26 11 o 16.3497 4.97257 2.14177      2.10847  0.897017     2.53676  8.65562     35.8136     5.59334     215.814     
1 1 1 18 26 12 o 13.6553 4.3848  0.556193     2.14313  -0.0278649   1.85383  3.8972      219.284     2.22487     39.2843     
1 1 1 18 26 13 o 25.5129 5.2496  4.9329       2.11182  5.7976       2.26498  18.9764     24.6659     4.31798     204.666     
1 1 1 18 26 14 o 17.2386 4.86798 3.52593      2.27137  0.936908     1.67043  7.75376     192.143     8.52948     12.1434     
1 1 1 18 26 15 o 15.3914 4.92312 0.875973     1.95097  1.0453       3.083    2.90323     47.5483     1.06401     227.548     
1 1 1 18 26 16 o 21.6916 6.2594  5.10827      3.28679  4.98776      3.32088  15.862      182.526     2.19569     182.526     
1 1 1 18 26 17 o 20.2194 6.02722 4.89841      3.2103   3.45141      3.25281  12.7976     354.528     4.0601      174.528     
1 1 1 18 26 18 o 15.1504 5.03543 1.68064      3.0279   -0.989804    3.04719  6.46825     148.828     5.20189     328.828     
1 1 1 18 26 19 o 14.348  4.85072 -0.154089    2.99344  -0.0948642   3.05515  5.08077     19.9272     0.602531    199.927     
1 1 1 18 26 20 o 14.9578 5.00864 1.81309      3.07692  -0.917975    3.1466   5.88541     201.085     10.0786     21.0846     
1 1 1 18 26 21 o 16.5503 5.3949  2.04372      3.23439  2.27891      3.15021  11.603      141.661     0.915917    141.661     
1 1 1 18 26 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 26 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 27 0  o 10.4954 4.98191 0.0147256    2.26947  0.0147256    2.26947  3.29089     8.65135e-06 20.1828     8.65135e-06 
1 1 1 18 27 1  o 24.6602 5.73565 5.63899      2.50915  5.32041      2.53662  21.6736     69.0705     6.30348     69.0705     
1 1 1 18 27 2  o 12.3809 4.20765 -1.45462     2.41258  -1.54603     2.26889  1.55689     250.273     5.62908     70.2733     
1 1 1 18 27 3  o 17.0376 5.05269 -1.37798     2.64337  3.89082      2.44206  7.55948     355.908     7.99147     175.908     
1 1 1 18 27 4  f 25.26   6.27184 6.63149      3.41996  6.20936      2.70958  10.7937     240.997     0           0           
1 1 1 18 27 5  o 14.4178 4.77625 -3.01831     2.26319  2.40644      2.99958  2.43299     205.508     1.8064      25.5076     
1 1 1 18 27 6  f 17.513  5.2349  3.01578      2.44444  1.37503      2.49577  9.21766     103.428     0           0           
1 1 1 18 27 7  o 17.7323 5.16187 0.236138     2.49548  3.93646      2.41212  7.39971     217.378     0.480766    217.378     
1 1 1 18 27 8  f 13.4132 4.37022 -1.28626     2.15345  0.864418     2.1155   7.46013     67.1576     0           0           
1 1 1 18 27 9  o 20.3736 5.40418 2.59917      2.47071  4.60357      2.30161  9.37391     228.847     4.52181     228.847     
1 1 1 18 27 10 o 27.2653 5.97788 8.4114       2.51735  6.12729      4.0627   21.7387     136.277     1.02036     316.277     
1 1 1 18 27 11 o 18.7759 5.4982  4.26974      2.4221   0.76314      3.60747  9.59068     129.856     3.45224     129.856     
1 1 1 18 27 12 o 15.5254 4.93984 1.58052      1.94217  0.535027     3.33045  7.03418     127.727     1.87765     307.727     
1 1 1 18 27 13 o 19.1683 5.97034 3.43379      2.16545  5.86322      7.10443  11.0367     220.233     6.70345     40.233      
1 1 1 18 27 14 o 16.3511 5.40351 2.84361      3.15854  0.0346144    3.8832   5.617       5.2899      1.81237     5.28989     
1 1 1 18 27 15 o 18.1066 5.57415 6.20678      3.20642  -1.38095     3.42556  13.2201     315.279     2.81117     315.279     
1 1 1 18 27 16 o 14.0669 4.79993 1.01912      3.12585  -2.4198      3.19573  6.56635     138.225     6.14723     318.225     
1 1 1 18 27 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 27 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 27 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 28 0  f 17.2322 6.62931 3.65282      2.485    3.65282      2.485    14.3899     360         0           0           
1 1 1 18 28 1  o 16.7483 5.00931 3.90626      2.40465  0.0977601    2.35428  10.1292     211.149     0.408529    211.149     
1 1 1 18 28 2  o 12.7703 4.25793 -1.042       2.20096  0.231449     2.17694  2.85052     352.144     1.56117     172.144     
1 1 1 18 28 3  o 13.3664 4.48571 -1.08801     2.85722  0.192685     2.22197  4.73736     97.8492     3.23814     277.849     
1 1 1 18 28 4  o 18.075  5.49505 3.25534      2.4186   3.10658      3.24203  10.0899     286.342     4.36433     286.342     
1 1 1 18 28 5  o 17.1441 5.27588 3.10406      2.32849  1.67769      3.19152  10.3451     192.07      3.48016     12.07       
1 1 1 18 28 6  o 12.183  4.17733 -0.537929    2.0848   -3.13444     2.99856  2.85821     245.037     1.61643     65.0365     
1 1 1 18 28 7  o 15.0702 4.89836 1.64611      2.20588  0.0477277    3.31094  7.5004      115.332     1.24899     115.332     
1 1 1 18 28 8  o 16.4394 5.1589  2.99808      2.34075  0.361598     3.41108  8.8936      313.852     6.67586     133.852     
1 1 1 18 28 9  f 12.2192 4.20849 -0.697097    1.93927  -3.1216      3.35854  5.38553     125.251     0           0           
1 1 1 18 28 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 28 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 28 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 18 28 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 0  1  o 68.2044 5.39135 26.5385      5.48115  26.5385      5.48115  76.2668     90          3.37523     90          
1 1 1 19 0  2  o 64.8876 5.52914 24.1655      5.31207  24.1655      5.31207  104.644     1.66049e-06 69.2924     1.66049e-06 
1 1 1 19 0  3  o 17.8203 7.90215 1.06656      4.50078  1.06656      4.50078  3.30457     270         14.9756     270         
1 1 1 19 0  4  o 13.0373 6.38411 -3.52011     4.40456  -3.52011     4.40456  6.22886     180         16.5464     180         
1 1 1 19 0  5  o 15.4049 6.87635 0.632028     3.47017  0.632028     3.47017  28.1378     90          79.3528     90          
1 1 1 19 0  6  o 65.4001 4.19575 24.0296      4.14146  24.0296      4.14146  107.588     180         74.8488     180         
1 1 1 19 0  7  o 20.3703 7.8993  3.26881      3.55765  3.26881      3.55765  14.089      270         62.562      270         
1 1 1 19 0  8  o 110.162 3.12822 66.692       5.28712  66.692       5.28712  140.585     180         40.6944     180         
1 1 1 19 0  9  o 118.633 3.65521 77.5574      6.64845  77.5574      6.64845  132.3       90          5.76288     90          
1 1 1 19 0  10 o 60.7325 5.58867 21.373       4.98236  21.373       4.98236  29.7076     1.11158e-06 73.0181     180         
1 1 1 19 0  11 o 79.199  4.59585 35.215       5.51521  35.215       5.51521  95.4423     90          18.2907     90          
1 1 1 19 0  12 o 134.054 3.49931 98.9214      7.20123  98.9214      7.20123  139.533     2.23365e-06 12.8734     180         
1 1 1 19 0  13 o 12.2206 5.95268 -2.61054     3.70729  -2.61054     3.70729  5.85209     270         15.6923     270         
1 1 1 19 0  14 o 64.0902 3.25854 22.8561      3.17695  22.8561      3.17695  72.128      1.67567e-06 4.89915     1.67567e-06 
1 1 1 19 0  15 o 93.2083 2.7532  47.7913      3.93597  47.7913      3.93597  126.22      90          49.9409     90          
1 1 1 19 0  16 f 28.7336 6.66113 5.85234      2.61303  5.85234      2.61303  22.9447     180         0           0           
1 1 1 19 0  17 o 114.542 2.58639 72.0301      4.55136  72.0301      4.55136  144.435     90          40.4946     90          
1 1 1 19 0  18 o 78.3832 3.04573 34.0206      3.6507   34.0206      3.6507   96.5136     3.77796e-06 23.2352     3.77797e-06 
1 1 1 19 0  19 o 15.2914 6.43233 1.51246      2.65055  1.51246      2.65055  0.81876     90          12.2619     270         
1 1 1 19 0  20 o 32.5376 6.41637 7.13802      2.78138  7.13802      2.78138  27.2619     1.84111e-05 21.3077     1.84111e-05 
1 1 1 19 0  21 o 21.2413 7.15047 3.78943      2.66951  3.78943      2.66951  13.9932     270         4.50744     270         
1 1 1 19 0  22 o 72.0865 3.05631 28.9106      3.36446  28.9106      3.36446  92.2706     180         29.1277     180         
1 1 1 19 0  23 o 8.30086 4.14599 -2.49961     2.14114  -2.49961     2.14114  4.59858     89.9999     13.4243     89.9999     
1 1 1 19 0  24 o 16.6948 6.45316 2.29556      2.3662   2.29556      2.3662   1.27615     180         0.210589    360         
1 1 1 19 0  25 o 20.1636 6.79643 3.45021      2.4125   3.45021      2.4125   12.7573     270         15.4949     90          
1 1 1 19 0  26 o 12.4479 5.51335 0.618618     2.18411  0.618618     2.18411  0.842161    180         10.0946     8.65205e-06 
1 1 1 19 0  27 f 13.3494 5.7213  1.07326      2.17601  1.07326      2.17601  33.0209     270         0           0           
1 1 1 19 0  28 o 84.5478 2.6605  39.6342      3.44817  39.6342      3.44817  112.195     1.58452e-06 43.7242     1.58452e-06 
1 1 1 19 0  29 o 11.2738 5.1749  0.0483468    2.14336  0.0483468    2.14336  0.421407    89.9999     0.831918    270         
1 1 1 19 0  30 o 27.9768 6.58825 5.77894      2.5273   5.77894      2.5273   41.1454     360         23.2748     360         
1 1 1 19 0  31 o 10.7302 5.00853 -0.241843    2.13571  -0.241843    2.13571  12.3458     270         46.6512     270         
1 1 1 19 0  32 o 36.9448 5.41159 8.74666      2.71676  8.74666      2.71676  37.2391     180         3.90761     8.64929e-06 
1 1 1 19 0  33 o 11.7325 5.3668  0.22917      2.27828  0.22917      2.27828  2.14744     270         7.38164     90          
1 1 1 19 0  34 o 34.6843 5.59929 7.92658      2.6056   7.92658      2.6056   44.8692     180         16.4583     180         
1 1 1 19 0  35 o 15.9134 6.4519  2.17748      2.50952  2.17748      2.50952  8.21149     270         13.9525     90          
1 1 1 19 0  36 o 17.6431 6.79622 2.9085       2.61516  2.9085       2.61516  13.8369     0           4.61318     0           
1 1 1 19 0  37 f 10.7792 5.05342 -0.170086    2.21267  -0.170086    2.21267  3.92008     270         0           0           
1 1 1 19 0  38 o 10.1861 4.87834 -0.670572    2.27067  -0.670572    2.27067  1.57932     7.81378e-06 3.33533     180         
1 1 1 19 0  39 o 7.83816 4.00636 -4.17909     2.5183   -4.17909     2.5183   0.703356    90          9.97137     90          
1 1 1 19 0  40 o 33.5821 5.78633 7.88134      2.59234  7.88134      2.59234  42.9174     1.8543e-06  15.7904     1.8543e-06  
1 1 1 19 0  41 o 16.0959 6.43287 2.57311      2.44559  2.57311      2.44559  14.8068     270         0.999523    270         
1 1 1 19 0  42 o 10.6253 5.10003 -0.545682    2.50976  -0.545682    2.50976  4.12046     360         7.43025     180         
1 1 1 19 0  43 o 16.224  6.4651  2.75735      2.46071  2.75735      2.46071  18.4395     270         5.64558     270         
1 1 1 19 0  44 o 8.19159 4.21712 -5.47115     3.0721   -5.47115     3.0721   1.12647     180         7.24996     360         
1 1 1 19 0  45 f 18.053  7.47821 4.04518      3.48656  4.04518      3.48656  21.0863     270         0           0           
1 1 1 19 0  46 o 10.4674 5.12856 -1.00932     2.85264  -1.00932     2.85264  2.7648      360         1.04726     180         
1 1 1 19 0  47 o 11.8178 5.52066 0.610243     2.60313  0.610243     2.60313  3.00636     90          16.0384     270         
1 1 1 19 0  48 o 16.4045 6.64223 3.1461       2.65469  3.1461       2.65469  10.2831     180         2.72399     180         
1 1 1 19 0  49 o 22.9241 7.17465 5.50975      2.66656  5.50975      2.66656  12.9292     90          9.67187     90          
1 1 1 19 0  50 o 14.12   6.10993 2.36321      2.53411  2.36321      2.53411  8.98726     180         8.58916     360         
1 1 1 19 0  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 1  0  o 25.2367 9.28672 5.24582      4.69502  5.24582      4.69502  17.1956     270         86.5758     270         
1 1 1 19 1  1  o 138.14  3.55487 101.694      7.5069   108.541      7.58804  138.671     107.454     21.5777     287.454     
1 1 1 19 1  2  o 23.3237 6.9436  -0.900393    4.02502  1.90179      4.54025  1.87357     239.17      34.7355     239.17      
1 1 1 19 1  3  o 62.2401 4.91729 22.8665      4.71049  20.6832      4.55123  75.2653     264.314     25.1844     264.314     
1 1 1 19 1  4  o 89.8617 3.78901 45.4216      5.24053  43.8791      5.19754  106.843     267.998     23.404      267.998     
1 1 1 19 1  5  o 24.2346 6.80487 -1.25309     4.01693  3.86321      4.00148  3.25065     79.1231     16.5826     259.123     
1 1 1 19 1  6  o 85.1499 3.54262 43.8067      4.62388  36.4536      4.59631  80.5574     256.934     19.8051     76.9338     
1 1 1 19 1  7  o 98.8143 3.38831 52.2667      4.91095  55.4384      5.36957  112.423     228.963     14.2659     228.963     
1 1 1 19 1  8  o 73.5881 4.28302 31.5578      4.75136  28.8465      4.85502  80.058      357.828     6.63961     357.828     
1 1 1 19 1  9  o 20.0733 6.14018 1.78303      3.6868   -4.63438     3.83479  0.225907    98.1762     2.36412     98.1762     
1 1 1 19 1  10 f 86.4982 3.65252 43.7077      4.85762  39.234       4.81883  130.494     14.6967     0           0           
1 1 1 19 1  11 o 40.1334 6.27433 8.4477       3.77359  10.5328      3.78586  37.6414     33.0318     15.1675     33.0318     
1 1 1 19 1  12 o 22.8958 6.11635 4.60383      3.34845  -2.48915     3.42934  1.78859     55.3702     24.1701     235.37      
1 1 1 19 1  13 o 36.3797 5.85147 5.28693      3.27121  10.4362      3.25647  32.4126     275.404     10.4578     275.404     
1 1 1 19 1  14 o 21.1145 5.9318  1.43399      2.8571   1.52948      2.9061   1.57822     100.523     20.1509     280.523     
1 1 1 19 1  15 o 69.1169 3.53203 26.6543      3.87139  26.5229      3.59099  70.5732     247.222     4.0175      67.2217     
1 1 1 19 1  16 o 22.5428 6.1013  2.67988      3.04101  1.5853       2.89831  5.83798     205.363     51.6804     205.363     
1 1 1 19 1  17 o 33.0643 5.36502 8.29006      2.72378  4.728        2.69399  24.8376     273.135     12.8626     93.1355     
1 1 1 19 1  18 o 86.223  2.85644 43.3124      3.79797  39.0345      3.75999  95.5243     263.728     7.28199     263.728     
1 1 1 19 1  19 o 36.4036 5.31248 10.0277      2.88087  5.84927      2.88995  32.5773     57.1313     7.05945     237.131     
1 1 1 19 1  20 o 73.5426 3.26752 30.4459      3.70831  29.9821      3.65511  72.7964     280.417     11.0455     100.417     
1 1 1 19 1  21 o 18.3778 4.95871 3.56269      2.47867  -4.13016     2.433    5.21735     97.6176     0.0670726   277.618     
1 1 1 19 1  22 o 23.1514 5.62222 2.73437      2.40672  3.20937      2.43985  18.4447     303.452     6.0066      303.452     
1 1 1 19 1  23 o 65.2907 3.17627 22.1506      3.16531  25.7525      3.16739  56.2704     157.097     25.9816     337.097     
1 1 1 19 1  24 o 53.0478 3.60786 13.7184      2.9287   18.4583      2.80766  59.4378     68.2216     8.07684     68.2216     
1 1 1 19 1  25 o 30.4764 5.1469  6.27357      2.40721  5.05598      2.36839  31.8377     35.9131     5.16362     35.9131     
1 1 1 19 1  26 o 55.8438 3.37036 18.5014      2.88797  16.9371      2.84996  73.9121     77.8458     31.7294     77.8458     
1 1 1 19 1  27 o 40.0777 4.43411 8.07675      2.5391   11.0272      2.73274  39.3059     139.543     3.51651     319.543     
1 1 1 19 1  28 o 24.1928 5.61816 2.7831       2.29227  4.2718       2.5758   20.286      114.874     4.76688     294.874     
1 1 1 19 1  29 o 28.1081 5.53638 5.142        2.34904  4.78784      2.63545  35.9016     114.934     22.97       114.934     
1 1 1 19 1  30 o 17.1859 5.08765 1.55095      2.23833  -0.572181    2.43125  11.1308     304.565     8.3108      124.565     
1 1 1 19 1  31 o 56.9777 3.28987 18.0775      2.85416  19.2849      2.86631  74.9598     5.0637      31.0685     5.0637      
1 1 1 19 1  32 o 12.7339 4.24497 -2.04068     2.13518  -1.77693     2.1869   3.47765     281.958     4.67565     101.958     
1 1 1 19 1  33 o 49.5567 3.66619 15.0672      2.76897  13.8939      2.74049  48.2091     273.653     6.37089     93.6533     
1 1 1 19 1  34 o 17.8562 5.15663 1.61454      2.25856  0.844803     2.24769  12.3774     129.796     2.11405     309.796     
1 1 1 19 1  35 o 14.6965 4.68601 -2.08412     2.26574  0.52464      2.33635  6.38021     194.265     4.59694     14.2649     
1 1 1 19 1  36 o 19.7888 5.36867 4.40095      2.7013   -1.34878     2.53664  15.9695     60.7539     1.70669     240.754     
1 1 1 19 1  37 o 17.879  5.4508  1.18387      2.81663  0.824902     2.63767  12.7494     263.732     4.14805     263.732     
1 1 1 19 1  38 o 13.4361 4.4427  -1.22614     2.31557  -1.31751     2.2543   5.36946     105.317     10.7201     285.317     
1 1 1 19 1  39 o 25.5191 5.75773 1.63705      2.88693  7.75843      2.93325  22.4666     35.5295     4.91139     215.529     
1 1 1 19 1  40 o 14.3842 4.70119 -1.52865     2.44214  -0.036883    2.47912  8.34405     275.588     6.80132     95.5884     
1 1 1 19 1  41 o 14.0812 4.577   -2.20872     2.33244  0.612817     2.33786  3.70151     180.499     16.9076     0.498567    
1 1 1 19 1  42 o 20.2193 5.61884 2.5827       2.59792  3.33013      2.54432  19.4205     260.057     2.96887     260.057     
1 1 1 19 1  43 o 14.5358 4.8648  -0.560743    2.6355   -1.79967     3.19994  12.0343     1.6475      3.31975     1.6475      
1 1 1 19 1  44 o 16.9457 5.14751 2.55553      2.46466  0.26406      2.50126  14.6294     92.5254     0.0506492   272.525     
1 1 1 19 1  45 o 14.8816 4.92693 -0.866484    2.86142  0.216014     2.8086   9.97811     222.171     3.58756     222.172     
1 1 1 19 1  46 o 23.5591 6.29465 5.48509      3.19417  5.63771      3.0613   27.6769     29.8629     16.0306     29.8629     
1 1 1 19 1  47 o 16.0959 5.16926 0.753408     2.50217  1.53205      3.05316  11.3338     278.296     3.82858     278.296     
1 1 1 19 1  48 o 13.2535 4.49736 -0.845539    2.81302  -1.66229     2.45831  4.43905     160.228     4.23766     340.228     
1 1 1 19 1  49 o 13.0153 4.41245 -3.16558     2.84033  -0.0373285   2.4206   3.27628     348.709     1.32819     168.709     
1 1 1 19 1  50 o 14.3317 4.68616 -0.822428    2.54337  1.6961       2.44333  9.27327     132.515     0.377581    132.515     
1 1 1 19 1  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 2  0  o 33.9484 7.22008 7.86258      3.28911  7.86258      3.28911  15.1114     270         41.4711     90          
1 1 1 19 2  1  f 26.1502 6.45011 2.98513      3.23417  3.95408      3.17331  54.1753     225.538     0           0           
1 1 1 19 2  2  o 73.5745 3.48079 29.2142      3.94439  30.5919      3.89432  95.4311     315.54      39.2822     315.54      
1 1 1 19 2  3  o 26.1219 6.40735 3.89943      3.20084  3.11666      3.10283  2.47081     222.824     34.7838     42.8236     
1 1 1 19 2  4  o 94.0677 2.98758 47.2595      4.35689  50.046       4.27042  108.285     284.522     16.6096     284.522     
1 1 1 19 2  5  o 49.3886 4.5858  15.1188      3.39362  12.4343      3.38253  52.3477     319.505     9.81712     319.505     
1 1 1 19 2  6  o 72.1079 3.88847 27.0185      4.09184  30.7554      4.48127  96.3356     292.904     45.6085     292.904     
1 1 1 19 2  7  o 19.0902 5.76751 -1.98187     3.21018  1.25476      3.01523  1.02815     55.9477     6.62084     55.9477     
1 1 1 19 2  8  o 20.6211 5.85868 2.03999      2.88032  0.138991     2.89784  4.19063     350.431     29.7285     350.431     
1 1 1 19 2  9  o 116.336 2.67315 72.3412      4.77599  76.2797      4.78656  159.716     39.6918     71.5738     39.6918     
1 1 1 19 2  10 o 46.4969 4.79109 13.9865      3.4294   10.7027      3.20747  39.0083     113.285     13.1242     293.285     
1 1 1 19 2  11 o 61.1025 3.92763 20.1323      3.67145  21.5578      3.63342  82.6452     348.321     45.6739     348.321     
1 1 1 19 2  12 o 71.7353 3.82203 28.7385      4.42428  28.5648      3.9431   76.0575     225.751     2.13219     225.752     
1 1 1 19 2  13 o 27.393  6.89569 1.81888      3.3764   5.79756      4.12539  1.16714     84.1989     46.4241     264.199     
1 1 1 19 2  14 o 25.9788 6.35805 4.71275      3.07134  2.12847      3.31182  11.4975     94.8469     8.53568     274.847     
1 1 1 19 2  15 o 21.7036 6.08948 2.36301      3.20962  0.832799     2.8894   4.4147      288.304     8.03037     108.304     
1 1 1 19 2  16 o 28.3395 6.55145 4.05894      3.58299  4.98094      3.05703  15.2302     118.308     4.2427      118.308     
1 1 1 19 2  17 o 69.8569 3.69068 28.0866      4.06207  26.5442      3.82152  62.9597     112.742     21.9643     292.742     
1 1 1 19 2  18 o 21.8139 5.90204 2.20048      2.68077  1.88987      2.86161  2.69019     296.238     45.2757     296.238     
1 1 1 19 2  19 o 23.2454 5.75228 3.41731      2.43846  2.21443      2.70941  3.98084     289.381     52.9241     289.381     
1 1 1 19 2  20 o 51.6909 3.69719 18.6465      2.84999  11.9305      2.82436  43.7644     356.422     21.2358     176.422     
1 1 1 19 2  21 o 31.7474 5.10054 7.18454      2.46822  4.91757      2.43211  21.4205     331.734     20.9366     151.734     
1 1 1 19 2  22 o 26.3664 5.35526 2.0587       2.42369  6.08975      2.47084  23.3385     125.363     1.78837     305.363     
1 1 1 19 2  23 o 36.8431 5.04975 11.4114      2.6306   5.18401      2.83298  48.094      139.596     25.5391     139.596     
1 1 1 19 2  24 o 24.6922 5.85183 4.70227      2.80814  2.35352      2.53151  22.5212     337.549     3.15543     337.549     
1 1 1 19 2  25 o 61.402  3.39782 21.9672      3.0972   20.7837      3.26649  76.2877     64.6091     23.8467     64.6092     
1 1 1 19 2  26 o 25.2345 4.94826 6.79353      2.38885  0.263223     2.36643  18.308      1.9754      11.6244     181.975     
1 1 1 19 2  27 o 18.1123 5.156   0.707434     2.22331  1.55196      2.21427  7.98542     332.7       1.37053     332.7       
1 1 1 19 2  28 o 22.2593 5.38747 3.55464      2.27097  2.11404      2.23492  21.257      101.273     9.55386     101.273     
1 1 1 19 2  29 o 74.4556 2.83741 29.9547      3.23023  32.5059      3.24836  84.4592     117.891     11.5718     117.891     
1 1 1 19 2  30 o 43.7094 4.03604 10.1707      2.62806  12.429       2.64948  48.0555     70.9548     5.37958     70.9548     
1 1 1 19 2  31 o 72.9965 2.94708 31.2246      3.21315  29.3751      3.37401  75.2555     49.2403     3.28222     229.24      
1 1 1 19 2  32 o 19.5464 5.25543 3.22171      2.28785  0.15605      2.38426  16.3692     232.768     5.23466     232.768     
1 1 1 19 2  33 o 27.2235 5.52278 5.55259      2.35915  4.16368      2.57926  19.7462     150.677     13.9582     330.677     
1 1 1 19 2  34 o 16.7539 5.04746 -0.356136    2.28357  1.3913       2.36489  7.70867     199.958     12.5721     19.9581     
1 1 1 19 2  35 o 17.0844 5.13562 1.26748      2.37281  0.180843     2.38031  4.98505     87.3332     1.54881     87.3332     
1 1 1 19 2  36 o 31.352  5.43795 4.42098      2.68198  9.08631      2.7302   27.6454     262.563     6.96258     82.5629     
1 1 1 19 2  37 o 21.5271 5.32664 0.975818     2.35701  4.7326       2.38333  20.2053     138.389     2.15347     138.389     
1 1 1 19 2  38 o 25.9433 4.96414 8.78885      2.63903  -0.30578     2.65022  22.0854     357.849     6.73107     177.849     
1 1 1 19 2  39 o 28.0833 6.13088 7.27217      2.96601  4.96664      2.9777   36.2964     287.304     20.2903     287.304     
1 1 1 19 2  40 o 20.0928 5.85722 3.12602      2.86843  1.8591       3.05624  18.4838     308.965     1.60233     308.965     
1 1 1 19 2  41 o 21.1789 5.88364 2.24034      2.92552  4.19252      2.8116   20.0164     314.451     3.0269      314.451     
1 1 1 19 2  42 o 15.0693 4.92603 -2.53512     2.78908  1.03307      2.75103  11.1647     39.819      0.934157    219.819     
1 1 1 19 2  43 o 19.4954 5.51531 2.82688      2.47858  2.75675      2.53947  10.5161     336.452     16.4359     156.452     
1 1 1 19 2  44 o 13.7179 4.56636 -0.149262    2.54402  -1.66008     2.43607  9.91585     97.6338     0.309535    277.634     
1 1 1 19 2  45 o 17.0102 5.22151 1.32899      2.5542   1.98351      2.53354  14.895      303.94      6.72656     303.94      
1 1 1 19 2  46 o 16.3969 5.25924 1.06202      2.84819  1.30304      2.90137  13.6413     298.372     0.996901    298.372     
1 1 1 19 2  47 o 15.6109 5.07815 1.5329       2.78864  -0.406925    2.8967   8.01148     273.056     2.98259     273.056     
1 1 1 19 2  48 o 14.6983 4.67921 2.42597      2.40663  -2.73027     2.43676  2.70808     21.4305     0.0354879   21.4303     
1 1 1 19 2  49 o 14.0046 4.61076 -1.53405     2.38987  1.26809      2.5154   6.6724      270.232     3.01747     90.232      
1 1 1 19 2  50 o 16.1424 5.08504 2.66142      2.6107   1.18826      2.52785  6.40962     196.663     3.41335     196.663     
1 1 1 19 2  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 3  0  o 132.626 2.42839 96.2009      4.95197  96.2009      4.95197  124.14      90          41.1941     270         
1 1 1 19 3  1  o 69.2257 3.36937 26.4035      3.56039  26.5337      3.5793   61.6378     173.652     21.6909     353.652     
1 1 1 19 3  2  o 64.9948 3.4972  22.1036      3.46724  24.6814      3.47184  51.0922     297.422     33.6117     117.422     
1 1 1 19 3  3  o 49.8157 4.75846 14.7304      3.48006  13.3153      3.61465  34.1769     42.6652     32.2935     222.665     
1 1 1 19 3  4  o 23.2332 6.29274 3.45128      3.28932  0.439511     3.20038  1.41578     264.517     6.36612     84.5168     
1 1 1 19 3  5  o 76.1376 3.57729 27.8501      4.14477  36.5793      4.12976  72.4777     326.902     15.259      146.902     
1 1 1 19 3  6  o 18.2236 5.67143 -0.383145    3.08621  -1.06269     3.09346  11.4804     85.5303     43.3426     85.5303     
1 1 1 19 3  7  o 74.5196 3.55649 29.294       4.08896  32.2238      4.01349  77.758      93.7821     0.282567    273.782     
1 1 1 19 3  8  o 79.3288 3.2969  35.743       4.12567  33.7838      3.89443  87.4607     0.730011    8.6306      0.730009    
1 1 1 19 3  9  o 173.869 2.5508  164.614      6.81865  166.834      6.84025  251.122     51.7383     127.585     51.7383     
1 1 1 19 3  10 o 102.283 2.98321 56.5523      4.68181  58.6905      4.6944   114.037     359.603     9.9965      359.603     
1 1 1 19 3  11 o 132.275 2.85055 98.6221      6.07862  93.9008      5.51761  197.079     3.78881     111.694     3.78881     
1 1 1 19 3  12 o 21.4955 6.03347 2.1979       3.1298   0.840402     2.85508  5.07379     317.507     42.1888     317.507     
1 1 1 19 3  13 o 32.4694 5.64398 10.715       3.31343  1.72333      2.99168  20.004      0.454377    18.2059     180.454     
1 1 1 19 3  14 f 58.0493 3.8314  20.2075      3.2826   17.5745      3.45554  61.1161     333.322     0           0           
1 1 1 19 3  15 o 31.5484 5.61281 7.44159      2.8172   4.37322      2.71978  22.0066     242.456     12.9024     62.4555     
1 1 1 19 3  16 o 31.3071 5.92551 6.59758      2.92417  5.06295      2.93306  22.589      123.776     11.9997     303.776     
1 1 1 19 3  17 o 71.3658 3.26023 24.5802      3.51096  32.3838      3.56855  45.2474     272.992     61.3853     92.9917     
1 1 1 19 3  18 o 26.7783 5.98205 4.23313      2.7322   4.10072      2.78898  20.5888     223.057     4.37678     43.0569     
1 1 1 19 3  19 o 19.9536 5.71877 1.31494      2.59791  1.08308      2.87749  4.96346     288.425     0.0289518   108.425     
1 1 1 19 3  20 o 31.6671 6.0294  6.01404      2.98789  6.19305      3.02261  26.7957     179.211     8.58254     359.211     
1 1 1 19 3  21 o 20.814  5.58727 0.279662     2.2765   3.44345      2.8322   8.83586     205.403     19.3499     25.4029     
1 1 1 19 3  22 o 21.8425 5.44447 1.3927       2.29298  3.54707      2.38995  9.82543     152.557     20.46       332.557     
1 1 1 19 3  23 o 25.389  5.25317 1.96046      2.33119  5.56851      2.32788  24.0199     66.6885     3.70394     66.6885     
1 1 1 19 3  24 o 22.4047 5.50358 3.25686      2.30938  2.28812      2.36971  18.1136     157.074     0.411692    337.075     
1 1 1 19 3  25 o 43.1965 4.1834  10.3263      2.68721  11.4473      2.7273   47.9043     50.2046     7.26281     50.2046     
1 1 1 19 3  26 o 18.5535 5.2727  2.18379      2.33396  -0.218486    2.45795  3.49145     218.904     26.6767     38.9041     
1 1 1 19 3  27 o 39.5947 4.3571  10.053       2.6492   8.51025      2.48869  51.0565     190.682     22.7503     190.682     
1 1 1 19 3  28 o 47.3914 3.80462 15.8013      2.75216  10.491       2.61893  50.6785     202.992     2.79986     202.992     
1 1 1 19 3  29 o 44.8417 3.93352 10.5785      2.63833  13.0136      2.64802  42.1988     187.885     9.09514     7.88456     
1 1 1 19 3  30 o 66.8818 3.02608 25.1344      3.11788  25.7389      3.08155  76.5845     164.127     12.4432     164.127     
1 1 1 19 3  31 o 23.706  5.49854 2.76715      2.37414  4.21736      2.32794  18.9095     295.353     7.52845     115.353     
1 1 1 19 3  32 o 24.7859 5.35674 1.89142      2.38544  5.80151      2.42942  18.9733     311.791     9.7071      131.791     
1 1 1 19 3  33 o 34.5308 4.87462 6.36264      2.50397  8.75162      2.49294  36.6911     352.336     4.46755     352.336     
1 1 1 19 3  34 o 41.6473 4.30891 10.2668      2.68476  10.9246      2.67538  47.558      228.76      10.6549     228.76      
1 1 1 19 3  35 o 24.7186 5.42355 6.04862      2.49815  1.84102      2.46268  25.1482     272.446     16.4647     272.446     
1 1 1 19 3  36 o 23.9052 5.84095 3.45478      2.64276  4.36438      2.61147  22.2723     88.6098     0.655024    88.6098     
1 1 1 19 3  37 o 28.5565 6.25405 4.48254      2.94837  7.82642      3.25009  31.9963     12.0505     9.98313     12.0505     
1 1 1 19 3  38 o 19.9736 5.69754 4.00175      2.98966  0.565647     2.57662  19.8912     288.362     7.47055     288.362     
1 1 1 19 3  39 o 22.4704 6.08367 2.63974      2.86761  4.76297      3.0848   18.4182     74.438      5.89956     254.438     
1 1 1 19 3  40 o 15.6712 5.11335 -0.344744    2.85738  -0.551849    2.89619  9.56328     249.697     3.29323     249.697     
1 1 1 19 3  41 o 15.6005 5.00549 1.16628      2.65833  -1.3613      2.65916  10.0492     41.6563     2.43063     41.6563     
1 1 1 19 3  42 f 17.8627 5.21144 -0.267219    2.51588  3.36115      2.46174  8.08211     61.4314     0           0           
1 1 1 19 3  43 o 24.7779 5.72738 6.8122       2.6796   3.32567      2.62429  19.4416     157.258     9.55729     337.258     
1 1 1 19 3  44 o 18.1492 5.44835 -0.736456    3.48333  3.48605      2.52209  17.4815     294.139     4.61821     294.139     
1 1 1 19 3  45 o 20.6935 5.64552 2.18072      2.65548  4.90338      2.6435   19.3324     207.883     1.15116     207.883     
1 1 1 19 3  46 o 14.7062 4.76786 0.572138     2.49429  0.101362     2.39558  10.9367     118.336     2.44798     118.336     
1 1 1 19 3  47 o 13.9835 4.69066 -0.305397    2.72293  -1.06468     2.71694  7.10325     163.45      0.46639     343.45      
1 1 1 19 3  48 o 15.5874 5.08294 0.38125      2.80594  1.01639      2.86771  7.59972     157.034     2.22416     337.034     
1 1 1 19 3  49 o 11.9329 4.09407 -2.13287     2.36749  -1.42839     2.33946  3.57383     298.645     4.93092     118.645     
1 1 1 19 3  50 o 12.8234 4.31004 1.17355      2.37294  -3.48841     2.47602  7.40797     83.1585     2.22063     263.159     
1 1 1 19 3  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 4  0  o 15.5244 6.76545 1.08105      3.15822  1.08105      3.15822  2.99347     90.0001     9.6944      90.0001     
1 1 1 19 4  1  o 44.2532 5.33878 9.24403      3.49122  13.3667      3.45595  42.4447     138.88      3.14651     138.88      
1 1 1 19 4  2  f 118.057 2.86069 81.5334      5.21748  71.7112      5.15568  123.401     19.9994     0           0           
1 1 1 19 4  3  o 79.343  3.45125 37.6498      4.20539  32.03        4.168    71.8577     261.672     23.7987     81.6723     
1 1 1 19 4  4  o 80.2522 3.69859 35.6163      4.5978   35.7181      4.49295  75.1407     300.998     19.0647     120.998     
1 1 1 19 4  5  o 34.9383 6.38148 9.48255      3.63069  4.8967       3.46011  11.8248     94.2405     4.43516     94.2405     
1 1 1 19 4  6  o 63.0044 4.49019 22.4716      4.57318  22.0461      4.00301  57.4921     16.5604     14.8394     196.56      
1 1 1 19 4  7  o 117.132 3.26603 77.6414      6.21479  73.6643      5.53872  139.745     54.9443     29.1339     54.9444     
1 1 1 19 4  8  o 34.5793 5.71166 12.6705      3.50568  1.19851      3.41093  20.2655     319.643     6.67919     319.643     
1 1 1 19 4  9  o 64.4176 3.68759 23.2729      3.80354  22.8872      3.44251  87.2925     11.2943     46.5106     11.2943     
1 1 1 19 4  10 o 62.8902 3.6547  27.8289      3.46036  16.8648      3.387    54.0414     91.4882     22.6358     271.488     
1 1 1 19 4  11 o 63.4587 3.81532 25.6789      3.75075  19.4675      3.59563  81.1238     130.871     33.7104     130.871     
1 1 1 19 4  12 o 107.846 3.02501 62.5093      4.73702  65.8369      5.28654  121.378     323.182     12.3665     323.182     
1 1 1 19 4  13 o 27.6015 6.09418 4.31805      2.81717  4.41134      2.92848  7.98843     254.782     32.7599     74.7822     
1 1 1 19 4  14 o 61.3911 3.51269 21.2411      3.29665  20.7963      3.28793  63.8546     202.79      0.174107    202.79      
1 1 1 19 4  15 o 39.9763 5.11973 8.91444      3.19429  9.69388      2.85833  25.8973     179.887     28.4537     359.887     
1 1 1 19 4  16 o 19.5949 5.41949 -0.120341    2.38142  2.57012      2.54443  4.03336     43.1782     5.91481     223.178     
1 1 1 19 4  17 o 30.7988 5.39533 6.7816       2.50352  4.49904      2.6508   3.54758     321.121     69.4112     321.121     
1 1 1 19 4  18 o 41.6582 4.33391 8.80609      2.68892  11.2273      2.6665   34.8672     120.815     15.6414     300.815     
1 1 1 19 4  19 o 36.7349 5.62807 11.998       2.92348  4.40419      3.46374  18.8249     40.0362     37.8885     220.036     
1 1 1 19 4  20 o 20.5969 5.75497 1.73195      2.70038  1.51832      2.69806  10.8621     304.408     1.77921     304.408     
1 1 1 19 4  21 o 20.0496 5.648   2.15455      2.66682  0.640255     2.63258  12.3833     192.93      2.64957     12.9303     
1 1 1 19 4  22 o 46.7725 4.57582 13.6076      3.00476  11.9221      3.35166  34.5795     357.475     28.4677     177.475     
1 1 1 19 4  23 o 23.7748 5.8291  2.43665      2.64919  3.86255      2.61941  12.6887     177.097     19.3042     357.097     
1 1 1 19 4  24 o 59.7423 3.26869 23.7177      2.96855  16.8964      2.93056  81.9796     106.096     39.6803     106.096     
1 1 1 19 4  25 o 46.9327 3.7706  13.7805      2.67909  11.6145      2.6566   43.878      165.836     9.75757     345.836     
1 1 1 19 4  26 o 20.2212 5.43163 2.616        2.37521  1.19686      2.35385  7.45205     181.492     22.2648     1.49225     
1 1 1 19 4  27 o 15.7065 4.89494 0.402499     2.40989  -1.10543     2.23823  7.31409     313.223     6.7057      133.223     
1 1 1 19 4  28 o 42.1957 4.38946 12.2172      2.7399   9.03722      2.73587  25.3433     338.727     37.2859     158.727     
1 1 1 19 4  29 o 39.0868 4.52319 8.87946      2.67777  9.51475      2.57135  51.5235     82.9275     23.5343     82.9275     
1 1 1 19 4  30 o 29.9629 5.26656 6.44019      2.43835  4.9874       2.42248  21.5608     78.461      17.4404     258.461     
1 1 1 19 4  31 o 55.0298 3.41836 17.0944      2.87244  18.0287      2.85974  41.4137     94.8036     32.2762     274.804     
1 1 1 19 4  32 f 20.0335 5.3267  3.00993      2.29615  1.24044      2.26315  5.28416     207.882     0           0           
1 1 1 19 4  33 o 15.7843 4.83333 0.809501     2.17451  -0.418354    2.1965   5.51054     176.139     0.365044    176.139     
1 1 1 19 4  34 o 28.7796 5.8239  5.23019      2.6068   6.00389      2.81912  32.9636     299.071     12.7937     299.071     
1 1 1 19 4  35 o 17.9163 5.20828 2.66669      2.33459  -1.62132     2.81534  11.9977     297.447     5.24664     117.447     
1 1 1 19 4  36 f 20.4948 5.69574 2.48974      2.54166  2.44292      2.72292  5.61999     122.224     0           0           
1 1 1 19 4  37 o 15.718  4.89883 -0.482748    2.37709  0.894248     2.2966   10.7467     165.566     0.174873    165.566     
1 1 1 19 4  38 o 21.3386 5.68203 2.04601      2.54146  4.12131      2.64149  21.6516     190.025     5.1274      190.025     
1 1 1 19 4  39 o 17.7659 5.65873 1.49618      3.30783  -0.40658     3.25954  15.7903     313.31      3.2619      313.31      
1 1 1 19 4  40 o 29.3577 6.55373 7.18737      3.25617  7.19373      3.37249  34.0288     101.548     12.547      101.548     
1 1 1 19 4  41 o 16.2844 5.09414 -1.16782     2.79313  1.85996      2.49137  12.417      183.122     3.56731     183.122     
1 1 1 19 4  42 o 14.1902 4.66724 -0.930814    2.41678  -0.24443     2.52083  9.7603      22.0463     3.23345     22.0463     
1 1 1 19 4  43 o 32.3496 5.52054 11.0186      2.85709  5.68729      2.81008  38.8244     355.037     14.0883     355.037     
1 1 1 19 4  44 o 25.8335 5.80468 5.95034      2.59462  5.4704       2.60262  31.2228     192.829     14.8323     192.829     
1 1 1 19 4  45 o 13.8441 4.57169 -0.584272    2.4051   -0.27612     2.41047  7.26458     256.974     2.39025     256.974     
1 1 1 19 4  46 o 13.6255 4.52257 0.264291     2.40456  -1.48969     2.45665  6.19965     281.5       2.06467     281.5       
1 1 1 19 4  47 o 17.6048 5.3037  2.94555      2.55402  1.52379      2.54922  12.8669     173.209     2.40708     353.209     
1 1 1 19 4  48 o 17.4949 5.52893 3.00475      3.18682  1.29868      2.90952  10.7077     82.8803     1.855       82.8803     
1 1 1 19 4  49 o 14.9763 4.90222 2.77867      2.8172   -2.54145     2.82582  9.05069     134.173     3.31415     314.173     
1 1 1 19 4  50 o 13.0451 4.39625 -1.52765     2.49189  0.335509     2.43731  7.8808      235.018     3.93527     55.0175     
1 1 1 19 4  51 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 5  0  o 65.9788 3.84811 24.3492      3.84638  24.3492      3.84638  88.5348     270         33.6916     270         
1 1 1 19 5  1  o 44.4386 5.25499 9.8681       3.4244   12.8601      3.48413  37.0503     112.026     10.7136     292.026     
1 1 1 19 5  2  o 42.5866 5.85441 13.2899      4.05482  8.06689      3.37008  41.477      15.3459     9.61704     15.3459     
1 1 1 19 5  3  o 55.0033 4.56428 18.9245      3.95577  15.2429      3.62148  54.8466     182.782     0.0414536   2.78236     
1 1 1 19 5  4  o 39.7751 5.94234 7.8691       3.66317  10.6416      3.3893   11.4965     345.613     103.489     345.613     
1 1 1 19 5  5  o 41.8355 5.87262 11.566       3.65891  8.879        3.63594  36.1738     102.9       4.44532     282.9       
1 1 1 19 5  6  o 51.1299 5.0365  17.6808      3.81343  12.3115      3.79055  39.2877     345.348     24.4169     165.348     
1 1 1 19 5  7  o 67.9916 5.50122 19.9368      5.44155  33.5407      5.52255  62.6003     158.294     16.1325     338.294     
1 1 1 19 5  8  o 97.7729 3.05289 50.422       4.59208  55.0404      4.57009  82.0863     318.072     44.5073     138.072     
1 1 1 19 5  9  o 36.5075 5.48236 8.84958      2.9717   6.7498       3.00755  19.4222     328.522     30.6177     148.522     
1 1 1 19 5  10 o 56.5757 3.58542 18.03        3.09339  17.6515      3.08746  54.2302     161.06      7.33286     341.06      
1 1 1 19 5  11 o 65.4839 3.49339 25.5297      3.50378  22.2196      3.47719  81.0016     47.4822     27.5689     47.4822     
1 1 1 19 5  12 o 21.6836 5.81067 3.33824      2.67715  -0.262856    3.03596  4.02244     135.983     17.1131     315.983     
1 1 1 19 5  13 o 93.5084 2.95639 41.9933      4.06209  55.0687      4.41083  95.3553     26.0646     8.39134     206.065     
1 1 1 19 5  14 o 20.7318 5.72699 3.42186      3.04854  -0.986528    2.59934  0.872428    127.168     34.8352     127.168     
1 1 1 19 5  15 o 28.4302 5.83822 4.88575      2.85701  4.65127      2.55786  18.1906     112.845     14.4364     292.845     
1 1 1 19 5  16 o 86.6498 2.80008 46.5697      3.60388  36.7963      3.78292  100.117     2.8887      16.1801     2.8887      
1 1 1 19 5  17 o 47.8025 4.01225 11.901       2.94123  14.1321      2.81181  40.7058     309.286     17.7434     129.286     
1 1 1 19 5  18 o 32.7906 5.44516 6.27768      2.546    6.6139       2.85937  26.9835     208.111     10.9653     28.1108     
1 1 1 19 5  19 o 30.2471 5.25108 3.71707      2.48062  7.32461      2.50565  33.6497     208.166     12.2824     208.166     
1 1 1 19 5  20 o 30.1898 5.09568 2.86559      2.49822  8.15464      2.44712  22.2577     132.025     15.0922     312.025     
1 1 1 19 5  21 o 32.4996 5.39427 5.60687      2.77037  7.18907      2.55849  24.8649     164.402     15.1611     344.402     
1 1 1 19 5  22 o 19.6989 5.59617 0.834292     2.56087  1.85703      2.65048  12.0247     113.91      4.75441     293.91      
1 1 1 19 5  23 o 55.9039 3.97094 19.6386      3.21337  16.3409      3.46565  56.0445     240.606     4.90141     60.6059     
1 1 1 19 5  24 o 14.63   4.78652 -1.47164     2.53217  -1.94587     2.56241  3.42597     215.134     6.90724     35.1342     
1 1 1 19 5  25 o 25.5639 5.88824 3.0028       2.67491  4.84549      2.72181  23.7999     310.249     1.65265     310.249     
1 1 1 19 5  26 o 34.2663 4.85662 6.74293      2.49521  7.48421      2.45006  45.3371     103.733     25.6225     103.733     
1 1 1 19 5  27 o 37.2062 4.71507 8.66012      2.55622  8.03295      2.6433   35.9803     160.109     3.96125     340.109     
1 1 1 19 5  28 f 44.6779 4.27236 12.0927      2.78027  11.5501      2.93763  52.1838     150.882     0           0           
1 1 1 19 5  29 o 48.5707 3.84569 14.5828      2.81152  13.0636      2.83159  44.4763     150.86      12.3824     330.86      
1 1 1 19 5  30 o 33.2733 5.21581 6.57222      2.62319  7.46893      2.58435  41.9709     171.724     18.8384     171.724     
1 1 1 19 5  31 o 17.1643 5.21182 0.164445     2.3579   0.887768     2.59241  8.10575     110.904     13.2397     290.904     
1 1 1 19 5  32 o 24.6482 5.76665 3.54753      2.38398  4.39711      2.71132  22.7452     230.402     0.0259212   230.404     
1 1 1 19 5  33 o 23.7108 5.83687 2.61149      2.7411   4.46752      2.60385  24.1959     4.09865     9.40242     4.09865     
1 1 1 19 5  34 o 19.4211 5.30225 0.652491     2.33303  3.06334      2.33951  11.5404     265.501     11.4757     85.5006     
1 1 1 19 5  35 o 21.4605 5.68588 2.27475      2.47673  3.45334      2.62291  15.5456     115.919     8.13472     295.919     
1 1 1 19 5  36 o 16.1994 4.97559 1.38295      2.35789  -0.62016     2.3532   6.21168     109.869     2.0972      109.869     
1 1 1 19 5  37 o 21.3962 5.50888 4.13507      2.42124  1.90157      2.43877  3.52493     304.188     34.8896     124.188     
1 1 1 19 5  38 o 17.2521 5.657   0.347017     4.19103  -0.602789    2.85789  14.5256     48.2001     0.552447    48.2001     
1 1 1 19 5  39 o 15.6608 5.21005 -0.310508    3.55205  -1.76621     2.80674  7.83343     266.877     11.7765     86.8766     
1 1 1 19 5  40 o 18.0913 5.48426 2.22928      2.64186  0.765782     2.91118  8.81704     97.1109     4.93675     97.1109     
1 1 1 19 5  41 o 17.0709 5.14798 2.79672      2.51252  -0.748735    2.53764  10.6489     177.628     9.35433     357.628     
1 1 1 19 5  42 o 18.6683 5.47247 3.96833      2.75756  0.0313523    2.7187   19.2771     119.183     11.3403     119.183     
1 1 1 19 5  43 o 17.4152 5.34145 2.19874      2.53996  1.03772      2.83605  15.9061     19.5785     2.27311     19.5786     
1 1 1 19 5  44 o 22.7651 5.81465 3.93659      2.58716  5.17242      2.66958  14.8416     97.2608     13.926      277.261     
1 1 1 19 5  45 o 14.2115 4.6361  -2.08732     2.34381  1.46164      2.5037   10.1695     240.265     1.10731     240.265     
1 1 1 19 5  46 o 21.8528 5.63547 1.59105      2.53648  6.86943      2.85298  23.1168     45.9296     8.32421     45.9296     
1 1 1 19 5  47 o 16.3909 5.1237  2.44463      2.53056  0.190019     2.70422  8.43293     139.924     9.59533     319.924     
1 1 1 19 5  48 o 15.6019 4.95653 2.04333      2.50552  -0.0483742   2.55424  8.73046     250.767     0.918009    70.7673     
1 1 1 19 5  49 o 15.9403 5.13178 3.08909      2.84559  -0.217767    2.84774  11.6092     123.585     1.33689     123.585     
1 1 1 19 5  50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 6  0  f 14.3277 6.40188 0.53889      3.01616  0.53889      3.01616  12.0031     90.0001     0           0           
1 1 1 19 6  1  o 100.626 3.17893 60.5094      4.7149   51.3583      5.05068  118.386     223.607     23.5473     223.607     
1 1 1 19 6  2  f 44.4807 5.62624 9.69065      3.6232   13.3337      3.77859  34.5628     47.423      0           0           
1 1 1 19 6  3  o 39.1475 5.68872 11.395       3.30451  6.66536      3.33387  22.8843     92.8137     13.2775     92.8137     
1 1 1 19 6  4  o 70.2086 3.39379 26.4886      3.61746  28.1382      3.67561  74.1661     198.613     2.67726     198.613     
1 1 1 19 6  5  o 52.7036 4.05191 16.7342      3.35334  14.4652      3.11713  60.1537     146.062     17.3429     146.062     
1 1 1 19 6  6  o 31.7809 6.0649  6.72403      3.07374  5.14188      3.02864  19.6263     99.285      12.1418     279.285     
1 1 1 19 6  7  o 58.2256 3.946   17.5928      3.38597  20.3946      3.60096  71.4622     349.688     26.8565     349.688     
1 1 1 19 6  8  o 122.043 2.80409 74.4476      4.8417   89.8658      5.69465  114.99      209.234     31.4989     29.2335     
1 1 1 19 6  9  o 30.3299 5.79132 7.89069      2.89879  2.66104      3.04479  17.7216     62.5051     3.63158     62.5051     
1 1 1 19 6  10 o 67.928  3.16236 26.8438      3.34026  24.3253      3.23674  74.4217     158.087     7.53864     158.087     
1 1 1 19 6  11 o 73.4498 2.98302 30.6282      3.39051  29.0641      3.32853  105.694     130.366     60.4458     130.366     
1 1 1 19 6  12 o 19.8746 5.63559 1.83731      2.65815  0.48886      2.6417   3.24975     200.275     37.023      200.275     
1 1 1 19 6  13 o 22.1478 5.43056 4.69695      2.61841  -1.19648     2.6822   6.39262     139.268     20.7606     319.268     
1 1 1 19 6  14 o 23.7208 5.67734 4.758        2.66699  0.797722     2.65236  12.9909     72.5798     7.61366     252.58      
1 1 1 19 6  15 o 26.9241 5.60206 5.47121      2.55734  2.99421      2.52085  19.5356     199.293     7.68362     19.2929     
1 1 1 19 6  16 o 45.5017 4.15376 9.15307      2.73761  14.8272      2.8088   33.4206     165.701     27.401      345.701     
1 1 1 19 6  17 o 28.7053 5.47875 4.42605      2.47066  5.44603      2.49965  25.8815     26.07       2.00072     206.07      
1 1 1 19 6  18 o 19.2336 5.18169 3.11034      2.3539   -1.05471     2.36345  10.6347     70.7716     3.54623     250.772     
1 1 1 19 6  19 o 18.0777 5.22428 1.05273      2.31695  0.73717      2.29622  8.42189     75.868      5.02557     255.868     
1 1 1 19 6  20 o 27.5928 5.41652 3.33363      2.44113  5.83124      2.43828  27.3432     211.934     4.79375     211.934     
1 1 1 19 6  21 o 32.9173 5.08203 6.42343      2.51423  6.62383      2.49315  34.8816     355.642     5.81325     355.642     
1 1 1 19 6  22 o 24.6944 5.45946 4.75064      2.39587  2.43369      2.34326  11.6388     131.573     24.2227     311.573     
1 1 1 19 6  23 f 23.7026 5.76173 4.48799      2.763    1.89919      2.44515  16.624      175.737     0           0           
1 1 1 19 6  24 o 23.6295 5.72851 4.50185      2.60626  1.67387      2.63937  21.7451     84.7621     6.43678     84.7621     
1 1 1 19 6  25 f 36.7931 5.2324  7.32607      2.87186  9.27415      2.8484   26.4373     181.932     0           0           
1 1 1 19 6  26 o 27.5222 5.94503 4.20213      2.79307  5.29008      2.73983  21.6577     300.934     10.3689     120.934     
1 1 1 19 6  27 o 23.7217 5.58614 4.60414      2.3616   1.73719      2.72392  24.4852     72.0696     6.09411     72.0696     
1 1 1 19 6  28 o 24.9982 5.71253 4.23801      2.35581  3.50419      2.70309  28.8624     28.5053     12.0358     28.5053     
1 1 1 19 6  29 o 17.9172 5.33158 0.432547     2.2457   1.3169       2.7449   12.6012     8.23141     5.20415     188.231     
1 1 1 19 6  30 o 28.533  5.60586 5.03987      2.5326   5.58986      2.57355  24.4355     236.907     7.14982     56.9068     
1 1 1 19 6  31 o 17.8863 5.28673 2.14163      2.67145  -0.307863    2.28435  12.1083     1.34267     1.59132     1.34267     
1 1 1 19 6  32 o 25.232  5.7705  6.22988      2.93167  2.18986      2.41016  25.3762     63.1729     5.08127     63.1729     
1 1 1 19 6  33 o 15.07   4.73404 -0.263809    2.15572  -0.108691    2.24122  1.0887      65.8696     23.678      245.87      
1 1 1 19 6  34 o 32.4645 5.26112 4.7127       2.6327   9.47872      2.65339  22.3134     195.188     20.4358     15.1882     
1 1 1 19 6  35 o 15.3668 4.97186 -1.22421     2.94846  -0.256805    2.36824  8.4338      88.8075     1.26029     268.807     
1 1 1 19 6  36 o 18.5969 5.7777  1.14855      3.74554  1.01745      2.63649  14.6191     246.007     1.73839     66.0072     
1 1 1 19 6  37 o 14.5739 4.81917 -0.242125    2.81197  -2.30975     2.57593  9.54481     274.902     0.633671    274.902     
1 1 1 19 6  38 o 31.5658 5.7068  9.26425      2.85485  5.58249      2.8664   37.4856     121.192     13.299      121.192     
1 1 1 19 6  39 o 40.6998 4.98501 9.17386      2.93838  13.7422      3.01913  29.1837     163.431     24.3061     343.431     
1 1 1 19 6  40 o 33.4364 5.8436  8.03565      2.98232  9.17293      3.00976  36.4687     198.376     7.36527     198.376     
1 1 1 19 6  41 o 18.0596 5.30062 3.23992      2.51193  0.225971     2.57374  17.3628     73.7881     8.65795     73.7881     
1 1 1 19 6  42 o 20.786  5.7785  3.13962      2.8927   3.75463      2.57576  18.4131     186.822     1.88359     6.82194     
1 1 1 19 6  43 o 26.3173 5.84738 5.32433      2.64649  6.507        2.6648   27.5374     15.5488     4.91694     15.5488     
1 1 1 19 6  44 o 13.6292 4.54885 -0.077284    2.42337  -1.90343     2.63847  9.04342     106.79      1.31702     286.79      
1 1 1 19 6  45 o 15.6302 4.90861 2.52893      2.4936   -1.11179     2.46037  7.8958      258.17      4.1742      258.17      
1 1 1 19 6  46 o 17.25   5.21038 2.76157      2.47078  1.31452      2.48517  11.0836     36.774      5.05474     36.774      
1 1 1 19 6  47 o 16.7063 5.16049 1.36846      2.54485  2.1264       2.4975   8.92488     200.686     0.866421    200.686     
1 1 1 19 6  48 o 15.1737 4.86381 -0.31754     2.4083   2.08206      2.56125  4.99315     329.023     1.20319     329.023     
1 1 1 19 6  49 o 15.2061 4.89577 1.47183      2.46208  1.12568      2.58832  11.2592     16.9493     1.84181     16.9493     
1 1 1 19 6  50 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 7  0  o 12.6133 5.79433 -0.11372     2.6946   -0.11372     2.6946   21.6723     90          57.0844     90          
1 1 1 19 7  1  o 35.801  5.41017 6.72972      2.87654  8.2504       2.91199  11.0851     256.728     47.0184     76.728      
1 1 1 19 7  2  o 15.4358 4.93605 -0.0242066   2.60183  -3.52987     2.61196  2.99915     311.489     11.0056     311.489     
1 1 1 19 7  3  o 86.964  2.93495 43.9223      3.80199  39.5335      4.01258  94.4203     235.593     5.54118     235.593     
1 1 1 19 7  4  o 16.8874 5.35448 -1.74715     2.58897  -0.45025     3.15155  3.91504     340.097     18.6936     340.097     
1 1 1 19 7  5  o 57.6845 4.2024  19.5227      3.20775  17.8912      4.0386   74.1614     330.623     34.5274     330.623     
1 1 1 19 7  6  o 101.676 2.91392 57.7687      4.36162  56.2205      4.73024  90.455      263.415     35.6802     83.4147     
1 1 1 19 7  7  o 34.3741 5.83925 5.16099      3.04037  8.88701      3.15389  6.78504     300.034     3.9376      300.034     
1 1 1 19 7  8  o 98.7007 2.81109 52.1021      4.31187  55.3298      4.20875  95.2554     340.435     19.4287     160.435     
1 1 1 19 7  9  o 47.3589 4.68743 8.57353      3.15207  17.8539      3.1291   46.8613     209.156     0.641978    29.1558     
1 1 1 19 7  10 o 27.8689 5.39746 0.709663     2.64552  7.92403      2.86757  9.71119     187.552     31.3667     7.55158     
1 1 1 19 7  11 f 22.5946 5.63066 4.00871      2.59808  0.816254     2.54004  39.839      283.971     0           0           
1 1 1 19 7  12 o 91.5297 2.75272 45.8877      4.00831  46.6646      3.72534  111.697     98.9372     29.6646     98.9372     
1 1 1 19 7  13 o 88.7235 3.05158 46.5788      4.38792  40.8611      3.92947  88.5412     50.8603     11.2995     230.86      
1 1 1 19 7  14 o 69.936  3.42581 28.6471      3.47435  26.0745      3.82357  73.0491     292.439     1.14772     112.439     
1 1 1 19 7  15 o 72.401  3.08672 29.4637      3.32388  28.9194      3.52137  77.4702     226.716     2.06365     226.716     
1 1 1 19 7  16 o 36.7005 5.07903 9.0563       2.95678  6.95264      2.58594  47.9233     317.194     27.2859     317.194     
1 1 1 19 7  17 o 55.2291 3.48666 14.2739      2.89631  20.3794      2.88462  68.9728     183.464     23.4181     183.464     
1 1 1 19 7  18 o 76.8832 2.85605 32.0854      3.35295  33.7393      3.38504  76.92       337.028     8.90846     157.028     
1 1 1 19 7  19 o 62.0846 3.23161 19.5453      3.06341  23.8678      3.04345  44.9994     95.5449     40.9134     275.545     
1 1 1 19 7  20 o 92.0287 2.61645 42.3377      3.69185  51.9951      3.67587  117.674     22.4902     40.7009     22.4902     
1 1 1 19 7  21 o 28.336  5.42268 5.78813      2.4416   4.02771      2.45719  15.7917     200.994     24.251      20.9936     
1 1 1 19 7  22 o 35.4397 4.96893 8.95669      2.5654   6.26615      2.65301  27.3859     117.992     16.8934     297.992     
1 1 1 19 7  23 o 24.3449 5.54052 3.77043      2.3792   3.32249      2.34284  18.1354     199.452     8.71863     19.4515     
1 1 1 19 7  24 o 17.7536 5.11145 1.63624      2.21478  0.172796     2.25037  7.71353     312.52      0.614821    312.52      
1 1 1 19 7  25 o 24.3161 5.80168 3.38332      2.35486  3.68587      2.80145  17.1799     245.546     11.8253     65.5456     
1 1 1 19 7  26 o 24.473  5.90766 5.08328      2.76916  1.75369      2.87022  6.22944     300.794     36.2071     120.794     
1 1 1 19 7  27 o 17.818  5.49311 -1.50243     3.10107  1.1668       2.74849  14.6374     70.1248     0.958203    70.1249     
1 1 1 19 7  28 o 49.6796 4.14473 14.5403      3.12825  14.7514      3.09055  47.4906     208.114     8.15979     28.1145     
1 1 1 19 7  29 o 24.517  5.7577  2.5749       2.36772  5.09881      2.79346  13.7182     325.263     20.3522     145.263     
1 1 1 19 7  30 o 39.7402 4.50126 11.7025      2.64759  7.82285      2.6023   37.8512     128.259     5.10004     308.259     
1 1 1 19 7  31 o 35.9621 4.94614 10.7317      2.59846  5.87837      2.64934  39.5623     63.954      7.63899     63.954      
1 1 1 19 7  32 f 17.2581 5.21014 -0.236741    2.70821  1.29801      2.29051  3.76482     308.425     0           0           
1 1 1 19 7  33 o 21.096  5.75605 3.23201      2.8792   1.95863      2.41984  18.1271     220.844     1.15555     220.844     
1 1 1 19 7  34 o 18.957  5.29684 3.75308      2.61809  -0.982216    2.41148  14.0773     284.858     3.80595     104.858     
1 1 1 19 7  35 o 15.7685 5.14861 -1.46311     2.86463  -0.289936    2.98897  9.6101      322.754     4.0756      142.754     
1 1 1 19 7  36 o 18.0319 5.49827 1.23809      2.79772  1.17984      2.75563  15.3911     93.4162     2.11628     93.4162     
1 1 1 19 7  37 o 18.5486 5.46844 0.534202     2.62573  2.78932      2.67818  13.4513     48.4017     7.08493     228.402     
1 1 1 19 7  38 o 24.8657 5.99998 6.43998      2.93045  3.10189      2.80545  17.4506     247.567     13.2524     67.5667     
1 1 1 19 7  39 o 19.4766 5.65889 2.71141      2.72269  2.10544      2.73409  16.517      186.515     8.60878     186.515     
1 1 1 19 7  40 o 17.674  5.16713 -1.31279     2.36545  3.85372      2.64974  13.9524     5.37747     7.5786      5.37747     
1 1 1 19 7  41 o 21.4213 5.46557 1.42754      2.4754   5.42392      2.53797  25.5498     318.509     15.3414     318.509     
1 1 1 19 7  42 o 43.1192 4.78103 18.1913      2.93428  8.69185      2.87681  49.1222     127.799     11.6145     127.799     
1 1 1 19 7  43 o 22.885  5.75542 3.91443      2.56345  5.17731      2.57984  23.0187     249.563     3.97395     249.563     
1 1 1 19 7  44 f 16.6535 5.19073 2.88673      2.80315  -0.0537018   2.45341  13.5697     80.4795     0           0           
1 1 1 19 7  45 o 12.9226 4.35289 -2.31032     2.43204  -0.214306    2.39527  7.1865      286.626     3.78721     106.626     
1 1 1 19 7  46 o 17.5533 5.10437 -1.30481     2.45375  4.58329      2.57845  13.007      69.1707     2.61199     69.1707     
1 1 1 19 7  47 o 15.2972 4.63101 3.84143      2.39278  -5.25051     2.43735  7.09361     300.329     0.0698754   300.329     
1 1 1 19 7  48 o 23.0425 5.81081 6.28147      2.63741  4.64618      2.64159  21.0007     0.579119    0.645567    0.579119    
1 1 1 19 7  49 o 11.7147 4.03828 -2.81588     2.35467  -0.916326    2.378    4.96154     172.26      0.390042    172.26      
1 1 1 19 8  0  o 79.4329 3.41315 34.995       4.13921  34.995       4.13921  93.4591     90          15.6907     90          
1 1 1 19 8  1  o 81.621  3.10989 39.6293      3.88835  34.1595      3.88331  46.022      273.219     80.9337     93.2193     
1 1 1 19 8  2  o 50.937  4.04947 17.2648      3.10026  12.1693      3.0578   37.8844     145.795     28.136      325.795     
1 1 1 19 8  3  o 42.621  4.79241 7.38277      2.95771  13.9384      2.91793  40.2386     41.2697     1.74318     221.27      
1 1 1 19 8  4  o 23.4995 5.80225 1.35649      2.68757  4.0636       2.67524  7.71884     132.611     10.3152     312.611     
1 1 1 19 8  5  o 50.9776 3.9424  12.9931      3.04684  16.3446      2.99452  67.917      126.247     39.4665     126.247     
1 1 1 19 8  6  o 77.3607 2.97705 29.4943      3.50453  36.9117      3.52869  97.4471     202.929     33.651      202.929     
1 1 1 19 8  7  o 60.0345 3.71907 23.5318      3.37134  17.074       3.35935  72.9377     15.9122     23.4649     15.9122     
1 1 1 19 8  8  o 66.0209 3.72186 26.486       3.87185  22.3837      3.62884  68.3343     234.129     0.77368     54.1284     
1 1 1 19 8  9  o 39.9104 5.40006 8.53831      2.95341  10.1982      3.44809  39.5659     357.018     2.2586      357.018     
1 1 1 19 8  10 o 104.166 2.63201 60.9191      4.06259  58.7917      4.35561  129.613     284.825     38.3192     284.825     
1 1 1 19 8  11 o 94.9665 2.66009 45.3041      3.85627  54.5121      3.88501  91.4238     3.09578     18.8591     183.096     
1 1 1 19 8  12 o 25.6836 5.89233 3.76233      2.7547   3.78446      2.57665  5.3708      184.725     37.9732     4.72456     
1 1 1 19 8  13 o 55.9068 3.79996 17.1897      3.23286  18.1293      3.22708  59.8423     107.996     3.59308     107.997     
1 1 1 19 8  14 o 98.354  2.76165 53.8409      4.20917  53.3618      4.13943  114.011     330.932     19.1161     330.932     
1 1 1 19 8  15 o 33.9552 5.19591 4.55165      2.56618  9.49375      2.78786  21.3724     154.542     25.7222     334.542     
1 1 1 19 8  16 o 27.0739 5.42712 2.58649      2.50293  6.07267      2.46924  17.5012     239.383     16.9608     59.3825     
1 1 1 19 8  17 o 45.3389 4.01573 13.214       2.73441  10.455       2.71433  59.623      178.257     28.0524     178.257     
1 1 1 19 8  18 o 21.6171 5.55122 2.83328      2.46698  1.98436      2.31917  15.7781     155.847     2.04751     155.847     
1 1 1 19 8  19 o 27.2437 5.40447 6.02481      2.4645   2.94069      2.42518  21.9439     114.361     7.61107     294.361     
1 1 1 19 8  20 o 16.6605 4.97595 -1.47605     2.27619  1.53675      2.32734  1.94896     334.054     23.8272     154.054     
1 1 1 19 8  21 o 56.5079 3.60332 19.0452      2.92122  17.4135      3.24694  58.5729     197.551     0.450867    17.5513     
1 1 1 19 8  22 o 58.89   3.49003 20.3638      2.95294  19.1457      3.29136  59.7216     254.015     3.33451     74.015      
1 1 1 19 8  23 o 32.5627 5.19076 8.20973      2.52977  4.90403      2.60792  13.4577     256.729     39.1412     76.7286     
1 1 1 19 8  24 o 18.2078 5.16369 0.174049     2.29251  1.9868       2.22821  7.32731     323.493     17.7125     143.493     
1 1 1 19 8  25 o 48.2799 3.80209 11.8675      2.76839  15.2896      2.73666  58.232      91.3166     16.9827     91.3166     
1 1 1 19 8  26 o 30.8005 5.24038 6.08003      2.47045  5.81454      2.44031  28.7202     269.831     4.33308     89.8311     
1 1 1 19 8  27 o 17.4327 5.09667 1.60871      2.27464  0.0803346    2.24749  13.5337     103.243     0.401224    103.243     
1 1 1 19 8  28 o 30.1837 5.83312 6.89001      2.82531  5.11388      2.79396  28.0414     231.083     3.23041     51.0835     
1 1 1 19 8  29 o 34.3565 5.64139 9.58179      3.05593  6.02147      2.85802  41.256      146.274     15.7895     146.274     
1 1 1 19 8  30 o 26.6585 5.98474 6.23988      2.87897  3.19314      2.83358  25.0101     172.058     0.0345685   172.058     
1 1 1 19 8  31 o 19.0214 5.26161 0.500813     2.33058  2.76065      2.30434  12.7484     137.489     6.52557     317.489     
1 1 1 19 8  32 o 21.4144 5.55759 2.13548      2.3659   3.4138       2.47422  19.397      150.365     4.42835     150.365     
1 1 1 19 8  33 o 23.3144 5.64122 4.15878      2.4154   3.06943      2.50391  20.3478     357.868     1.81499     177.868     
1 1 1 19 8  34 o 24.9094 6.16829 5.93626      3.04396  2.88062      3.00642  26.2529     354.679     17.083      354.679     
1 1 1 19 8  35 o 16.1327 5.14686 1.92999      2.99523  -3.32015     2.68532  9.4628      264.003     8.14615     84.003      
1 1 1 19 8  36 o 13.6388 4.50339 -1.86542     2.42336  -0.589845    2.28266  8.13486     113.468     4.31104     293.468     
1 1 1 19 8  37 o 13.5812 4.54047 -2.52238     2.58583  -0.87787     2.46927  3.90362     265.871     1.04986     265.871     
1 1 1 19 8  38 o 16.1137 5.09868 -1.10377     2.57653  1.55382      2.71794  2.46816     145.499     1.18532     145.499     
1 1 1 19 8  39 o 18.5446 5.45155 0.628686     2.58906  3.2332       2.6876   16.4326     300.419     2.32412     300.419     
1 1 1 19 8  40 o 16.7749 5.18538 1.04992      2.42005  1.37006      2.65711  14.2483     115.378     0.188756    115.378     
1 1 1 19 8  41 o 19.5451 5.51592 2.61447      2.47398  3.11907      2.5355   15.6405     264.734     4.89809     84.7336     
1 1 1 19 8  42 o 13.9576 4.54698 1.15594      2.32658  -2.59219     2.41941  9.7857      335.225     1.59269     155.225     
1 1 1 19 8  43 o 17.5364 5.20781 0.39789      2.48987  3.31539      2.4793   16.3257     318.909     5.99387     318.909     
1 1 1 19 8  44 o 13.9828 4.58855 -1.29696     2.35738  0.798191     2.42375  9.58666     33.0245     0.922992    33.0245     
1 1 1 19 8  45 o 15.9621 4.94271 2.88998      2.45153  -0.987886    2.48062  10.6709     307.528     2.28798     307.528     
1 1 1 19 8  46 o 13.5058 4.48141 -2.17673     2.41682  0.744728     2.40608  3.75796     39.461      3.14136     219.461     
1 1 1 19 8  47 o 13.3338 4.47273 -0.291353    2.48713  -0.892342    2.4561   2.87475     351.982     0.400921    171.982     
1 1 1 19 8  48 o 14.5307 4.75623 0.632008     2.54046  0.898682     2.4969   8.86153     282.146     5.15558     102.146     
1 1 1 19 8  49 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 9  0  o 23.0178 7.25423 4.29537      2.72574  4.29537      2.72574  8.12801     270         25.7091     90          
1 1 1 19 9  1  o 71.6564 3.11074 26.0221      3.41056  31.0413      3.39824  73.5764     318.162     2.53467     138.162     
1 1 1 19 9  2  o 51.6234 3.87908 17.202       3.04494  12.9552      2.97983  42.7493     155.659     20.1799     335.659     
1 1 1 19 9  3  o 74.2758 3.29119 32.9986      3.78118  28.4154      3.69858  76.5177     354.126     2.48089     174.126     
1 1 1 19 9  4  o 108.865 2.63039 67.537       4.57651  63.1334      4.23073  119.577     220.659     8.16505     220.659     
1 1 1 19 9  5  o 87.9724 2.84574 41.9847      3.96068  43.5826      3.71903  128.482     292.253     73.5171     292.253     
1 1 1 19 9  6  o 42.3689 4.54316 11.4974      2.89191  9.1944       2.82814  21.4159     138.238     43.4267     318.238     
1 1 1 19 9  7  f 56.9969 3.83495 17.3685      3.35385  19.2356      3.28391  14.8702     218.357     0           0           
1 1 1 19 9  8  o 21.3104 5.49901 -1.08967     2.72267  4.02498      2.60427  3.36574     304.629     0.508082    124.629     
1 1 1 19 9  9  o 80.3185 3.07564 34.9439      3.83522  36.7616      3.73908  82.2133     243.517     4.90996     63.517      
1 1 1 19 9  10 o 25.7529 5.87783 3.64433      2.78726  3.96198      2.53223  14.6563     110.829     80.5752     110.829     
1 1 1 19 9  11 o 70.3626 3.05212 29.8811      3.28951  25.3426      3.27538  83.6662     15.2006     19.8954     15.2006     
1 1 1 19 9  12 o 21.5929 5.29924 -1.92383     2.63889  4.80405      2.60213  9.2884      339.019     20.122      159.019     
1 1 1 19 9  13 o 37.7174 5.85055 6.95032      2.90623  10.4627      3.73159  36.5998     305.797     1.96605     125.797     
1 1 1 19 9  14 o 32.8671 5.50135 10.0434      2.81894  3.01452      3.09652  31.3838     20.8599     1.10721     200.86      
1 1 1 19 9  15 o 17.3384 5.12212 1.70423      2.35025  -1.56453     2.50095  6.01744     138.982     13.11       318.982     
1 1 1 19 9  16 o 40.4757 4.42615 8.4986       2.63728  10.6626      2.67928  41.9983     283.429     2.29567     283.429     
1 1 1 19 9  17 o 15.7004 4.76982 1.49534      2.27511  -3.34173     2.33881  4.49295     358.517     8.27191     178.517     
1 1 1 19 9  18 o 37.1692 5.05343 6.40969      2.60477  10.3876      2.97556  38.5552     336.142     3.19192     336.142     
1 1 1 19 9  19 f 29.7244 5.53375 5.05871      2.51168  5.84657      2.62762  34.77       190.432     0           0           
1 1 1 19 9  20 o 23.7221 5.53274 4.39194      2.39136  2.03827      2.46718  12.3485     341.468     19.9621     161.468     
1 1 1 19 9  21 o 29.9044 5.35508 5.62851      2.47772  5.41324      2.45904  30.142      17.7722     3.4333      17.7722     
1 1 1 19 9  22 o 30.4342 5.24052 7.1414       2.48554  4.35244      2.4519   37.4291     230.29      25.6101     230.29      
1 1 1 19 9  23 o 15.1357 4.73408 0.400416     2.21534  -1.43066     2.21478  0.944492    119.947     24.1661     299.947     
1 1 1 19 9  24 o 18.2176 5.20063 1.62334      2.27327  0.742034     2.25452  12.4088     52.3783     6.31378     232.378     
1 1 1 19 9  25 o 30.2364 5.33948 6.04869      2.47121  5.48222      2.48965  33.7968     212.035     8.15361     212.035     
1 1 1 19 9  26 o 16.5334 5.07477 -1.27584     2.78328  0.985859     2.19595  11.5474     244.404     0.0101499   64.398      
1 1 1 19 9  27 f 17.2067 5.07306 0.749575     2.23697  0.959635     2.23055  12.8296     162.645     0           0           
1 1 1 19 9  28 o 49.1154 3.73599 15.2621      2.80127  13.2226      2.75058  54.7613     63.2395     9.0175      63.2396     
1 1 1 19 9  29 o 16.742  5.05147 0.789709     2.32839  0.383441     2.271    0.629275    306.637     29.1058     126.637     
1 1 1 19 9  30 o 17.2756 5.31095 -0.869025    2.68828  1.33586      2.68333  10.1235     81.4913     6.21751     261.491     
1 1 1 19 9  31 o 28.6627 5.80088 2.83208      3.00136  8.21693      2.89748  27.4749     165.616     0.442345    165.616     
1 1 1 19 9  32 o 24.0829 6.43254 2.86297      3.30298  4.85373      3.31028  14.5464     29.2412     16.4002     209.241     
1 1 1 19 9  33 o 33.79   6.02824 7.99459      3.14985  8.3566       3.12385  35.8767     221.206     5.73782     221.206     
1 1 1 19 9  34 o 18.7838 5.43574 1.50458      2.45407  2.14436      2.55157  13.7716     286.145     5.33915     106.145     
1 1 1 19 9  35 o 33.1358 5.45386 10.7407      2.84372  5.17482      2.82301  33.1785     200.137     0.654941    200.137     
1 1 1 19 9  36 o 25.2717 6.1131  4.06117      3.1269   5.77979      2.75853  20.5929     212.329     7.43264     32.3291     
1 1 1 19 9  37 o 19.3596 6.14204 1.83098      2.89377  0.87164      4.98385  16.6066     100.708     0.894076    100.708     
1 1 1 19 9  38 f 13.2033 4.40652 -1.48962     2.41564  -1.16465     2.2701   13.9193     149.694     0           0           
1 1 1 19 9  39 o 20.1214 5.51305 4.72222      2.65273  0.703559     2.59967  21.4085     357.471     10.9011     357.471     
1 1 1 19 9  40 o 13.8186 4.5561  -2.6161      2.3576   0.710332     2.49158  8.06079     32.4497     3.57897     32.4497     
1 1 1 19 9  41 o 18.0072 5.1892  0.184199     2.40559  3.69074      2.43081  17.3882     270.459     9.32374     270.459     
1 1 1 19 9  42 o 14.1485 4.64003 0.18076      2.42937  -0.679223    2.4064   9.67477     248.777     1.59166     248.777     
1 1 1 19 9  43 o 18.2527 5.36834 1.51216      2.53782  3.42404      2.54104  17.2179     121.086     4.81554     121.086     
1 1 1 19 9  44 o 14.2541 4.66714 0.266301     2.40231  -0.222244    2.45782  8.83598     111.076     2.69906     291.076     
1 1 1 19 9  45 o 14.01   4.61212 -0.0550731   2.4146   -0.211116    2.42514  5.84274     129.18      3.66822     309.18      
1 1 1 19 9  46 o 18.0655 5.35737 1.59927      2.53737  3.59253      2.5776   11.0737     314.404     4.20467     314.404     
1 1 1 19 9  47 o 15.0282 4.81722 -0.539083    2.48212  2.40571      2.47896  8.30171     140.128     2.13868     140.128     
1 1 1 19 9  48 o 16.7438 5.15775 0.530943     2.63747  3.71307      2.57833  9.23462     321.731     5.92061     321.731     
1 1 1 19 10 0  o 98.6511 2.61659 53.5342      3.96219  53.5342      3.96219  109.726     270         8.52228     270         
1 1 1 19 10 1  o 24.9941 5.97618 3.73077      2.63946  3.15228      2.84646  14.5946     31.8916     2.33287     31.8915     
1 1 1 19 10 2  o 43.8898 4.44074 9.98107      2.90199  12.186       2.90249  41.8192     322.061     4.3835      142.061     
1 1 1 19 10 3  f 21.338  5.36978 4.31556      2.5738   -1.19505     2.56379  48.9002     310.923     0           0           
1 1 1 19 10 4  f 31.0262 5.61433 5.91192      2.67633  5.59769      2.71163  31.7821     52.3246     0           0           
1 1 1 19 10 5  o 78.6481 2.91858 34.6621      3.54028  33.9708      3.50433  74.6486     126.762     16.2284     306.762     
1 1 1 19 10 6  o 97.675  2.62286 56.2314      3.92991  49.311       3.93225  93.0377     102.623     20.6542     282.623     
1 1 1 19 10 7  o 71.0387 3.33028 26.2179      3.67348  30.2575      3.54401  94.612      135.89      41.4882     135.89      
1 1 1 19 10 8  o 38.529  5.7372  7.16686      3.36357  10.7494      3.23986  39.7557     54.5865     3.52873     54.5866     
1 1 1 19 10 9  f 20.2017 5.70761 0.356628     2.82919  2.18859      2.64497  24.1494     8.41706     0           0           
1 1 1 19 10 10 o 53.3948 3.94673 15.3209      3.37601  17.1335      2.95991  83.7579     268.132     62.6211     268.132     
1 1 1 19 10 11 o 63.3805 3.359   20.9425      3.37183  24.2326      3.09114  74.9803     103.557     18.0135     103.557     
1 1 1 19 10 12 o 44.2938 4.33952 11.9251      2.98917  10.782       2.77314  42.9302     63.8513     4.57433     243.851     
1 1 1 19 10 13 o 46.5894 4.61855 18.1503      3.04608  8.04952      2.99611  44.8577     118.518     5.77565     298.518     
1 1 1 19 10 14 o 20.344  5.78563 0.0407312    2.60648  2.66577      3.0505   0.871569    138.573     35.8497     318.573     
1 1 1 19 10 15 o 24.2198 6.12928 2.21241      2.44753  4.3613       3.3598   20.6719     61.4457     2.14707     61.4458     
1 1 1 19 10 16 o 19.0526 5.46873 1.03311      2.38965  1.32591      2.61953  7.66135     283.689     16.3996     103.689     
1 1 1 19 10 17 o 64.3713 3.24979 21.7689      3.15693  25.0577      3.23539  81.4663     162.722     29.479      162.722     
1 1 1 19 10 18 o 87.2792 2.82433 40.6813      3.62412  44.5741      3.94947  94.5593     21.1862     5.95773     21.1862     
1 1 1 19 10 19 o 17.517  5.14203 1.14933      2.32192  0.314222     2.25508  6.89901     16.1645     13.9941     196.164     
1 1 1 19 10 20 o 53.8908 3.51043 17.617       2.88377  15.5952      2.86808  63.7445     321.722     16.6938     321.722     
1 1 1 19 10 21 o 27.9265 5.26578 2.49411      2.48912  7.08064      2.46254  25.9344     177.937     1.45273     357.937     
1 1 1 19 10 22 o 24.3031 5.81833 3.93647      2.83404  3.19558      2.3474   20.7904     210.213     3.58067     30.2129     
1 1 1 19 10 23 o 34.8722 5.37891 6.55088      3.07372  8.65095      2.54889  40.6054     176.776     12.0075     176.776     
1 1 1 19 10 24 o 19.8214 5.43086 0.89189      2.35336  2.71655      2.46233  16.6161     200.514     1.83806     20.5139     
1 1 1 19 10 25 o 18.3151 5.3138  0.980462     2.55968  1.35354      2.24812  14.0951     311.568     1.72114     131.568     
1 1 1 19 10 26 o 21.3221 5.46557 3.09024      2.35228  2.15473      2.29494  17.6168     249.377     2.56563     69.3772     
1 1 1 19 10 27 o 18.6333 5.27158 1.01839      2.32794  1.97928      2.28864  13.5174     61.0961     2.03535     241.096     
1 1 1 19 10 28 o 14.5802 4.6519  -0.842346    2.25125  -0.350659    2.18461  5.42807     125.329     9.49967     305.329     
1 1 1 19 10 29 o 17.7638 5.16183 1.40855      2.2969   0.958497     2.2395   6.46023     326.473     18.2665     146.473     
1 1 1 19 10 30 o 18.8838 5.26419 2.8262       2.37772  0.428194     2.28336  13.131      213.622     4.54081     33.6216     
1 1 1 19 10 31 o 29.2728 6.14385 5.04238      2.85669  7.21787      3.12726  20.5669     157.907     15.9347     337.907     
1 1 1 19 10 32 o 29.8872 6.34475 3.97354      3.40909  9.28635      3.37109  32.5893     87.42       8.8659      87.42       
1 1 1 19 10 33 o 16.3169 5.24125 0.216234     2.83461  -0.719942    2.92137  11.393      192.392     0.0332043   192.392     
1 1 1 19 10 34 o 19.2773 5.76002 3.26987      2.97349  -0.261003    3.2089   16.6543     222.576     9.11208     222.576     
1 1 1 19 10 35 o 16.3333 5.09024 0.813503     2.46889  0.359571     2.52524  10.8155     134.263     5.21682     134.263     
1 1 1 19 10 36 o 24.1068 6.28557 3.57609      3.02061  5.69433      3.2027   24.9124     207.808     6.37721     207.808     
1 1 1 19 10 37 o 19.4524 5.34463 4.447        2.51432  -0.66219     2.74957  12.6561     267.472     9.95088     87.4717     
1 1 1 19 10 38 o 39.217  5.11706 9.71262      3.07667  12.2996      2.82251  37.4737     202.774     3.35266     22.7741     
1 1 1 19 10 39 o 18.8183 5.56295 2.61301      2.65295  2.15301      2.75008  17.3533     165.693     1.17636     165.693     
1 1 1 19 10 40 o 16.7186 5.17216 0.648219     2.47359  1.99815      2.61203  14.0669     124.189     0.0441877   304.187     
1 1 1 19 10 41 o 14.955  4.77526 -1.30715     2.41822  1.6741       2.41572  11.3587     332.133     1.00926     332.133     
1 1 1 19 10 42 o 22.3943 5.77454 4.05689      2.57379  4.92392      2.61472  21.3179     218.458     1.85469     218.458     
1 1 1 19 10 43 o 21.5768 5.25922 6.86357      2.57429  0.258315     2.573    19.7129     293.992     0.187297    293.991     
1 1 1 19 10 44 o 21.1598 5.7086  4.88403      2.62873  3.29726      2.60798  18.3077     218.372     0.862276    218.372     
1 1 1 19 10 45 o 16.4588 5.12165 1.56333      2.49713  1.75186      2.53415  9.5587      66.8708     0.967913    246.871     
1 1 1 19 10 46 o 13.6945 4.5546  1.10424      2.51156  -1.7658      2.50094  6.73222     241.018     3.01703     61.0179     
1 1 1 19 10 47 o 16.6101 5.13195 1.14789      2.55737  3.24714      2.52099  14.1452     106.406     5.34114     106.406     
1 1 1 19 10 48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 11 0  o 15.9138 6.51604 1.84509      2.59793  1.84509      2.59793  3.95212     90.0001     7.19572     270         
1 1 1 19 11 1  o 59.4337 3.60682 18.9994      3.15227  20.8064      3.38735  74.5587     162.456     26.6006     162.456     
1 1 1 19 11 2  o 93.0462 2.6869  46.6985      3.84201  49.1876      3.83928  114.849     253.604     33.9216     253.604     
1 1 1 19 11 3  o 43.5806 4.42609 9.60729      2.88682  12.4006      2.83042  37.87       224.532     13.2327     44.5315     
1 1 1 19 11 4  o 18.0128 5.31219 1.5258       2.53381  -0.668859    2.48465  6.50334     2.90053     13.2906     182.901     
1 1 1 19 11 5  f 21.5391 5.55105 3.70224      2.56068  0.412692     2.50551  30.0989     203.347     0           0           
1 1 1 19 11 6  o 44.0588 4.26033 11.5094      2.81448  10.8527      2.81273  53.7548     214.714     19.3339     214.714     
1 1 1 19 11 7  o 38.0135 5.3463  7.89871      2.80961  9.4047       3.23409  17.3684     25.4578     42.7553     205.458     
1 1 1 19 11 8  o 55.5008 3.87388 20.5888      3.26715  14.6829      3.19353  53.9326     13.8733     7.08929     193.873     
1 1 1 19 11 9  o 63.6356 3.46639 20.6633      3.35773  25.0664      3.35554  68.5481     159.461     4.7148      159.461     
1 1 1 19 11 10 o 21.3567 5.87975 2.78346      2.71088  0.735359     2.99829  12.0932     62.5978     11.6476     242.598     
1 1 1 19 11 11 o 78.9281 2.97646 32.8022      3.46004  36.824       3.75092  87.0243     83.6409     8.79652     83.6409     
1 1 1 19 11 12 o 21.5035 5.76585 -0.430775    3.13189  3.57211      2.61272  0.717985    189.359     39.0517     9.35909     
1 1 1 19 11 13 f 62.0897 3.66247 22.1535      3.6224   21.6616      3.3123   71.4307     79.0026     0           0           
1 1 1 19 11 14 o 52.8107 4.09425 17.0003      3.41826  15.1965      3.13386  47.0652     69.2192     14.9169     249.219     
1 1 1 19 11 15 o 29.6884 5.52471 5.21369      2.56027  5.652        2.56144  26.3254     328.419     3.94857     148.419     
1 1 1 19 11 16 o 30.7861 5.39874 5.95485      2.58806  5.7244       2.50571  22.9246     166.188     14.4111     346.188     
1 1 1 19 11 17 o 26.2395 5.63702 3.87732      2.50023  4.55414      2.46891  22.4071     197.708     3.44444     17.7083     
1 1 1 19 11 18 o 48.5949 3.89716 12.148       2.84564  15.2449      2.84517  48.1883     249.044     3.14794     69.0438     
1 1 1 19 11 19 o 26.6933 5.76383 2.85628      3.03476  5.61209      2.43806  29.2682     89.0778     14.3689     89.0778     
1 1 1 19 11 20 o 76.1575 2.966   29.9592      3.39032  35.5333      3.53013  79.7933     279.457     0.885356    279.458     
1 1 1 19 11 21 o 16.7908 5.0259  1.35982      2.27438  -0.801899    2.34888  11.2963     182.36      0.939918    2.35963     
1 1 1 19 11 22 o 37.8077 4.9298  9.1457       2.62061  8.36935      2.89242  41.0419     212.762     5.73127     212.762     
1 1 1 19 11 23 o 39.0099 4.54573 10.2452      2.63071  8.24598      2.61947  39.9184     202.279     0.802473    202.279     
1 1 1 19 11 24 o 76.1998 2.90145 32.7159      3.44895  33.24        3.33255  92.7886     174.152     27.6702     174.152     
1 1 1 19 11 25 o 15.918  4.89456 0.817033     2.2731   -0.688413    2.25961  8.42572     59.9634     6.66552     239.963     
1 1 1 19 11 26 o 17.3143 5.06389 1.93557      2.27829  -0.308961    2.26378  10.8346     52.5275     4.35527     232.527     
1 1 1 19 11 27 o 15.5277 4.83076 -0.442764    2.2583   0.355332     2.23283  7.55388     87.4895     5.25435     267.49      
1 1 1 19 11 28 o 19.9911 5.3848  1.42469      2.3462   2.83495      2.31716  8.57169     108.978     19.2571     288.978     
1 1 1 19 11 29 o 19.29   5.54817 1.13343      2.64425  2.21006      2.56557  14.4743     124.276     1.16564     304.276     
1 1 1 19 11 30 o 16.6354 5.14957 -0.124747    2.53184  0.818328     2.51613  8.63601     232.468     9.5455      52.4679     
1 1 1 19 11 31 o 28.535  5.53186 7.64584      2.53642  3.68211      2.80431  29.1844     264.899     4.23713     264.899     
1 1 1 19 11 32 o 22.0759 5.69612 4.35784      2.68405  2.31545      2.4169   22.471      141.451     7.37785     141.451     
1 1 1 19 11 33 o 25.933  5.94736 4.36506      2.72094  5.7709       2.75206  23.7203     171.984     1.99489     351.984     
1 1 1 19 11 34 o 17.6528 5.5754  1.45838      3.22793  0.0265359    2.96206  14.5194     218.315     6.73173     218.315     
1 1 1 19 11 35 o 16.675  5.35479 -2.3023      3.39849  1.52697      2.89619  11.6848     280.667     4.22438     280.667     
1 1 1 19 11 36 o 18.1861 5.72553 2.426        3.24319  -0.303059    3.3652   9.40601     154.232     13.5531     334.232     
1 1 1 19 11 37 o 19.3479 5.32845 4.2107       2.46915  0.361627     2.49505  9.18666     44.433      6.46794     44.433      
1 1 1 19 11 38 o 18.7783 5.39066 4.03183      2.57175  -0.077248    2.74896  14.7974     139.885     4.77043     319.885     
1 1 1 19 11 39 f 17.5259 5.36637 1.19696      2.6676   2.26269      2.68979  12.856      272.811     0           0           
1 1 1 19 11 40 o 15.0586 4.78388 2.54881      2.57327  -2.93616     2.40265  11.5233     247.738     2.47822     247.738     
1 1 1 19 11 41 o 12.4635 4.21    0.0315554    2.2982   -3.84825     2.38483  6.83783     6.64455     1.63262     186.645     
1 1 1 19 11 42 o 14.418  4.68681 1.192        2.40913  -1.21288     2.46292  8.62913     127.166     6.23693     307.166     
1 1 1 19 11 43 o 13.9766 4.61355 -0.00567332  2.42761  -0.407809    2.47128  5.7999      303.369     9.10512     123.369     
1 1 1 19 11 44 o 18.305  5.39094 1.15287      2.63545  3.96533      2.60229  10.1689     138.859     3.38517     138.859     
1 1 1 19 11 45 o 13.1119 4.40877 -0.862179    2.41813  -0.501529    2.44016  3.37122     126.43      0.798735    306.43      
1 1 1 19 11 46 o 16.4101 5.13092 1.51406      2.5632   2.73495      2.57363  13.222      173.631     3.28485     173.631     
1 1 1 19 11 47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 12 0  o 8.89939 4.43938 -2.75704     2.43014  -2.75704     2.43014  2.86025     270         8.81981     270         
1 1 1 19 12 1  o 97.8231 2.62754 54.6971      3.97013  51.4195      3.92978  122.208     14.4755     39.3458     14.4755     
1 1 1 19 12 2  o 64.3301 3.26261 23.1821      3.20472  23.2672      3.21631  68.0614     299.284     2.5707      299.284     
1 1 1 19 12 3  o 103.399 2.57487 62.6709      4.09992  55.8739      4.0775   104.286     356.707     8.7994      176.706     
1 1 1 19 12 4  o 33.8033 5.29609 8.91265      2.73755  4.99215      2.69112  41.3087     342.125     21.5604     342.125     
1 1 1 19 12 5  o 55.9375 3.66318 21.7536      3.09889  14.1213      3.02405  53.5091     341.072     8.52802     161.072     
1 1 1 19 12 6  o 30.901  5.98365 6.11591      2.68687  5.56856      3.20596  27.4377     89.3714     3.87935     269.371     
1 1 1 19 12 7  o 36.4893 5.53844 10.377       2.76978  5.85221      3.30342  24.6326     167.235     23.8995     347.235     
1 1 1 19 12 8  o 16.6666 5.25178 0.11382      2.6168   -1.87671     2.93548  5.54702     59.7166     9.32526     239.717     
1 1 1 19 12 9  o 24.2344 5.99424 3.23024      2.78881  3.36304      2.72666  18.85       303.017     4.0787      123.017     
1 1 1 19 12 10 f 23.4221 5.90246 3.78857      2.74428  2.13325      2.691    31.6117     346.537     0           0           
1 1 1 19 12 11 o 73.4726 2.99572 30.4585      3.38709  30.0487      3.36287  71.0581     352.176     10.9607     172.176     
1 1 1 19 12 12 o 42.9142 4.54986 11.064       3.03773  10.623       2.78846  35.1932     135.314     16.8367     315.314     
1 1 1 19 12 13 o 46.1971 4.40755 11.5747      3.07872  13.4638      3.00564  47.3237     57.6158     0.86545     57.6157     
1 1 1 19 12 14 o 62.4991 3.68413 22.0612      3.4246   22.5954      3.60153  68.921      56.1841     8.83776     56.1841     
1 1 1 19 12 15 o 22.7679 5.7103  4.83198      2.90808  0.610259     2.43364  19.3343     103.011     5.34759     103.011     
1 1 1 19 12 16 o 43.1041 4.88924 12.393       3.58632  9.96133      2.68475  25.4312     261.469     37.2078     81.4691     
1 1 1 19 12 17 o 16.3427 5.16201 0.0519314    2.71599  -1.37867     2.61824  7.7246      25.2191     4.26078     205.219     
1 1 1 19 12 18 o 20.1247 5.51501 1.66483      2.48849  2.06684      2.39708  16.4489     29.0596     2.66612     29.0596     
1 1 1 19 12 19 o 23.0579 5.05451 6.0226       2.48943  -0.967088    2.43054  21.9594     139.968     2.20929     139.968     
1 1 1 19 12 20 o 21.4792 5.53849 0.811863     2.41865  3.93723      2.57818  12.231      355.802     16.3649     175.802     
1 1 1 19 12 21 o 17.3301 5.10215 -0.377403    2.33703  1.67027      2.29527  13.098      52.6515     3.21357     52.6515     
1 1 1 19 12 22 o 63.8772 3.19546 24.608       3.14906  22.1907      3.09242  71.48       280.377     11.2812     280.377     
1 1 1 19 12 23 o 30.3437 5.40219 5.49277      2.51549  6.39391      2.53716  32.895      96.8738     7.73927     96.8738     
1 1 1 19 12 24 o 34.4536 5.14881 7.64181      2.62239  7.48774      2.66963  47.7911     294.153     35.4111     294.153     
1 1 1 19 12 25 o 28.0819 5.44728 3.08871      2.53221  7.2888       2.59814  28.1649     176.368     21.2824     176.368     
1 1 1 19 12 26 o 18.9495 5.37464 -0.0587308   2.41262  2.88278      2.56456  13.9948     334.892     0.958972    334.892     
1 1 1 19 12 27 f 22.6117 5.32734 5.1132       2.41682  0.938386     2.37105  31.5036     256.74      0           0           
1 1 1 19 12 28 o 35.2923 5.51143 8.03755      2.95564  8.60669      2.87586  24.2759     224.599     21.5953     44.5992     
1 1 1 19 12 29 o 29.4886 5.8297  4.62712      2.80474  7.64268      2.83469  19.8831     276.716     17.6975     96.7162     
1 1 1 19 12 30 o 15.9329 4.87003 -1.13446     2.31607  1.60554      2.25371  9.618       110.015     0.723656    110.015     
1 1 1 19 12 31 f 18.0569 5.26384 1.63404      2.38883  1.53363      2.34406  22.8817     226.422     0           0           
1 1 1 19 12 32 o 15.8067 4.99959 -0.537862    2.50542  0.790272     2.52144  8.89402     97.199      9.53599     277.199     
1 1 1 19 12 33 o 14.9404 4.82488 -1.1619      2.50528  0.298639     2.47889  9.615       225.14      4.7165      45.14       
1 1 1 19 12 34 o 15.9064 4.9473  -1.02048     2.42866  1.66823      2.41628  11.3207     133.796     1.65206     313.796     
1 1 1 19 12 35 o 26.7404 5.96798 8.18173      3.011    3.30564      2.92269  31.6926     290.647     16.1047     290.647     
1 1 1 19 12 36 o 19.9939 5.56985 5.78243      2.97764  -3.4543      3.41542  19.0632     312.803     3.6115      312.803     
1 1 1 19 12 37 o 20.2493 5.91887 1.67625      3.33422  4.19128      2.92821  15.1421     274.91      7.21871     94.9098     
1 1 1 19 12 38 o 24.3887 5.95288 1.67433      2.69509  8.82337      3.33157  29.5086     50.3058     16.4406     50.3058     
1 1 1 19 12 39 o 19.4508 5.63715 3.20096      2.586    2.77443      2.82796  17.8813     222.678     2.30052     222.678     
1 1 1 19 12 40 o 19.3259 5.33422 0.029577     2.56192  5.10998      2.59212  18.417      95.9456     3.98611     95.9456     
1 1 1 19 12 41 f 15.8551 5.02012 1.43298      2.53466  0.749393     2.52199  8.65665     149.638     0           0           
1 1 1 19 12 42 o 15.5516 5.03588 -0.532869    2.50155  2.02558      2.92658  9.49308     85.9421     0.344465    85.9421     
1 1 1 19 12 43 o 14.2739 4.70511 0.78197      2.40606  -1.39147     2.79576  3.75491     331.606     1.55197     151.606     
1 1 1 19 12 44 o 16.3498 5.06385 -0.140343    2.54182  3.15037      2.53972  5.17054     187.79      1.90175     187.79      
1 1 1 19 12 45 o 14.2657 4.75767 0.105272     2.50838  0.559603     2.91827  5.39267     249.072     1.65185     249.072     
1 1 1 19 12 46 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 13 0  o 39.7004 5.14068 9.64971      2.83146  9.64971      2.83146  32.1067     270         19.3554     90          
1 1 1 19 13 1  o 57.6541 3.70211 20.1189      3.11146  17.7458      3.3536   62.6327     238.617     6.90029     238.617     
1 1 1 19 13 2  o 21.4766 5.83526 1.59308      2.64959  2.60653      2.79589  8.6599      146.959     20.8613     326.959     
1 1 1 19 13 3  o 20.6675 5.73395 1.0927       2.57958  2.41477      2.77723  13.2517     327.306     0.12874     327.307     
1 1 1 19 13 4  o 23.4776 5.75358 4.66617      2.66054  0.899565     2.80196  18.7109     225.944     1.21659     45.9436     
1 1 1 19 13 5  o 77.6312 3.05042 34.9514      3.53632  32.6307      3.71519  77.4035     201.16      6.60649     21.1599     
1 1 1 19 13 6  o 27.7491 5.81797 5.29682      2.68287  4.13446      2.6717   28.7578     347.503     14.796      347.503     
1 1 1 19 13 7  o 73.1503 2.99148 28.994       3.3772   31.0244      3.3282   84.9119     237.261     18.392      237.261     
1 1 1 19 13 8  o 18.3061 5.46512 0.263007     2.65438  0.910468     2.64085  7.35724     82.2101     14.0915     262.21      
1 1 1 19 13 9  o 25.9253 6.00582 3.7963       2.78083  4.29657      2.75611  19.0875     96.3161     9.4734      276.316     
1 1 1 19 13 10 f 16.6286 5.0221  -3.82836     2.66061  1.8762       2.48416  19.2248     289.445     0           0           
1 1 1 19 13 11 o 54.2885 4.23706 21.7048      3.56017  13.0866      3.26859  60.9855     87.4332     11.2539     87.4332     
1 1 1 19 13 12 f 45.0096 4.68764 12.1743      3.45855  11.862       2.80663  40.2253     25.0251     0           0           
1 1 1 19 13 13 o 17.6373 5.37508 0.426964     2.70036  0.058178     2.60236  7.90611     12.9662     10.982      192.966     
1 1 1 19 13 14 o 40.7572 5.01343 11.1865      3.07336  8.95921      2.97915  35.6281     138.209     10.8256     318.209     
1 1 1 19 13 15 o 40.0299 5.03463 8.80308      3.07958  10.677       2.86633  24.3536     12.2241     32.5594     192.224     
1 1 1 19 13 16 o 18.6634 5.38063 1.62373      2.52242  0.730284     2.3676   9.79284     93.0437     3.96063     93.0437     
1 1 1 19 13 17 o 30.6837 5.49081 5.39865      2.60905  6.48241      2.59681  30.2971     149.751     0.759462    149.751     
1 1 1 19 13 18 o 36.4834 5.01605 9.2283       2.6602   7.21323      2.75947  25.3371     210.875     23.251      30.875      
1 1 1 19 13 19 o 64.2748 3.20492 22.3074      3.14536  24.9652      3.14951  88.0565     83.4387     44.3483     83.4387     
1 1 1 19 13 20 o 17.6363 5.26064 -0.238981    2.6432   1.44317      2.35205  12.3131     4.28457     3.40008     184.285     
1 1 1 19 13 21 o 21.5696 5.60327 1.42549      2.67124  3.58208      2.40223  16.6955     32.0202     5.06805     212.02      
1 1 1 19 13 22 o 17.1557 5.14441 0.734296     2.39644  0.663279     2.31976  6.34788     287.795     1.69263     287.795     
1 1 1 19 13 23 o 15.9602 4.79177 -2.33504     2.2756   1.90639      2.22926  7.40084     336.087     9.40927     156.087     
1 1 1 19 13 24 o 18.2327 5.15007 2.61647      2.2968   -0.217162    2.30512  4.46499     289.387     1.84605     289.387     
1 1 1 19 13 25 o 19.2537 5.28989 0.334666     2.41799  2.97876      2.30972  12.378      182.203     4.54799     182.203     
1 1 1 19 13 26 o 23.7603 5.92418 4.35486      2.71899  3.02861      2.7234   20.486      341.066     1.19525     161.066     
1 1 1 19 13 27 o 25.8243 6.03523 5.0799       2.84558  4.25484      2.74321  27.4223     132.881     17.4361     132.881     
1 1 1 19 13 28 o 16.303  4.98957 1.22766      2.30327  -0.319089    2.3734   10.1533     11.2339     2.59461     191.234     
1 1 1 19 13 29 o 16.8562 5.20079 2.01215      2.79498  -0.998855    2.39009  10.0014     222.039     7.90308     42.0389     
1 1 1 19 13 30 o 21.2214 5.76303 3.14529      2.56449  2.88165      2.73657  18.3921     195.303     1.10137     15.303      
1 1 1 19 13 31 o 14.9022 4.80541 -0.619886    2.35419  -0.0627941   2.52301  6.96846     76.3224     2.94907     76.3224     
1 1 1 19 13 32 o 17.9345 5.30281 1.18178      2.43813  1.99877      2.47772  13.5626     309.215     3.81325     129.215     
1 1 1 19 13 33 o 16.5243 5.02845 -0.794383    2.40181  2.2338       2.42726  10.5244     42.0065     4.10054     42.0065     
1 1 1 19 13 34 o 21.3244 5.82197 3.53889      2.88756  3.34671      2.54042  20.177      288.431     3.67976     288.431     
1 1 1 19 13 35 o 13.9739 4.67711 -1.87011     2.70654  -0.792203    2.65607  7.4586      2.52611     7.84951     182.526     
1 1 1 19 13 36 o 17.0908 5.20492 2.54506      2.46735  -0.106511    2.71921  16.4405     79.6105     6.35488     79.6105     
1 1 1 19 13 37 o 24.4693 5.86749 5.82322      2.69664  4.46077      2.60651  24.4701     31.4454     3.57257     31.4453     
1 1 1 19 13 38 o 18.653  5.71154 3.85486      3.07066  0.658155     3.19372  16.5641     150.305     8.8849      150.305     
1 1 1 19 13 39 o 18.1984 5.6766  1.8395       3.00363  2.76042      3.2103   14.4018     224.62      2.26258     44.6199     
1 1 1 19 13 40 o 17.8493 5.45916 2.5775       2.57322  1.95158      2.99446  13.2799     351.209     4.20857     171.209     
1 1 1 19 13 41 o 14.836  4.85714 1.06834      2.44393  -1.11568     2.98701  5.40795     186.03      0.996124    186.03      
1 1 1 19 13 42 o 14.3161 4.65894 -2.74518     2.50987  1.90472      2.49462  0.7612      331.791     0.17902     151.791     
1 1 1 19 13 43 o 15.673  5.00083 0.663972     2.578    1.72862      2.56366  4.4762      109.378     1.20752     109.378     
1 1 1 19 13 44 o 13.4656 4.50878 -1.25263     2.52339  0.674899     2.49809  0.900692    330.62      0.21977     330.62      
1 1 1 19 13 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 14 0  f 25.632  7.14904 5.19035      2.71109  5.19035      2.71109  25.1272     270         0           0           
1 1 1 19 14 1  o 75.3046 3.14169 34.9187      3.751    29.0932      3.49826  96.1868     352.16      37.3852     352.16      
1 1 1 19 14 2  o 64.9468 3.60231 22.8771      3.8286   25.2176      3.24696  77.8185     245.669     22.5553     245.669     
1 1 1 19 14 3  o 61.541  3.50176 22.1534      3.4264   20.9512      3.15425  75.2166     348.571     24.7354     348.571     
1 1 1 19 14 4  o 26.2533 5.88663 2.44113      2.72071  5.81063      2.84608  10.3065     116.863     29.7207     296.863     
1 1 1 19 14 5  f 26.0057 5.84566 4.39713      2.63568  3.8344       2.63618  32.1846     196.118     0           0           
1 1 1 19 14 6  o 91.9891 2.79745 50.1407      4.09247  44.5931      3.81555  85.6439     337.872     19.6046     157.872     
1 1 1 19 14 7  o 38.5267 5.40444 8.80519      3.35244  9.36542      2.81523  40.7177     91.4437     5.81159     91.4437     
1 1 1 19 14 8  o 33.4313 5.69325 5.6165       2.96071  8.37498      2.89202  41.8157     258.348     24.2243     258.348     
1 1 1 19 14 9  o 24.8    5.65734 0.890405     2.78674  5.82462      2.69593  23.9771     21.1841     9.31107     21.1841     
1 1 1 19 14 10 o 34.2081 5.5377  8.64723      3.06524  6.0115       2.66688  34.3377     236.815     2.31887     236.815     
1 1 1 19 14 11 o 17.8992 5.28142 -0.552808    2.5414   1.67463      2.44651  10.8169     28.486      1.57533     208.486     
1 1 1 19 14 12 o 55.7105 3.83018 18.8027      3.47857  17.1062      3.00819  41.2673     67.9817     31.853      247.982     
1 1 1 19 14 13 o 20.9979 5.82815 2.01569      2.80782  2.02975      2.69555  16.1681     258.855     7.82665     258.855     
1 1 1 19 14 14 o 24.3654 5.86916 3.35237      2.55499  3.84056      2.71956  7.60193     260.174     32.23       80.1744     
1 1 1 19 14 15 o 45.7638 4.37052 12.8633      3.18467  12.0621      2.81346  45.1538     159.847     2.72291     339.847     
1 1 1 19 14 16 o 21.7607 5.63182 3.03251      2.48382  2.25961      2.45901  8.65651     344.437     24.3351     164.437     
1 1 1 19 14 17 o 24.9473 5.61765 1.568        2.55084  6.00898      2.71143  10.9958     74.3213     26.5442     254.321     
1 1 1 19 14 18 o 29.747  5.41302 3.99785      2.56883  7.43902      2.56993  36.6454     123.701     18.8948     123.701     
1 1 1 19 14 19 o 46.1879 4.07961 14.6486      2.84108  10.9196      2.78046  55.4131     146.645     18.2829     146.645     
1 1 1 19 14 20 o 19.5564 5.3964  0.839947     2.37885  2.76741      2.42256  14.5428     288.269     2.3065      108.269     
1 1 1 19 14 21 f 16.8218 5.00799 -0.971398    2.33083  1.82621      2.29519  24.296      8.1441      0           0           
1 1 1 19 14 22 o 30.9088 5.41363 5.73667      2.60151  6.78287      2.53842  27.5495     1.80854     4.35287     181.809     
1 1 1 19 14 23 o 29.5286 5.51398 5.91807      2.54914  5.63194      2.53978  27.5927     233.701     0.674879    53.7009     
1 1 1 19 14 24 o 17.573  5.31074 -0.0487993   2.63718  1.4357       2.52425  11.037      326.724     1.25888     146.724     
1 1 1 19 14 25 o 20.6979 5.65524 0.82759      2.71539  3.69772      2.63918  17.6787     166.928     5.73209     166.928     
1 1 1 19 14 26 o 19.766  5.28921 4.88495      2.74859  -2.30734     2.55011  12.5927     117.816     6.64868     117.816     
1 1 1 19 14 27 o 25.8287 5.62065 3.5607       2.59375  5.82159      2.46547  23.085      218.779     1.93931     38.7794     
1 1 1 19 14 28 o 20.9091 5.36286 4.65678      2.46923  0.621517     2.39705  20.2377     309.785     11.1877     309.785     
1 1 1 19 14 29 o 18.7701 5.41277 1.90111      2.47325  2.0103       2.46346  17.4892     217.816     5.93169     217.816     
1 1 1 19 14 30 o 17.1505 5.15551 0.245266     2.47745  1.94928      2.37227  13.3691     282.96      2.05737     102.96      
1 1 1 19 14 31 o 18.5304 5.03022 4.54475      2.48038  -2.58352     2.48368  17.0879     214.317     5.64549     214.317     
1 1 1 19 14 32 o 23.694  5.89144 4.32664      2.62455  4.45231      2.70679  24.8471     158.472     8.78913     158.472     
1 1 1 19 14 33 o 14.8588 4.72549 1.60243      2.36823  -2.65384     2.48153  5.32031     46.9907     2.00524     46.9907     
1 1 1 19 14 34 o 18.6475 5.75778 -0.134172    2.8634   4.00385      3.47238  16.9871     178.29      2.78027     178.29      
1 1 1 19 14 35 o 18.0963 5.49855 2.16101      2.46332  1.71412      3.12245  15.7273     232.183     9.64412     232.183     
1 1 1 19 14 36 o 15.7314 5.01826 -1.0549      2.60177  1.90175      2.67483  12.9093     253.18      3.19304     253.18      
1 1 1 19 14 37 o 31.4709 5.9386  8.54784      2.94205  8.23699      2.92151  29.671      294.595     0.976537    114.595     
1 1 1 19 14 38 f 15.7327 4.99211 1.74916      2.52491  -0.0816633   2.56896  6.21069     115.257     0           0           
1 1 1 19 14 39 o 14.4512 4.7202  1.13845      2.49246  -1.29447     2.5199   8.99897     5.65923     2.32231     5.65923     
1 1 1 19 14 40 o 15.2145 5.02189 -0.786649    2.88753  1.12295      2.94249  7.49123     74.6363     0.480731    74.6363     
1 1 1 19 14 41 o 15.4982 5.07755 0.0471457    2.83742  1.10208      2.92567  5.64531     109.075     11.4169     289.075     
1 1 1 19 14 42 o 15.9345 5.13823 -0.197442    2.54038  2.80238      3.03264  6.17338     229.546     1.63983     229.546     
1 1 1 19 14 43 f 16.7573 5.21511 1.93421      2.5527   2.7801       2.6687   2.25062     200.951     0           0           
1 1 1 19 14 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 15 0  o 69.9469 3.17201 27.4201      3.38394  27.4201      3.38394  94.4759     270         43.5689     270         
1 1 1 19 15 1  o 32.6152 5.5054  7.79393      2.76055  5.48918      2.73028  38.1203     129.299     15.8186     129.299     
1 1 1 19 15 2  o 18.8824 5.49791 2.93579      2.97272  -1.89919     2.56206  11.9729     190.316     1.73587     10.3162     
1 1 1 19 15 3  o 38.2682 5.57509 9.79062      3.31802  8.39781      3.03754  43.7133     258.484     13.0382     258.484     
1 1 1 19 15 4  o 21.0226 5.70087 2.95853      2.66135  1.14684      2.5964   11.3558     61.1077     14.5422     241.108     
1 1 1 19 15 5  o 73.6841 3.18908 29.7445      3.47077  31.7292      3.73233  96.8066     147.964     42.8887     147.964     
1 1 1 19 15 6  o 35.9336 5.55573 8.14906      3.0401   7.93939      2.93658  26.8464     120.92      17.6419     300.92      
1 1 1 19 15 7  o 65.3442 3.40452 25.7858      3.54525  22.9587      3.26006  69.8311     115.69      5.88489     115.69      
1 1 1 19 15 8  o 35.7777 5.47797 10.1984      3.02112  5.9591       2.88688  33.3311     7.69341     3.93393     187.693     
1 1 1 19 15 9  o 23.0137 5.91893 2.44069      2.76275  3.47665      2.70146  18.2899     42.3437     5.04457     222.344     
1 1 1 19 15 10 o 17.4434 5.30626 0.596087     2.67178  0.0993418    2.47597  7.42677     124.005     15.6579     304.005     
1 1 1 19 15 11 o 38.4262 5.19165 8.40617      3.1034   9.86028      2.79294  52.6356     336.766     30.8711     336.766     
1 1 1 19 15 12 o 35.0752 5.4204  9.15219      3.00756  6.44104      2.70362  30.4674     118.823     8.89527     298.824     
1 1 1 19 15 13 o 29.8289 5.99062 5.99355      2.89113  5.61959      2.87081  24.3838     107.444     9.32403     287.444     
1 1 1 19 15 14 o 18.8435 5.47423 1.27823      2.4717   1.26761      2.62445  15.0248     257.36      4.65161     257.36      
1 1 1 19 15 15 o 23.6913 5.85613 2.60524      2.84217  4.1457       2.53476  24.6912     36.9406     11.3464     36.9406     
1 1 1 19 15 16 o 16.5463 5.01904 -1.40857     2.45775  1.48877      2.34093  9.17631     304.579     0.595768    304.579     
1 1 1 19 15 17 o 14.2715 4.64914 -1.37182     2.39396  -1.05457     2.33675  1.54147     186.451     19.6608     6.45062     
1 1 1 19 15 18 o 33.3351 5.23635 8.70215      2.65455  5.69574      2.61693  31.1736     285.616     2.30603     105.616     
1 1 1 19 15 19 o 20.3233 5.48033 3.13657      2.47934  1.22218      2.3785   12.4169     178.246     10.6132     358.246     
1 1 1 19 15 20 o 22.909  5.69687 4.03471      2.4999   2.46796      2.56795  13.1451     308.482     15.7813     128.482     
1 1 1 19 15 21 o 18.3214 5.29676 1.63674      2.38928  1.0787       2.36038  8.49982     93.8924     14.0224     273.892     
1 1 1 19 15 22 o 23.0209 5.89591 2.76788      2.77797  3.95234      2.6559   20.3818     229.294     1.78931     229.294     
1 1 1 19 15 23 f 18.5219 5.43679 0.110837     2.62675  2.36705      2.60312  7.71932     182.773     0           0           
1 1 1 19 15 24 o 38.8226 5.20972 8.84388      3.02462  11.1591      2.95918  36.5438     275.161     3.26607     95.1613     
1 1 1 19 15 25 o 20.36   5.44188 3.45791      2.39499  1.55162      2.38761  16.3402     254.531     2.03859     74.5313     
1 1 1 19 15 26 o 23.4786 5.6599  3.5539       2.47526  4.24731      2.44564  18.8089     42.239      5.65611     222.239     
1 1 1 19 15 27 o 26.3011 5.79061 5.30432      2.61145  4.93595      2.58195  32.0249     330.683     18.4883     330.683     
1 1 1 19 15 28 o 26.7719 5.95492 6.66441      2.92955  4.34284      2.59836  31.4746     358.892     14.1916     358.892     
1 1 1 19 15 29 o 25.1455 5.93145 5.79987      2.88132  3.96557      2.53088  21.5671     283.802     3.88325     103.802     
1 1 1 19 15 30 o 18.1761 5.21027 -2.06023     3.09254  3.49667      2.32952  15.1619     171.18      5.94076     171.18      
1 1 1 19 15 31 o 24.7357 5.48301 7.7028       2.74214  1.32141      2.69348  18.4588     293.192     9.45131     113.192     
1 1 1 19 15 32 o 15.7072 4.93931 -0.15502     2.46557  1.16992      2.38307  10.6331     286.726     4.39043     106.726     
1 1 1 19 15 33 o 17.9485 5.29044 4.18436      2.81063  -1.02034     2.42116  15.0836     34.9271     1.20208     214.927     
1 1 1 19 15 34 o 14.0312 4.68968 -1.09729     2.71427  -0.918248    2.62667  9.31313     280.409     3.45754     100.409     
1 1 1 19 15 35 o 22.6198 5.90342 4.5557       2.60012  4.44092      2.84767  24.7832     112.949     10.9336     112.949     
1 1 1 19 15 36 o 14.0833 4.60288 -2.44521     2.43531  1.23774      2.43411  1.51875     23.3977     0.640674    23.3977     
1 1 1 19 15 37 o 19.689  5.66212 2.38629      2.73638  4.19582      2.73304  19.4504     40.97       9.66058     40.97       
1 1 1 19 15 38 o 24.8982 6.17033 5.65311      2.68481  6.47273      3.17313  23.3551     51.3566     1.78582     51.3566     
1 1 1 19 15 39 o 14.4094 4.7435  0.248455     2.44687  -0.317871    2.68961  6.64829     217.908     3.95142     37.908      
1 1 1 19 15 40 o 12.6506 4.28864 -1.98607     2.38007  -0.692772    2.4267   2.54521     338.695     9.12089     158.695     
1 1 1 19 15 41 o 14.1521 4.64749 -1.90912     2.56658  1.64831      2.48441  6.5131      221.532     1.43485     41.5324     
1 1 1 19 15 42 o 15.1981 5.01494 2.46556      2.931    -0.919123    2.98036  9.83432     209.75      2.53213     209.75      
1 1 1 19 15 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 16 0  f 15.2234 6.40491 1.65989      2.62892  1.65989      2.62892  1.70433     270         0           0           
1 1 1 19 16 1  o 23.5718 5.85109 2.41381      2.68785  4.04367      2.64844  22.0606     161.832     14.1346     161.832     
1 1 1 19 16 2  o 19.6731 5.85795 1.27866      2.61169  0.698371     3.46872  10.3781     343.848     14.597      163.848     
1 1 1 19 16 3  o 23.099  5.4635  5.74406      2.6616   -1.61667     3.04846  23.5209     175.601     14.1542     175.601     
1 1 1 19 16 4  o 22.4953 5.85924 2.97435      2.6598   2.65915      2.68933  19.727      322.544     0.74702     142.544     
1 1 1 19 16 5  o 52.6525 3.8368  15.871       3.06101  16.417       3.071    66.1023     169.378     25.9478     169.378     
1 1 1 19 16 6  o 27.0982 5.81988 5.78647      2.72356  3.54771      2.65692  18.4617     161.24      15.5921     341.24      
1 1 1 19 16 7  o 16.4203 5.04829 -2.31063     2.52475  1.42284      2.51357  11.2629     227.999     1.06976     227.999     
1 1 1 19 16 8  o 24.5748 5.88034 1.92547      2.81506  5.24831      2.76178  23.2676     11.1207     1.64378     11.1207     
1 1 1 19 16 9  o 82.415  3.04654 39.7263      3.90424  37.5592      3.80154  79.8495     73.0752     8.9593      253.075     
1 1 1 19 16 10 o 23.3306 6.02492 3.84756      3.0404   2.64921      2.5972   17.7301     27.9367     7.29199     207.937     
1 1 1 19 16 11 f 16.2255 5.11324 0.695102     2.78119  -1.5699      2.43632  13.3849     224.937     0           0           
1 1 1 19 16 12 o 68.0759 3.473   26.4824      3.6392   27.2193      3.59165  84.5032     20.8519     31.0667     20.8519     
1 1 1 19 16 13 o 36.6124 5.58642 11.9215      3.24703  5.83683      2.96366  44.3439     143.58      18.7038     143.58      
1 1 1 19 16 14 o 24.2219 5.87988 2.04884      2.72029  5.23533      2.8072   23.4049     13.3219     5.79286     13.3219     
1 1 1 19 16 15 o 24.26   5.77875 4.38236      2.59021  3.19148      2.55628  7.32239     215.249     31.4704     35.2488     
1 1 1 19 16 16 o 25.2547 5.77842 3.34765      2.65027  4.97628      2.55939  10.7557     336.758     26.4247     156.758     
1 1 1 19 16 17 o 24.5704 5.47448 1.65026      2.54126  5.86095      2.51289  24.5323     169.079     7.57861     169.079     
1 1 1 19 16 18 o 21.252  5.50192 4.03705      2.49651  0.920683     2.47541  14.9976     3.53662     6.59907     183.537     
1 1 1 19 16 19 o 28.3619 5.62407 4.95688      2.58442  5.85083      2.54278  31.7012     166.088     13.5974     166.088     
1 1 1 19 16 20 o 27.2959 5.88454 6.97489      2.8717   3.2655       2.77509  30.892      77.7008     17.3975     77.7008     
1 1 1 19 16 21 o 28.9798 6.00011 4.92626      2.89679  6.93931      2.87685  29.4154     204         5.4876      204         
1 1 1 19 16 22 o 18.6781 5.44341 0.073379     2.70886  2.64902      2.55012  10.4621     118.61      4.59845     118.61      
1 1 1 19 16 23 o 13.1172 4.36486 -1.49684     2.31803  -1.62547     2.21295  4.38927     8.64381     2.94477     188.644     
1 1 1 19 16 24 o 47.48   4.05734 11.6936      2.83697  16.6215      2.87944  49.9268     82.2339     5.52817     82.2339     
1 1 1 19 16 25 o 19.3703 5.50433 1.73768      2.60617  2.60538      2.45213  16.8843     357.669     1.27882     357.669     
1 1 1 19 16 26 o 16.1333 4.85167 -3.98022     2.35875  3.11871      2.53873  13.1991     42.9555     2.58878     42.9555     
1 1 1 19 16 27 o 21.1027 5.62379 2.75911      2.55043  3.44675      2.4534   21.2617     97.8708     7.30914     97.8708     
1 1 1 19 16 28 o 14.2223 4.58479 0.701948     2.2848   -1.88974     2.26872  4.12117     218.469     0.953116    218.469     
1 1 1 19 16 29 o 13.339  4.40315 -0.586653    2.26066  -1.35315     2.20253  6.07732     296.419     2.85869     116.419     
1 1 1 19 16 30 o 18.4047 5.36284 0.979834     2.5428   2.95552      2.48518  10.9172     208.257     6.68458     208.257     
1 1 1 19 16 31 o 17.3701 5.44492 -0.544356    2.53177  3.14795      3.26721  15.4487     321.235     3.55066     321.235     
1 1 1 19 16 32 o 19.6642 5.65152 2.93316      2.83116  2.87762      2.53705  11.3184     40.9658     13.5794     220.966     
1 1 1 19 16 33 o 22.1874 6.09557 2.85364      3.49334  5.53593      2.88348  16.29       293.792     8.14354     113.792     
1 1 1 19 16 34 o 16.4699 5.1682  1.80694      2.55491  0.527144     2.73083  11.9669     279.375     3.05113     99.3749     
1 1 1 19 16 35 o 45.4134 4.6661  16.2346      3.33384  13.5493      3.00361  51.686      316.052     14.9856     316.052     
1 1 1 19 16 36 o 23.2075 5.62418 1.7229       2.83396  7.56704      2.77598  26.1706     87.2919     13.2979     87.2919     
1 1 1 19 16 37 o 15.0943 4.87266 2.0145       2.61998  -1.45374     2.57909  8.06039     316.506     6.84427     136.506     
1 1 1 19 16 38 o 15.3721 4.94533 1.05115      2.55378  0.464786     2.58556  6.57423     58.3241     8.8288      238.324     
1 1 1 19 16 39 o 14.6752 4.7566  1.41245      2.40969  -0.858638    2.57471  6.39086     136.157     5.56363     316.157     
1 1 1 19 16 40 o 12.3979 4.22384 -0.0114583   2.40593  -2.9679      2.45481  4.13306     46.5579     2.83709     226.558     
1 1 1 19 16 41 o 14.2036 4.68599 -0.425996    2.50624  1.30391      2.56129  8.67867     85.1147     1.96909     85.1147     
1 1 1 19 16 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 17 0  o 11.5413 5.42958 -0.433681    2.59166  -0.433681    2.59166  2.25981     270         5.88675     90          
1 1 1 19 17 1  o 17.5962 5.38772 -0.914048    2.62236  1.39107      2.83618  9.02734     281.699     11.5705     101.699     
1 1 1 19 17 2  o 21.3156 5.55623 -0.706421    2.83576  4.43364      2.63386  17.7894     358.917     0.981216    178.917     
1 1 1 19 17 3  o 68.2136 3.25794 28.9006      3.39304  24.6316      3.39186  79.704      351.531     21.4131     351.531     
1 1 1 19 17 4  o 34.317  5.43532 9.88933      2.88199  5.40449      2.80476  37.5075     176.01      9.11836     176.01      
1 1 1 19 17 5  o 28.169  5.81919 3.99592      2.76567  6.38032      2.7151   25.8929     332.884     0.955298    152.884     
1 1 1 19 17 6  o 33.4773 5.49449 7.76361      2.7841   6.70643      2.77771  22.8126     234.538     19.9203     54.5379     
1 1 1 19 17 7  o 20.9427 5.68903 3.64208      2.66569  0.410625     2.78856  17.9608     175.272     3.71865     175.272     
1 1 1 19 17 8  o 23.104  6.14738 2.63641      2.838    3.67778      3.11477  19.7756     108.603     10.8903     108.603     
1 1 1 19 17 9  o 35.1419 5.88155 6.46531      2.98456  10.0662      3.33581  34.1275     68.1582     0.598898    68.1579     
1 1 1 19 17 10 o 41.4925 4.64804 11.1335      2.89485  10.1278      2.84411  34.7839     230.468     12.5589     50.4681     
1 1 1 19 17 11 o 62.0116 3.61238 22.6725      3.62624  22.435       3.19491  76.1841     100.73      28.1759     100.73      
1 1 1 19 17 12 o 35.8201 5.67794 6.68069      3.12444  10.3509      3.03896  38.0979     246.124     7.68335     246.124     
1 1 1 19 17 13 o 44.2597 4.62694 9.95579      2.92384  14.4244      3.13818  52.3793     46.0628     18.222      46.0628     
1 1 1 19 17 14 o 25.2894 5.78243 3.18401      2.67115  5.18108      2.58151  14.2098     59.5064     18.7639     239.506     
1 1 1 19 17 15 o 21.2177 5.67759 1.97552      2.63342  3.12265      2.50794  15.1513     260.663     5.5565      80.6625     
1 1 1 19 17 16 o 51.8117 3.85879 14.5388      3.04827  17.647       2.97422  63.4061     267.481     24.4926     267.481     
1 1 1 19 17 17 o 15.1122 4.87554 -0.467331    2.66588  -0.989879    2.35236  5.14647     98.2591     11.9048     278.259     
1 1 1 19 17 18 o 32.8448 6.10805 9.37263      3.41265  6.02878      2.90056  40.1048     261.057     20.7704     261.057     
1 1 1 19 17 19 o 30.8858 5.66797 10.4522      3.13213  3.16885      2.83933  26.2573     34.9919     6.24705     214.992     
1 1 1 19 17 20 o 27.8433 6.14095 5.3962       3.06897  5.97332      2.79789  29.0744     202.619     7.92103     202.619     
1 1 1 19 17 21 o 27.933  5.56249 3.67646      2.69385  7.40018      2.57663  27.4942     4.33148     3.12148     4.33147     
1 1 1 19 17 22 o 25.5134 5.55595 2.83516      2.521    6.46874      2.56208  20.6899     232.202     6.29956     52.2025     
1 1 1 19 17 23 o 14.1421 4.56431 -2.51678     2.2834   0.734075     2.30047  7.5557      331.47      1.12964     331.47      
1 1 1 19 17 24 o 31.3866 5.56861 6.57523      2.73755  7.73282      2.65479  24.3239     165.386     12.1322     345.386     
1 1 1 19 17 25 o 24.5458 5.71087 5.5309       2.54869  3.47609      2.56523  27.1605     27.8054     11.3764     27.8054     
1 1 1 19 17 26 o 26.3011 5.72208 5.30913      2.58086  5.22529      2.50601  21.3825     249.541     6.36058     69.541      
1 1 1 19 17 27 o 16.8582 5.08955 1.99124      2.33012  0.25424      2.43881  12.3425     292.238     1.59637     292.238     
1 1 1 19 17 28 o 21.7282 5.68562 3.5088       2.57859  3.74728      2.47179  22.7747     30.6597     10.9516     30.6597     
1 1 1 19 17 29 o 16.067  4.95025 -0.653116    2.44569  2.06223      2.34232  5.51818     271.883     3.23785     271.883     
1 1 1 19 17 30 o 19.5935 5.57303 2.57575      2.55009  3.12956      2.6064   20.0236     170.47      7.51862     170.47      
1 1 1 19 17 31 o 11.0136 3.8229  -3.1276      2.22721  -2.96722     2.2298   4.33023     104.61      6.45513     284.61      
1 1 1 19 17 32 o 20.7902 5.47992 0.51029      2.90804  5.61024      2.55901  16.8165     290.234     3.51616     110.234     
1 1 1 19 17 33 o 18.8649 5.64461 2.56511      2.88141  2.88684      2.78379  16.2705     45.7735     1.26641     45.7735     
1 1 1 19 17 34 o 16.2534 5.12977 1.86707      2.58148  0.56679      2.69486  10.196      29.6803     4.97258     29.6803     
1 1 1 19 17 35 o 15.0963 4.80118 2.31433      2.49429  -1.59224     2.39744  4.81985     337.51      2.0205      337.51      
1 1 1 19 17 36 o 15.836  4.99755 -0.502348    2.59742  2.35688      2.53106  8.58264     115.667     0.576188    115.667     
1 1 1 19 17 37 f 27.5975 5.99471 5.14964      3.05742  9.30375      2.93348  20.4667     183.35      0           0           
1 1 1 19 17 38 o 16.0238 5.00122 -0.504665    2.52842  2.98302      2.53045  9.0132      68.6796     0.477752    68.6795     
1 1 1 19 17 39 o 15.0739 4.89873 1.3902       2.5907   0.801058     2.62252  9.53042     321.734     0.573501    141.734     
1 1 1 19 17 40 o 16.0263 5.06119 0.563471     2.5847   2.9444       2.60994  13.0684     255.391     5.09621     255.391     
1 1 1 19 17 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 18 0  o 14.2887 6.2373  1.26209      2.69502  1.26209      2.69502  5.98561     90          5.64869     270         
1 1 1 19 18 1  o 56.6899 3.73297 17.7967      3.20874  20.1485      3.22231  61.9914     131.629     11.0353     131.629     
1 1 1 19 18 2  o 21.4509 5.7506  1.26875      2.70221  3.68604      2.68578  11.6901     89.1774     6.52199     89.1774     
1 1 1 19 18 3  o 19.453  5.61235 1.84497      2.65864  1.37501      2.65739  8.89168     50.9067     15.8183     230.907     
1 1 1 19 18 4  o 44.6823 4.44745 12.1196      2.99074  12.3019      2.95965  52.5849     40.1327     17.9551     40.1327     
1 1 1 19 18 5  o 17.4063 5.2953  1.48491      2.6275   -0.654372    2.60141  5.23462     327.003     18.8571     147.003     
1 1 1 19 18 6  o 27.394  5.67415 1.80192      3.10021  7.58303      2.72546  30.1985     185.568     19.0867     185.568     
1 1 1 19 18 7  o 21.9683 6.05378 3.07504      3.0255   2.31365      2.88339  9.0708      53.1934     21.6278     233.193     
1 1 1 19 18 8  o 18.6334 5.57077 1.30787      2.783    0.82847      2.72366  11.482      24.4849     5.7313      204.485     
1 1 1 19 18 9  o 22.8572 5.60469 -0.267984    2.79874  5.69135      2.7801   20.1114     315.36      2.49684     315.36      
1 1 1 19 18 10 o 50.5734 3.94642 15.8657      3.06878  14.7583      2.97528  58.4946     98.3253     17.4113     98.3253     
1 1 1 19 18 11 o 35.6842 5.53374 8.44026      3.14606  8.35129      2.76704  30.2343     321.024     8.23895     141.024     
1 1 1 19 18 12 o 21.3763 5.74668 0.00168762   2.87597  4.46328      2.82432  16.2371     57.3283     2.86319     237.328     
1 1 1 19 18 13 o 19.2873 5.645   0.262414     2.56867  2.7952       2.98201  13.5        55.4481     2.39914     235.448     
1 1 1 19 18 14 o 41.5431 5.45975 14.1179      3.27608  8.97406      3.37801  40.4638     23.6204     0.110549    23.6194     
1 1 1 19 18 15 f 17.8237 5.38954 -0.184034    2.53192  1.96354      2.78621  22.2985     18.9128     0           0           
1 1 1 19 18 16 o 16.733  5.22125 -0.620361    2.69176  1.06418      2.63561  8.54325     314.233     9.18004     134.233     
1 1 1 19 18 17 o 29.2538 5.71029 9.03594      2.93114  3.21948      2.87379  18.7665     93.8458     18.2145     273.846     
1 1 1 19 18 18 o 19.7328 5.52247 -0.10198     2.74211  3.82948      2.6372   15.8591     24.3866     0.72172     204.387     
1 1 1 19 18 19 o 19.6293 5.40242 0.651119     2.4743   3.61999      2.46942  17.2901     47.958      8.04344     47.958      
1 1 1 19 18 20 o 16.3603 5.01256 1.60172      2.38439  -0.387413    2.36895  10.0613     352.262     4.11015     352.262     
1 1 1 19 18 21 o 22.29   5.75128 2.48774      2.7845   4.48256      2.52566  23.8039     276.889     9.94943     276.889     
1 1 1 19 18 22 o 20.0372 5.48764 1.69548      2.50844  3.43732      2.42687  19.3588     306.991     10.2787     306.991     
1 1 1 19 18 23 o 19.3219 5.54977 1.11116      2.87535  3.09161      2.48085  16.4949     303.418     1.24647     303.418     
1 1 1 19 18 24 o 27.6802 5.9314  5.74956      2.95942  6.21778      2.57931  32.1302     241.846     15.6391     241.846     
1 1 1 19 18 25 o 17.1958 5.22151 1.90079      2.65047  0.816473     2.31456  12.6088     100.697     3.7558      100.697     
1 1 1 19 18 26 o 21.7181 5.64504 2.8709       2.58932  4.30906      2.45862  21.7085     273.599     6.66553     273.599     
1 1 1 19 18 27 o 21.4864 5.66432 3.69979      2.55941  3.61085      2.4641   20.0341     59.7936     14.3999     59.7936     
1 1 1 19 18 28 o 27.731  5.65918 7.86363      2.67968  4.62817      2.59068  26.2445     254.616     0.363385    254.616     
1 1 1 19 18 29 o 16.2063 5.00244 2.63365      2.53397  -0.925335    2.38928  13.2026     251.145     5.62008     251.145     
1 1 1 19 18 30 o 16.572  5.14385 1.75437      2.53848  0.907228     2.52195  13.6224     301.933     4.54365     301.933     
1 1 1 19 18 31 o 25.6638 5.90949 4.31084      2.79107  7.39987      2.79092  25.1354     277.25      3.75716     277.25      
1 1 1 19 18 32 o 13.695  4.60309 -1.67398     2.68483  -0.355899    2.62451  7.33339     290.557     6.07477     110.557     
1 1 1 19 18 33 o 15.1284 4.86498 1.02855      2.36753  0.0910556    2.63693  4.83925     77.4884     16.2484     257.488     
1 1 1 19 18 34 o 31.8765 5.69842 7.45627      2.92006  9.9495       2.7696   37.8854     102.94      18.6617     102.94      
1 1 1 19 18 35 f 26.5744 5.85321 8.18574      2.77735  4.80685      2.77231  16.6208     297.868     0           0           
1 1 1 19 18 36 o 12.7327 4.32943 -1.45711     2.51345  -1.29909     2.46264  1.65924     336.849     1.45031     156.849     
1 1 1 19 18 37 o 18.1502 5.2283  -0.729966    2.56941  5.54526      2.6847   14.0666     169.306     0.977273    169.306     
1 1 1 19 18 38 o 12.492  4.24155 -1.89848     2.44538  -0.154354    2.33581  5.84874     36.1182     5.22703     216.118     
1 1 1 19 18 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 19 0  o 25.6251 7.31683 5.51262      2.81753  5.51262      2.81753  24.5577     90          2.02537     270         
1 1 1 19 19 1  o 28.993  5.97753 5.4436       2.82597  6.07645      2.84476  22.2709     212.492     9.32066     32.4925     
1 1 1 19 19 2  o 38.7053 5.31444 7.15467      2.87878  12.6284      3.23148  31.3984     86.4484     12.1518     266.448     
1 1 1 19 19 3  o 47.5153 4.41335 15.7672      3.09121  12.0818      3.1369   53.6459     359.543     14.7041     359.543     
1 1 1 19 19 4  o 29.9068 5.59533 9.12382      2.82772  2.85398      2.98287  28.5877     167.785     2.17358     167.785     
1 1 1 19 19 5  o 38.4565 5.14719 9.59925      2.95439  9.50089      2.91864  37.4881     295.764     1.06481     295.764     
1 1 1 19 19 6  o 23.5355 5.86914 2.47647      2.73952  4.64927      2.69204  13.5377     174.482     15.4505     354.482     
1 1 1 19 19 7  o 42.0839 4.70781 10.1995      2.94143  12.1749      2.93594  43.8156     118.791     6.14339     118.791     
1 1 1 19 19 8  o 16.5682 5.2225  0.405688     2.73102  -0.487272    2.6804   8.94761     289.804     2.41414     109.804     
1 1 1 19 19 9  o 20.239  5.84835 2.53582      3.04575  1.6113       2.7318   15.6611     175.503     4.69511     175.503     
1 1 1 19 19 10 o 23.7037 5.80715 5.07946      2.69987  2.4173       2.64309  19.3058     135.132     3.0105      315.132     
1 1 1 19 19 11 o 15.9661 5.06344 1.58198      2.85333  -2.71339     2.48894  6.1939      85.5421     0.616326    85.5421     
1 1 1 19 19 12 f 27.8442 6.08022 3.93551      3.03126  7.27652      2.95217  36.7542     117.288     0           0           
1 1 1 19 19 13 o 39.9733 5.35477 11.8563      3.15414  9.80601      3.18531  41.9971     158.703     7.04212     158.703     
1 1 1 19 19 14 o 30.2979 5.87712 4.29663      3.02076  9.13777      2.97836  24.006      65.0902     9.26371     245.09      
1 1 1 19 19 15 o 30.3174 6.19092 7.73813      3.02936  6.10664      3.1317   35.2599     108.222     15.7643     108.222     
1 1 1 19 19 16 o 22.4389 5.65221 6.07107      2.86097  0.226748     2.74221  23.4767     136.41      11.2087     136.41      
1 1 1 19 19 17 o 35.5716 5.21417 10.6625      2.74653  6.99612      2.78805  36.4915     74.7504     4.68284     74.7504     
1 1 1 19 19 18 o 20.065  5.18051 -0.633716    2.45688  4.80687      2.419    14.824      187.881     6.33121     7.88054     
1 1 1 19 19 19 o 17.462  5.16686 2.64325      2.39006  -0.519872    2.55319  8.39026     141.509     4.83532     141.509     
1 1 1 19 19 20 o 16.1166 4.99404 2.01284      2.39386  -2.18254     2.76453  8.57062     80.8055     3.4728      80.8055     
1 1 1 19 19 21 o 21.6966 5.83352 1.53435      2.55304  5.33885      3.02636  20.5967     168.912     5.41561     168.912     
1 1 1 19 19 22 o 33.2691 5.48583 10.1907      2.69277  6.29151      2.95468  34.343      103.592     6.21324     103.592     
1 1 1 19 19 23 o 16.5875 5.03855 0.297169     2.38248  1.849        2.32003  12.4711     342.896     2.41906     342.896     
1 1 1 19 19 24 o 16.172  4.84293 -1.45287     2.32407  2.67499      2.24889  5.07629     230.075     18.4615     50.0747     
1 1 1 19 19 25 o 15.426  4.80884 2.19651      2.41365  -1.63296     2.2801   8.78515     93.3747     8.83389     273.375     
1 1 1 19 19 26 o 12.197  4.12345 -0.781593    2.21855  -2.72229     2.17888  6.99198     88.6053     1.45266     268.605     
1 1 1 19 19 27 o 17.8541 5.24835 1.55548      2.42948  2.57419      2.3685   14.2654     116.975     1.57069     296.975     
1 1 1 19 19 28 f 15.3249 4.85663 0.569446     2.3677   0.805043     2.36974  11.7807     125.688     0           0           
1 1 1 19 19 29 o 14.9603 4.79643 1.3228       2.43513  -0.673796    2.40881  8.44509     16.174      7.21076     196.174     
1 1 1 19 19 30 o 22.0041 5.8349  6.33101      2.95655  2.5491       2.58086  21.4985     259.077     5.51605     259.077     
1 1 1 19 19 31 o 13.2114 4.43208 -1.2693      2.62159  -0.623568    2.25188  1.85508     332.006     0.51319     332.006     
1 1 1 19 19 32 o 18.1961 5.53121 3.97552      2.86555  0.759372     2.95458  13.1791     264.806     1.73949     84.8057     
1 1 1 19 19 33 o 31.1607 5.80998 8.10486      2.88998  8.71925      2.77708  35.4126     95.9045     16.6038     95.9045     
1 1 1 19 19 34 o 18.1244 5.41532 2.95917      2.61956  2.36757      2.58158  8.0497      82.413      2.92419     82.413      
1 1 1 19 19 35 o 18.4902 5.37807 0.802352     2.79113  4.73954      2.58073  13.9791     96.7251     4.38117     96.7251     
1 1 1 19 19 36 o 15.7863 5.01886 1.16543      2.55909  2.19491      2.56365  9.83426     349.644     4.63553     169.644     
1 1 1 19 19 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 19 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 20 0  o 25.8064 7.32092 5.70567      2.82644  5.70567      2.82644  33.5217     270         20.5517     270         
1 1 1 19 20 1  o 37.5793 5.32364 6.6933       2.95836  12.6041      2.99262  42.0989     176.32      13.1955     176.32      
1 1 1 19 20 2  o 48.7808 4.22181 13.9903      3.0913   15.6287      3.10905  64.0146     308.575     34.1123     308.575     
1 1 1 19 20 3  o 19.7882 5.75632 2.41159      2.94154  1.59118      2.70469  15.6083     70.1636     3.86663     70.1636     
1 1 1 19 20 4  o 44.2543 4.80676 12.5585      3.03128  12.7794      3.30349  43.5623     294.479     1.33488     294.479     
1 1 1 19 20 5  o 18.6669 5.5882  0.56089      2.68498  2.22105      2.90059  13.4144     97.0858     3.2676      97.0858     
1 1 1 19 20 6  f 18.4684 5.46044 0.415043     2.60861  2.39048      2.67393  2.37359     347.183     0           0           
1 1 1 19 20 7  o 40.5171 5.2123  11.422       3.32358  10.6306      2.93755  40.8856     295.504     3.86381     295.503     
1 1 1 19 20 8  o 17.7461 5.43173 1.51198      2.76699  0.396107     2.71693  12.743      174.083     1.42322     174.083     
1 1 1 19 20 9  o 17.2375 5.2835  2.36383      2.74799  -1.59602     2.7183   11.8008     149.53      2.6576      149.53      
1 1 1 19 20 10 o 14.035  4.62609 -2.93029     2.51445  -0.0454421   2.48833  5.50427     289.838     9.99128     109.838     
1 1 1 19 20 11 o 15.5823 5.12629 -1.04813     3.26106  -0.847205    2.69019  9.64518     200.096     2.90793     20.0963     
1 1 1 19 20 12 o 17.8374 5.6673  1.18258      3.30614  -0.126393    3.20533  8.20052     154.853     4.40063     154.853     
1 1 1 19 20 13 o 28.6197 6.36631 5.00785      2.94642  8.07732      3.38601  21.9168     196.802     9.89556     16.802      
1 1 1 19 20 14 o 13.0887 4.41437 -2.84025     2.37769  -1.21671     2.56062  4.81702     36.1411     10.9368     216.141     
1 1 1 19 20 15 o 30.3544 5.59557 5.56566      2.67435  7.99353      2.68308  27.571      107.538     2.02203     287.538     
1 1 1 19 20 16 o 19.4095 5.41085 0.804973     2.4848   3.61386      2.49329  17.7132     24.5509     5.4585      24.5509     
1 1 1 19 20 17 o 18.18   5.34422 0.924318     2.482    2.49806      2.51517  9.72973     128.134     5.37906     128.134     
1 1 1 19 20 18 o 18.7966 5.51821 1.3343       2.8589   2.59817      2.4913   7.61454     252.954     4.44029     252.954     
1 1 1 19 20 19 o 24.4052 5.65396 6.63564      2.68548  2.49256      2.58376  16.8993     358.37      10.6893     178.37      
1 1 1 19 20 20 o 18.4598 5.36439 2.85959      2.57897  1.30099      2.34758  12.8691     322.233     5.335       142.233     
1 1 1 19 20 21 o 16.6354 5.06983 2.10961      2.47878  0.195187     2.29452  12.7938     54.7468     4.97809     54.7468     
1 1 1 19 20 22 o 15.0333 4.78521 1.17069      2.44243  -0.663452    2.24456  10.3129     24.2168     4.11489     24.2168     
1 1 1 19 20 23 o 16.1868 5.02504 1.64007      2.51933  0.413209     2.30649  13.5886     296.374     5.85961     296.374     
1 1 1 19 20 24 o 20.4213 5.5761  3.89504      2.59433  2.75342      2.3904   18.2668     316.498     1.17763     316.498     
1 1 1 19 20 25 o 14.6647 4.61465 -2.28091     2.3728   1.92645      2.19501  8.98987     117.651     3.21939     117.651     
1 1 1 19 20 26 o 18.0466 5.29354 1.53153      2.4854   2.94325      2.41188  14.4355     173.712     7.78764     173.712     
1 1 1 19 20 27 f 16.4329 5.08095 1.86633      2.47495  0.931622     2.42081  10.202      178.006     0           0           
1 1 1 19 20 28 o 15.4728 4.95251 -2.42504     2.45314  3.00237      2.83748  11.012      152.747     2.68414     152.747     
1 1 1 19 20 29 o 15.2631 5.02029 0.683095     2.90929  -0.134225    2.80518  10.1801     330.422     1.15532     150.422     
1 1 1 19 20 30 o 18.6764 5.38579 3.33632      2.48752  2.37431      2.41745  14.2091     159.853     0.0328722   339.853     
1 1 1 19 20 31 o 17.9738 5.4554  3.59011      2.82495  1.19352      2.6802   11.1224     274.463     1.36947     274.463     
1 1 1 19 20 32 o 13.3854 4.45268 0.455093     2.36031  -1.79927     2.42598  3.25122     107.826     3.09518     287.826     
1 1 1 19 20 33 o 13.5864 4.45062 -1.50903     2.39224  1.10279      2.18613  4.72428     291.437     8.83652     111.437     
1 1 1 19 20 34 o 16.8351 5.15588 1.97695      2.56737  2.75449      2.3979   10.2956     153.961     6.39052     333.961     
1 1 1 19 20 35 f 14.4557 4.8393  -0.228831    2.44649  1.18484      3.20359  8.13532     133.453     0           0           
1 1 1 19 20 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 21 0  o 29.2144 7.1311  6.90779      2.88949  6.90779      2.88949  35.036      270         12.3136     270         
1 1 1 19 21 1  o 26.8059 5.98399 6.9628       2.86964  3.85511      2.86289  22.8683     245.043     3.4431      65.0427     
1 1 1 19 21 2  o 20.3253 5.77022 2.03064      2.77946  3.08395      2.76334  16.9566     149.306     0.18979     329.306     
1 1 1 19 21 3  o 23.6544 6.0016  3.77699      2.79002  4.5275       2.78375  23.7623     291.978     7.00521     291.978     
1 1 1 19 21 4  o 49.2081 4.23623 15.7145      3.15314  15.1915      3.13407  57.5435     146.542     19.8188     146.542     
1 1 1 19 21 5  o 15.8234 5.03233 1.17827      2.61736  -1.54139     2.65229  10.7834     247.189     2.0693      67.1889     
1 1 1 19 21 6  o 28.3115 5.98021 5.69128      2.83243  6.49685      2.79633  33.8911     198.707     17.9391     198.707     
1 1 1 19 21 7  o 15.9935 5.07751 0.100288     2.61914  0.256063     2.58394  7.74125     274.707     3.69346     274.707     
1 1 1 19 21 8  o 17.8294 5.42232 3.44448      2.98288  -2.71721     2.94907  14.4701     122.186     0.754892    122.186     
1 1 1 19 21 9  o 22.6897 6.20973 4.72623      3.17117  2.94021      3.06404  21.0547     302.486     2.97928     302.486     
1 1 1 19 21 10 o 28.339  6.24462 5.61857      3.07707  7.0844       3.01293  19.8625     291.267     13.1793     111.267     
1 1 1 19 21 11 o 21.791  6.16077 3.43267      3.42605  3.41969      2.85971  21.164      163.352     7.59885     163.352     
1 1 1 19 21 12 o 21.124  5.97748 2.27211      3.02141  3.88418      2.94969  19.7205     319.67      5.9944      319.67      
1 1 1 19 21 13 o 23.4102 6.26656 2.99845      2.94714  5.73152      3.32969  15.5278     234.491     10.9076     54.4905     
1 1 1 19 21 14 o 15.4079 4.91384 -0.0248452   2.4533   0.2931       2.48291  3.69965     66.4931     1.14228     66.4931     
1 1 1 19 21 15 o 18.0296 5.32009 0.673728     2.53449  2.7081       2.49879  14.0041     19.1762     1.83303     19.1762     
1 1 1 19 21 16 o 20.4514 5.68897 4.01587      2.77337  2.01687      2.54026  14.7166     269.391     5.86933     89.3906     
1 1 1 19 21 17 o 13.4986 4.46012 -4.26664     2.59336  0.607402     2.32971  7.26471     183.154     1.0071      3.15389     
1 1 1 19 21 18 o 19.9448 6.15979 6.18525      4.43756  0.268301     2.51875  18.5331     25.2768     5.50771     25.2768     
1 1 1 19 21 19 o 24.0988 5.805   6.68599      2.77679  2.84277      2.71534  24.431      176.643     5.96363     176.643     
1 1 1 19 21 20 o 14.2314 4.66557 -0.856697    2.45369  -2.78596e-05 2.43254  9.23586     198.26      3.1426      198.26      
1 1 1 19 21 21 o 14.1313 4.53886 1.40962      2.25069  -2.3404      2.28975  9.16048     197.478     3.00527     17.4778     
1 1 1 19 21 22 o 20.6404 5.37343 1.01698      2.42551  5.38573      2.51953  20.9235     48.495      12.8348     48.495      
1 1 1 19 21 23 o 17.7858 5.17321 0.344625     2.35037  3.60119      2.44629  14.1466     332.644     0.483786    152.644     
1 1 1 19 21 24 o 19.5072 5.45928 2.50961      2.36812  3.60147      2.51211  18.4815     129.792     7.04926     129.792     
1 1 1 19 21 25 o 16.9618 5.13712 2.91494      2.42063  0.242053     2.57945  9.2783      65.7185     10.1654     245.718     
1 1 1 19 21 26 o 14.8606 4.88727 0.615469     2.3072   -0.754353    3.25001  8.35393     201.324     2.66367     201.324     
1 1 1 19 21 27 o 20.9995 5.69003 5.43078      2.52817  1.80712      3.37362  16.768      239.862     1.82031     59.8622     
1 1 1 19 21 28 o 14.1088 4.77087 -2.16452     2.2948   1.08697      3.2896   4.97756     212.747     1.66801     32.7474     
1 1 1 19 21 29 o 12.9494 4.30378 -0.750018    2.25777  -0.466215    2.13036  2.35836     17.5692     3.97409     197.569     
1 1 1 19 21 30 o 17.3289 4.83403 -2.87076     2.67549  4.54682      2.25187  2.69633     90.4771     1.08593     90.4771     
1 1 1 19 21 31 o 11.5174 3.94253 -0.00199156  2.23145  -3.82676     2.07178  1.34365     260.375     1.69351     80.3752     
1 1 1 19 21 32 o 15.4081 5.01238 1.47325      2.40788  1.06604      3.14251  8.73583     292.562     2.32859     292.562     
1 1 1 19 21 33 o 18.9643 5.70811 4.31496      2.62737  3.23601      3.54697  17.7976     299.202     7.52071     299.202     
1 1 1 19 21 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 22 0  o 17.1204 6.82488 2.97192      2.74356  2.97192      2.74356  8.67628     89.9998     4.57402     89.9998     
1 1 1 19 22 1  o 25.3683 6.07774 5.39345      2.84113  4.75182      2.82172  17.9252     169.693     10.2042     349.693     
1 1 1 19 22 2  o 15.0817 4.89899 0.380884     2.63972  -1.41337     2.6016   8.42798     350.973     0.711661    350.973     
1 1 1 19 22 3  o 15.9674 5.08447 0.598287     2.66043  -0.184217    2.60804  4.23454     110.465     1.71372     110.465     
1 1 1 19 22 4  o 25.0929 6.02183 3.39599      3.01428  6.36649      2.81715  25.2714     13.0422     7.42052     13.0422     
1 1 1 19 22 5  o 26.6647 6.48554 4.08307      3.11281  7.8863       3.4974   23.751      357.485     0.0135552   177.485     
1 1 1 19 22 6  o 14.704  4.89373 -0.323723    2.95727  -2.20969     2.74749  7.10307     138.298     0.0479832   318.298     
1 1 1 19 22 7  o 16.0499 5.16103 0.000445765  2.81867  0.208958     2.76355  10.0363     131.31      1.2414      311.31      
1 1 1 19 22 8  f 16.807  5.44186 -0.0625061   2.95061  0.504923     3.37674  5.89237     33.0137     0           0           
1 1 1 19 22 9  o 18.0663 5.41838 0.1251       2.71009  2.91841      2.70051  10.6838     113.266     5.04789     113.266     
1 1 1 19 22 10 o 20.582  5.86712 4.2497       3.12081  1.93266      2.63185  16.1704     284.591     9.47908     284.591     
1 1 1 19 22 11 f 18.8988 5.62537 2.35232      2.96384  2.03648      2.60754  10.6904     227.151     0           0           
1 1 1 19 22 12 o 36.2101 5.66813 11.6138      2.85972  8.36291      3.34878  39.0142     255.055     10.4517     255.055     
1 1 1 19 22 13 o 16.4584 5.22242 1.14787      2.95818  0.370386     2.51904  10.888      164.33      4.91175     164.33      
1 1 1 19 22 14 o 20.8483 6.02242 5.15024      3.5294   1.99148      2.57901  18.2558     111.006     12.2716     111.006     
1 1 1 19 22 15 o 18.81   5.52107 0.384896     2.84657  3.80294      2.71362  14.9618     301.524     2.32841     121.523     
1 1 1 19 22 16 o 19.3379 5.56616 2.38574      2.50286  3.11086      2.70572  16.8656     64.9294     1.11868     64.9294     
1 1 1 19 22 17 o 18.3827 5.34911 0.771071     2.42749  3.6315       2.60423  16.6481     307.149     8.94198     307.149     
1 1 1 19 22 18 o 21.6115 5.88204 4.31812      2.5615   3.61374      3.0645   22.6122     83.4849     11.6757     83.4849     
1 1 1 19 22 19 o 16.1218 5.10047 0.694979     2.3262   1.35418      2.85496  12.2836     215.236     1.56174     215.236     
1 1 1 19 22 20 o 17.5781 5.45542 1.567        2.84298  2.15003      2.83803  13.1048     20.032      1.88263     200.032     
1 1 1 19 22 21 o 18.1954 5.63789 2.09159      2.84768  2.47221      3.18889  12.2993     88.9955     5.67559     268.995     
1 1 1 19 22 22 o 16.9421 5.38189 0.889867     2.82586  2.14912      3.03093  13.3037     313.628     2.31567     313.628     
1 1 1 19 22 23 o 17.751  5.35748 3.26226      2.87035  1.42994      2.28394  14.7711     149.722     5.99745     149.722     
1 1 1 19 22 24 o 16.474  5.22105 2.45125      3.16433  0.683052     2.24006  7.48193     117.978     12.045      297.978     
1 1 1 19 22 25 o 12.2156 4.17115 -2.5706      2.86278  -1.04838     1.92364  3.12542     252.452     4.9528      72.4525     
1 1 1 19 22 26 o 11.6223 3.93515 0.0213051    2.12071  -3.21276     1.89628  0.996099    28.3167     8.88336     208.317     
1 1 1 19 22 27 o 15.0894 4.7215  0.186264     2.38327  1.57758      2.05609  5.56641     316.271     2.10583     136.271     
1 1 1 19 22 28 o 18.8394 5.6109  2.0898       2.43354  4.51625      3.0979   12.4091     161.961     3.84288     341.961     
1 1 1 19 22 29 o 15.1412 4.98456 1.28586      2.54838  0.261402     3.21285  7.60921     335.656     6.38757     155.656     
1 1 1 19 22 30 o 14.0208 4.80758 -0.408666    2.56056  -0.69489     3.92766  7.53421     105.009     4.36184     285.009     
1 1 1 19 22 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 22 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 23 0  o 10.8189 5.23737 -0.813451    2.76939  -0.813451    2.76939  3.46712     90          8.15544     270         
1 1 1 19 23 1  o 17.802  5.32843 -2.34575     2.83307  3.9749       2.8423   10.6912     178.932     6.02268     178.932     
1 1 1 19 23 2  o 13.7866 4.64563 -1.49892     2.75651  -1.75752     2.69547  7.13064     320.963     0.359819    320.963     
1 1 1 19 23 3  o 15.9731 5.15067 0.440168     2.84788  0.056739     2.7587   9.59505     61.6289     6.23611     241.629     
1 1 1 19 23 4  o 22.3891 5.65873 -0.0622427   2.92815  6.96084      2.93773  23.9039     144.23      12.7991     144.23      
1 1 1 19 23 5  o 16.0901 5.15242 -0.610696    2.79487  1.30155      2.76205  10.9907     97.5141     4.371       97.5141     
1 1 1 19 23 6  o 20.9049 5.78518 4.0374       2.74549  2.77967      2.69984  20.8862     141.135     8.51451     141.135     
1 1 1 19 23 7  o 26.7431 6.01    6.39329      2.81831  5.61042      2.75461  25.3034     244.116     2.40576     244.116     
1 1 1 19 23 8  o 17.6657 5.44312 2.21713      2.87892  1.01138      2.68979  15.1743     14.5724     2.4589      14.5724     
1 1 1 19 23 9  o 21.2343 5.85416 5.2261       2.94324  1.91685      2.78913  11.8331     175.558     14.5282     355.558     
1 1 1 19 23 10 o 29.5523 6.19826 7.3069       3.32819  7.72025      2.79674  25.6808     303.879     2.98749     123.879     
1 1 1 19 23 11 o 15.8313 5.24491 -0.595549    3.52561  0.0380967    2.92674  6.48082     167.438     3.51821     167.438     
1 1 1 19 23 12 o 16.7876 5.46687 0.255153     3.20309  1.06215      3.32617  3.63008     113.978     2.19721     113.978     
1 1 1 19 23 13 o 15.9674 5.21065 1.47173      2.70758  -2.31355     3.69737  12.0628     135.232     2.99237     135.232     
1 1 1 19 23 14 o 14.7033 4.69702 1.90725      2.36144  -3.00489     2.59263  3.52238     99.4891     1.60969     99.4891     
1 1 1 19 23 15 o 25.1773 5.91945 6.3298       2.57246  4.8362       2.96687  24.6724     85.5291     5.38116     85.5291     
1 1 1 19 23 16 o 22.6643 5.90879 2.45764      2.89379  6.58328      2.92854  19.6938     273.859     0.352824    273.859     
1 1 1 19 23 17 o 16.8145 5.32696 0.5784       2.7607   2.11465      2.94636  8.35337     21.5499     4.41764     21.5499     
1 1 1 19 23 18 o 14.5007 4.66695 -2.39467     2.7194   1.56292      2.24036  9.10154     33.571      0.955784    33.5711     
1 1 1 19 23 19 o 16.3128 4.95082 2.40445      2.28993  0.591297     2.25143  10.9048     85.4652     3.89262     265.465     
1 1 1 19 23 20 o 15.0124 4.66972 -0.57045     2.20876  1.96065      2.13853  7.69568     347.07      8.29729     167.07      
1 1 1 19 23 21 o 20.2781 5.43879 3.23614      2.38543  3.86175      2.31144  16.9088     335.219     1.54989     335.219     
1 1 1 19 23 22 o 14.4687 4.59133 1.12832      2.21606  0.102655     2.03506  6.15889     236.703     6.15792     56.703      
1 1 1 19 23 23 f 21.1851 5.37869 5.02073      2.36205  2.72358      2.22105  25.8353     18.5305     0           0           
1 1 1 19 23 24 o 14.5771 4.54463 0.00988832   2.16948  1.44784      1.91294  4.16104     191.915     1.85796     11.9151     
1 1 1 19 23 25 o 13.0283 4.46138 -1.63248     2.03822  -0.495923    3.21297  2.81694     327.298     2.55777     147.298     
1 1 1 19 23 26 o 16.3702 5.12883 2.21537      2.1911   1.34995      3.15847  7.5326      304.938     2.30113     304.938     
1 1 1 19 23 27 o 12.4412 4.27445 -1.01796     2.01694  -1.59121     3.12486  3.47116     85.4884     0.728908    265.488     
1 1 1 19 23 28 o 16.9863 5.24612 -0.96299     2.21579  5.79505      3.13988  10.0672     334.011     5.77396     334.011     
1 1 1 19 23 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 24 0  o 16.7136 7.00462 3.155        3.12188  3.155        3.12188  16.2308     90          6.66423     90          
1 1 1 19 24 1  o 18.2696 5.6467  2.35439      3.0079   1.78968      3.02237  12.3153     217.166     5.9202      37.1658     
1 1 1 19 24 2  o 22.3857 5.58944 7.39377      2.90188  -0.391862    3.05359  19.602      11.4589     0.401045    11.4589     
1 1 1 19 24 3  o 15.9533 5.04604 -2.21322     2.72626  2.58976      2.70572  11.3326     165.676     4.42862     165.676     
1 1 1 19 24 4  o 16.1539 5.13233 0.129        2.71044  1.47926      2.65671  12.2396     283.511     1.11096     283.511     
1 1 1 19 24 5  o 21.6567 5.9466  4.11173      2.8062   4.06163      2.87409  20.3208     306.539     4.75285     306.539     
1 1 1 19 24 6  o 26.068  5.75379 2.61452      2.95415  8.96222      2.93921  30.9082     17.9035     19.6064     17.9035     
1 1 1 19 24 7  o 17.4149 5.36786 1.7834       2.68348  1.75137      2.72786  9.40515     145.771     10.4226     325.771     
1 1 1 19 24 8  o 24.2345 5.91485 7.12391      2.87077  3.29213      2.81502  19.0789     351.224     4.63098     171.224     
1 1 1 19 24 9  o 14.9827 4.881   -0.312528    2.55345  0.576913     2.6613   8.9485      153.885     2.30038     153.885     
1 1 1 19 24 10 o 21.4164 6.0278  3.31618      3.80269  4.65393      2.60827  14.9759     319.015     6.94939     139.015     
1 1 1 19 24 11 o 24.776  6.4247  1.06739      4.40456  9.84618      3.63362  20.6272     214.157     2.00694     34.1574     
1 1 1 19 24 12 o 14.9823 4.96673 -0.0168143   2.36174  -0.266527    3.42233  9.19713     26.1838     3.27618     206.184     
1 1 1 19 24 13 o 17.7227 5.38151 0.0976097    2.43296  4.0857       2.96576  13.5525     232.985     0.482903    52.9851     
1 1 1 19 24 14 o 25.0282 5.73579 2.69412      2.88153  8.53668      2.87313  26.0431     308.813     9.55929     308.813     
1 1 1 19 24 15 o 14.7832 4.77499 -0.58667     2.65486  1.08869      2.3004   7.9664      94.7692     6.63649     274.769     
1 1 1 19 24 16 o 13.8291 4.49754 -0.441769    2.21598  0.455502     2.19955  4.2251      294.14      0.807838    294.14      
1 1 1 19 24 17 o 16.0541 4.91655 0.934055     2.25247  1.97417      2.25522  9.96905     226.044     0.604092    226.044     
1 1 1 19 24 18 o 16.3399 4.79809 3.37729      2.21169  -0.704736    2.13405  9.64437     129.181     1.05463     309.181     
1 1 1 19 24 19 o 16.8009 4.84921 3.36245      2.16188  0.0896925    2.0745   9.3209      218.12      3.04389     38.1202     
1 1 1 19 24 20 o 15.7044 4.75007 1.2904       2.14295  1.57165      1.95319  6.24531     275.183     7.26777     95.1827     
1 1 1 19 24 21 o 13.5449 4.58218 -0.781411    1.91568  -0.298592    3.32447  1.41913     38.0886     0.922913    218.089     
1 1 1 19 24 22 o 15.2359 4.97209 0.115149     1.97442  2.2024       3.3017   7.20614     237.891     4.15362     57.8911     
1 1 1 19 24 23 o 16.3328 5.14823 1.64826      2.00122  2.44237      3.33403  8.85029     97.208      6.52359     277.208     
1 1 1 19 24 24 o 13.6521 4.32072 2.1437       1.85127  -6.07608     3.15963  6.72492     94.4412     0.286523    274.441     
1 1 1 19 24 25 o 21.0544 5.81733 2.81585      2.08811  7.45786      3.34331  12.7331     179.547     10.8969     359.547     
1 1 1 19 24 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 25 0  o 15.6922 6.51955 2.75673      2.66328  2.75673      2.66328  4.63535     270         20.2187     90          
1 1 1 19 25 1  o 15.6359 5.01537 0.338216     2.55333  1.20465      2.67863  8.63585     74.0281     3.34731     74.0281     
1 1 1 19 25 2  o 14.6949 4.79962 -0.0761303   2.52261  0.329376     2.56475  8.20089     265.396     5.295       85.3963     
1 1 1 19 25 3  o 15.2762 4.91654 -0.664686    2.61653  1.53974      2.55526  9.8999      349.393     2.00548     349.393     
1 1 1 19 25 4  o 14.8176 4.8554  -0.618495    2.66161  0.752795     2.63645  6.27272     345.856     2.21153     345.856     
1 1 1 19 25 5  o 14.7566 4.83596 0.386129     2.61144  -0.1504      2.62175  9.15006     157.141     1.80381     337.141     
1 1 1 19 25 6  o 17.2822 5.33027 1.53597      2.69145  2.34534      2.66806  12.4044     129.507     1.89775     309.507     
1 1 1 19 25 7  o 13.9349 4.62439 -0.494627    2.5469   -0.342931    2.483    7.92329     130.341     0.828937    310.341     
1 1 1 19 25 8  o 17.4323 5.49865 3.43338      3.28137  0.481878     2.70867  13.1701     167.496     5.17892     167.496     
1 1 1 19 25 9  o 18.5143 5.77254 3.73297      3.31371  1.55284      3.15187  13.833      70.5083     1.09938     250.508     
1 1 1 19 25 10 o 28.3564 6.45083 6.28925      3.28609  9.83438      3.33277  29.0109     248.182     9.53523     248.182     
1 1 1 19 25 11 o 15.7017 5.13706 -2.73011     2.9121   2.91263      3.15756  5.49186     291.791     1.55638     291.791     
1 1 1 19 25 12 o 12.3943 4.26831 -1.18315     2.41429  -4.14376     2.98176  1.92129     215.854     1.53891     35.8544     
1 1 1 19 25 13 o 15.171  4.61796 -5.20177     2.67558  3.28083      2.25677  5.84588     305.983     0.239303    125.983     
1 1 1 19 25 14 o 39.0557 4.79682 11.2934      2.80474  11.4533      2.75472  42.3957     122.332     14.949      122.332     
1 1 1 19 25 15 o 18.2441 5.08527 0.805326     2.27212  4.03719      2.24522  10.7584     53.0168     2.84884     233.017     
1 1 1 19 25 16 f 18.1181 4.92967 0.367135     2.20016  4.17646      2.12619  6.48894     216.645     0           0           
1 1 1 19 25 17 o 16.6494 5.26116 -1.81199     1.95537  5.67433      3.46546  7.05595     85.2892     0.785321    85.2892     
1 1 1 19 25 18 f 12.9758 4.45118 -1.49178     1.79392  0.204589     3.29568  9.0957      127.391     0           0           
1 1 1 19 25 19 o 13.2028 4.47313 -0.584744    1.78111  0.0350319    3.24461  2.77188     121.888     0.684827    301.888     
1 1 1 19 25 20 o 18.6122 5.54072 2.36365      1.94901  5.23545      3.45773  14.7267     143.171     5.24705     143.171     
1 1 1 19 25 21 o 21.849  6.59625 7.17277      4.60399  7.02233      3.53414  19.7126     336.765     5.08968     336.765     
1 1 1 19 25 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 25 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 26 0  o 11.6101 5.42029 0.571452     2.50321  0.571452     2.50321  1.77927     90          8.67847     270         
1 1 1 19 26 1  o 17.4298 5.26806 0.631193     2.61341  3.35338      2.57949  10.3191     352.711     2.68498     172.711     
1 1 1 19 26 2  o 16.383  5.13136 1.96616      2.5785   0.967259     2.57106  6.58023     216.668     10.8361     36.6684     
1 1 1 19 26 3  o 15.3854 4.91635 2.12888      2.52938  -1.14479     2.64922  6.26082     92.9895     1.46897     272.989     
1 1 1 19 26 4  o 15.2035 4.90295 -0.142525    2.51736  1.36595      2.59202  5.38563     308.908     1.33112     128.908     
1 1 1 19 26 5  o 12.5925 4.2553  -2.00743     2.34493  -0.612662    2.32045  2.11144     182.281     7.26279     2.28143     
1 1 1 19 26 6  o 22.4254 5.8526  3.80899      2.65001  5.68311      2.7563   18.2653     296.381     7.32644     296.381     
1 1 1 19 26 7  o 27.1653 6.24707 6.3832       3.23299  8.09165      2.92261  25.6693     162.665     8.33415     162.665     
1 1 1 19 26 8  o 19.8199 5.95586 3.0665       3.16736  4.38669      3.20649  12.103      358.051     2.61747     358.051     
1 1 1 19 26 9  o 18.8038 5.26532 5.01368      2.52606  -0.0312234   2.59973  10.8266     86.3178     2.62142     86.3178     
1 1 1 19 26 10 o 18.676  5.63422 3.58746      3.11936  2.53335      2.58859  9.26254     348.754     2.86538     348.754     
1 1 1 19 26 11 o 15.1456 4.9133  -0.660058    2.91002  1.54189      2.46855  6.01486     315.12      6.73039     135.12      
1 1 1 19 26 12 o 20.9617 5.75922 4.29336      2.35404  4.37405      3.0969   15.2841     333.199     1.80155     153.199     
1 1 1 19 26 13 o 15.5823 5.03556 1.10078      2.1788   1.49148      3.25665  7.60085     203.738     5.55098     23.7377     
1 1 1 19 26 14 o 16.6394 5.26499 0.87478      2.09336  3.99887      3.32175  3.27426     15.5692     1.35995     15.5692     
1 1 1 19 26 15 o 13.1736 4.42503 0.123317     1.8308   -1.08733     3.19742  5.52886     88.3902     3.78737     268.39      
1 1 1 19 26 16 o 14.4336 4.62547 1.56714      1.80305  -0.916162    3.18866  2.74145     40.621      0.976904    40.621      
1 1 1 19 26 17 o 28.4029 5.144   13.4525      2.98095  1.32445      3.61246  32.1171     342.579     26.8744     342.579     
1 1 1 19 26 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 26 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 27 0  o 11.2693 5.30382 0.549822     2.47732  0.549822     2.47732  0.887136    90          1.5343      270         
1 1 1 19 27 1  o 16.7602 5.21665 1.76424      2.69068  2.53282      2.56036  10.0429     157.04      1.71806     337.04      
1 1 1 19 27 2  o 16.6312 5.19103 3.30327      2.7425   0.773863     2.52707  9.72525     349.236     2.8768      169.236     
1 1 1 19 27 3  f 16.8326 5.14983 0.686859     2.56999  3.49285      2.52243  8.70266     197.536     0           0           
1 1 1 19 27 4  o 27.1588 5.31779 10.8696      2.78032  3.06559      2.74767  29.017      90.3022     14.0925     90.3022     
1 1 1 19 27 5  o 11.9619 4.09139 -2.22585     2.32605  -0.736081    2.29653  3.0972      120.302     4.92399     300.303     
1 1 1 19 27 6  o 13.8581 4.63807 0.703581     2.89592  -0.496913    2.29654  5.99493     53.9541     1.83634     233.954     
1 1 1 19 27 7  o 15.0746 4.93594 1.53006      2.39593  0.124851     3.22798  8.22969     162.531     3.33719     342.531     
1 1 1 19 27 8  o 15.2945 4.98694 1.83245      2.35912  -0.0456278   3.43171  9.07568     278.476     0.393574    278.476     
1 1 1 19 27 9  o 15.1762 5.02294 -0.376089    2.48622  2.69346      3.26481  8.90613     99.0572     3.21884     279.057     
1 1 1 19 27 10 o 14.3406 4.79628 1.00337      2.52782  -0.945082    3.26611  7.15317     226.473     1.77901     226.473     
1 1 1 19 27 11 o 20.2776 5.70821 5.42645      2.38143  2.33102      4.72977  18.5093     201.188     5.61245     201.188     
1 1 1 19 27 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 27 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 27 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 28 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 28 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 28 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 28 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 19 28 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 0  0  o 85.8883 5.67769 41.5823      7.34975  41.5823      7.34975  117.825     360         44.759      360         
1 1 1 20 0  1  o 92.1549 3.80677 47.1105      5.35956  47.1105      5.35956  103.913     90          2.91281     90          
1 1 1 20 0  2  o 114.224 3.47163 71.9469      6.08059  71.9469      6.08059  122.35      180         9.26306     8.65153e-06 
1 1 1 20 0  3  o 29.5077 8.60602 6.85945      3.87506  6.85945      3.87506  8.13148     270         47.1218     90          
1 1 1 20 0  4  o 44.9507 6.70421 12.5995      4.08408  12.5995      4.08408  54.3785     180         40.2449     180         
1 1 1 20 0  5  o 41.6389 7.07978 11.1514      3.93644  11.1514      3.93644  56.9069     270         30.12       270         
1 1 1 20 0  6  o 88.4398 3.49581 43.3187      4.72659  43.3187      4.72659  101.959     180         7.46916     180         
1 1 1 20 0  7  o 17.971  7.19981 2.44154      3.07344  2.44154      3.07344  1.4887      270         22.897      270         
1 1 1 20 0  8  o 15.6014 6.7181  1.3059       3.03078  1.3059       3.03078  3.99458     8.65129e-06 21.3071     8.65129e-06 
1 1 1 20 0  9  o 34.9937 6.90201 8.2185       3.21778  8.2185       3.21778  32.4262     270         11.5451     90          
1 1 1 20 0  10 o 63.0921 3.88807 22.406       3.70864  22.406       3.70864  64.0552     360         11.7691     180         
1 1 1 20 0  11 o 54.8369 4.25686 17.1813      3.48444  17.1813      3.48444  59.2168     270         3.06708     90          
1 1 1 20 0  12 o 22.6036 7.46869 4.23332      2.90079  4.23332      2.90079  2.67153     180         42.5666     8.65151e-06 
1 1 1 20 0  13 o 10.1073 4.95502 -2.15093     2.6727   -2.15093     2.6727   8.89829     270         25.7902     270         
1 1 1 20 0  14 o 25.32   8.11563 5.32318      3.41305  5.32318      3.41305  18.8968     180         15.8941     8.65137e-06 
1 1 1 20 0  15 o 82.78   3.15314 38.009       3.99255  38.009       3.99255  93.6701     90          4.49001     90          
1 1 1 20 0  16 o 10.2163 4.94046 -1.43468     2.45007  -1.43468     2.45007  1.38733     8.65166e-06 6.10048     8.65166e-06 
1 1 1 20 0  17 o 111.884 2.47016 68.8363      4.24641  68.8363      4.24641  111.856     90          22.9557     270         
1 1 1 20 0  18 o 16.5812 6.55027 2.19159      2.49859  2.19159      2.49859  14.936      8.65127e-06 65.943      8.65127e-06 
1 1 1 20 0  19 o 42.6071 4.571   10.7751      2.79482  10.7751      2.79482  54.5631     270         15.3943     270         
1 1 1 20 0  20 o 71.3813 2.97643 28.3637      3.24539  28.3637      3.24539  75.5187     180         5.81888     360         
1 1 1 20 0  21 o 35.1801 5.51778 7.88278      2.61302  7.88278      2.61302  47.2189     90          17.3545     90          
1 1 1 20 0  22 o 10.5402 4.99635 -0.704461    2.26849  -0.704461    2.26849  1.0297      180         7.81237     180         
1 1 1 20 0  23 o 59.6846 3.35849 20.1074      3.0404   20.1074      3.0404   78.8814     270         27.11       270         
1 1 1 20 0  24 o 11.4706 5.27793 -0.0114031   2.24836  -0.0114031   2.24836  0.364366    360         10.1876     180         
1 1 1 20 0  25 o 12.9314 5.76206 0.633708     2.42467  0.633708     2.42467  1.30741     270         21.3091     90          
1 1 1 20 0  26 o 89.506  2.89673 44.5958      3.97344  44.5958      3.97344  122.384     0           49.6857     0           
1 1 1 20 0  27 o 39.1149 5.58602 9.70785      2.98081  9.70785      2.98081  35.0242     270         15.0701     90          
1 1 1 20 0  28 o 36.7781 5.26425 8.57828      2.64033  8.57828      2.64033  41.75       360         3.59695     360         
1 1 1 20 0  29 o 10.9722 5.12505 -0.23864     2.24236  -0.23864     2.24236  1.66634     90          11.0992     270         
1 1 1 20 0  30 o 11.4298 5.30535 -0.0673822   2.34522  -0.0673822   2.34522  2.03103     0           9.22958     180         
1 1 1 20 0  31 o 9.98891 4.8295  -1.15657     2.33858  -1.15657     2.33858  0.0895734   89.9999     6.83774     89.9999     
1 1 1 20 0  32 o 47.7229 4.05314 13.4736      2.86487  13.4736      2.86487  60.0009     180         17.055      180         
1 1 1 20 0  33 o 12.3542 5.71205 0.161776     2.67942  0.161776     2.67942  0.730288    270         0.652331    90          
1 1 1 20 0  34 o 13.6752 6.13312 0.962959     2.79781  0.962959     2.79781  0.42592     360         27.066      180         
1 1 1 20 0  35 o 6.87549 3.54477 -4.71034     2.21855  -4.71034     2.21855  0.693919    90.0001     2.56397     90.0001     
1 1 1 20 0  36 o 9.9099  4.90103 -2.05854     2.77451  -2.05854     2.77451  1.50657     180         2.53728     8.7813e-06  
1 1 1 20 0  37 o 26.2453 7.69955 6.30732      3.09739  6.30732      3.09739  31.8077     90          7.62738     90          
1 1 1 20 0  38 o 19.6132 6.89883 3.80531      2.52389  3.80531      2.52389  18.3139     360         4.79198     180         
1 1 1 20 0  39 o 15.882  6.42849 2.49474      2.48536  2.49474      2.48536  8.34384     270         16.314      90          
1 1 1 20 0  40 o 17.9217 6.82967 3.3788       2.61333  3.3788       2.61333  18.1733     180         0.677929    8.65162e-06 
1 1 1 20 0  41 o 11.1629 5.27555 -0.00393366  2.49518  -0.00393366  2.49518  6.91843     270         7.429       90          
1 1 1 20 0  42 o 15.036  6.79381 2.08477      3.50987  2.08477      3.50987  9.28268     180         5.21642     180         
1 1 1 20 0  43 o 9.73535 4.8357  -1.82611     2.78892  -1.82611     2.78892  0.985733    270         0.59348     90          
1 1 1 20 0  44 o 11.7661 5.63514 0.0186535    3.03014  0.0186535    3.03014  0.920916    180         0.168408    180         
1 1 1 20 0  45 o 12.6186 5.80133 1.08649      2.70853  1.08649      2.70853  5.14934     90          1.02333     90          
1 1 1 20 0  46 o 9.01919 4.51113 -2.03988     2.56466  -2.03988     2.56466  1.24274     180         12.1899     180         
1 1 1 20 0  47 o 9.49892 4.6831  -1.20536     2.47837  -1.20536     2.47837  0.056778    270         6.89911     270         
1 1 1 20 0  48 o 9.7913  4.79121 -0.687101    2.4697   -0.687101    2.4697   1.69808     180         3.74445     8.5474e-06  
1 1 1 20 0  49 o 9.96149 4.8546  -0.47765     2.47283  -0.47765     2.47283  4.00107     270         9.46395     90          
1 1 1 20 1  0  o 23.074  8.34095 4.44008      3.74334  4.44008      3.74334  6.2744      8.84587e-06 20.3511     180         
1 1 1 20 1  1  o 58.8026 4.61264 17.7288      4.1038   21.42        4.06811  79.5754     7.542       39.8383     7.542       
1 1 1 20 1  2  o 22.0994 6.33464 -0.219525    3.48538  2.48594      3.38761  3.43459     133.869     10.1207     313.869     
1 1 1 20 1  3  o 63.6308 4.22968 25.1659      4.11154  20.3943      4.0462   67.899      51.2457     0.760346    51.246      
1 1 1 20 1  4  o 50.0731 5.15199 11.9794      3.77165  16.9652      3.8537   14.5083     323.414     77.5668     143.414     
1 1 1 20 1  5  o 34.1236 6.07677 4.75884      3.32285  9.01913      3.23173  29.2581     85.2809     0.973167    265.281     
1 1 1 20 1  6  o 22.9527 6.22155 1.31459      3.15293  2.90829      3.07462  3.69902     103.659     27.3225     283.659     
1 1 1 20 1  7  o 35.4824 6.08063 9.07882      3.40623  5.93713      3.22566  34.5178     225.664     14.7281     225.664     
1 1 1 20 1  8  f 48.104  4.50825 15.6391      3.23952  10.899       3.18425  15.7333     182.539     0           0           
1 1 1 20 1  9  o 29.1515 6.2307  5.60961      3.14955  4.32944      2.9342   22.2792     250.542     1.08275     70.5417     
1 1 1 20 1  10 o 62.8541 3.70898 21.3977      3.48526  22.8384      3.62947  64.6601     162.85      5.37075     342.85      
1 1 1 20 1  11 o 49.077  4.47445 16.0795      3.14965  11.5717      3.32662  55.656      67.8997     9.44236     67.8997     
1 1 1 20 1  12 o 59.7172 3.66417 20.1453      3.13796  19.8639      3.51773  78.6921     278.16      31.1081     278.16      
1 1 1 20 1  13 o 21.3551 5.93773 1.08269      2.98461  2.25648      2.78577  3.05853     37.6544     32.1339     217.654     
1 1 1 20 1  14 o 65.956  3.39935 25.1736      3.39192  23.5146      3.45932  76.8218     329.382     11.2971     329.382     
1 1 1 20 1  15 o 27.2854 5.85389 2.92786      2.745    5.7716       2.7674   5.45249     340.194     44.7293     160.194     
1 1 1 20 1  16 o 51.1947 4.09184 15.3398      3.25916  14.5913      3.0798   45.5725     240.643     18.9177     60.6425     
1 1 1 20 1  17 o 71.8989 3.20949 30.273       3.51628  27.6206      3.54643  68.7309     62.0574     19.0363     242.057     
1 1 1 20 1  18 o 56.5141 3.60037 19.0832      3.15812  17.0937      3.03908  62.8375     289.093     4.2136      289.093     
1 1 1 20 1  19 o 42.3412 4.35399 12.5012      2.77469  8.51654      2.66864  53.3087     158.998     18.7328     158.998     
1 1 1 20 1  20 o 17.3273 4.97579 2.6714       2.45621  -3.26902     2.35852  7.28952     250.887     1.46458     70.8874     
1 1 1 20 1  21 o 28.0257 5.48293 6.92264      2.66547  2.67875      2.4967   28.4746     193.831     3.14665     193.831     
1 1 1 20 1  22 o 42.9155 4.39164 12.6216      2.88293  9.13451      2.71462  57.1765     235.793     25.583      235.793     
1 1 1 20 1  23 o 20.4624 5.39691 3.55835      2.49029  -0.0387487   2.40996  14.4296     145.082     4.84399     145.082     
1 1 1 20 1  24 o 29.9946 5.33615 6.99937      2.51289  4.18134      2.50151  8.34714     305.785     45.874      125.785     
1 1 1 20 1  25 o 49.2842 3.793   13.1863      2.84284  14.9378      2.80682  61.4267     29.9745     18.2117     29.9745     
1 1 1 20 1  26 o 18.5353 5.26716 1.58611      2.29968  1.0061       2.30855  15.1786     212.692     5.76031     212.692     
1 1 1 20 1  27 f 28.2553 5.47397 3.81476      2.48671  6.32684      2.51826  27.294      132.928     0           0           
1 1 1 20 1  28 o 23.3527 5.30297 0.8624       2.39432  5.37969      2.42496  24.4081     163.655     4.45127     163.655     
1 1 1 20 1  29 o 66.2134 3.33815 20.5792      3.13223  30.5031      3.60357  82.572      331.653     23.3705     331.653     
1 1 1 20 1  30 o 17.0859 5.24075 0.00791962   2.34736  0.802658     2.7472   8.06806     56.5172     2.32046     56.5172     
1 1 1 20 1  31 o 24.5112 5.7778  4.6007       2.46425  3.10082      2.75658  19.2333     351.895     9.31396     171.895     
1 1 1 20 1  32 o 44.8568 4.13974 13.4783      2.79991  10.9417      2.75501  46          126.995     2.18277     306.995     
1 1 1 20 1  33 o 14.3831 4.70402 -1.64689     2.50503  -0.802428    2.42054  0.797088    257.788     23.7429     77.7879     
1 1 1 20 1  34 o 16.7045 5.06092 -2.32675     2.57242  2.27841      2.50103  11.5019     357.526     1.82155     357.526     
1 1 1 20 1  35 o 15.0063 4.77417 -0.581886    2.33665  0.129506     2.30249  8.49819     176.109     1.04718     176.109     
1 1 1 20 1  36 o 17.5937 5.37083 2.58924      2.83065  -1.18433     2.72396  15.8477     117.48      4.84686     117.48      
1 1 1 20 1  37 o 24.9567 6.29507 4.19609      3.08242  5.57533      3.07139  30.7091     193.428     15.0951     193.428     
1 1 1 20 1  38 o 20.881  5.79337 3.52441      2.92063  2.59156      2.51115  21.0981     265.601     4.3106      265.601     
1 1 1 20 1  39 o 45.7384 4.37613 15.0854      3.07014  12.5717      2.92389  52.6969     159.849     10.3815     159.849     
1 1 1 20 1  40 o 23.9369 5.97547 6.75912      2.96712  2.42742      2.93968  29.7688     190.763     18.5439     190.763     
1 1 1 20 1  41 o 22.3024 6.2497  4.46517      2.93378  4.15762      3.52442  26.0215     173.094     11.0264     173.094     
1 1 1 20 1  42 o 17.6491 5.23095 3.51984      2.55886  -0.263936    2.53993  18.1473     217.796     8.32274     217.796     
1 1 1 20 1  43 o 17.1622 5.46053 -0.235936    3.33151  2.48981      2.93441  12.2759     33.766      6.73256     213.766     
1 1 1 20 1  44 o 19.8797 5.94222 3.39337      3.11034  3.60752      3.14925  19.5852     36.6924     3.67465     36.6924     
1 1 1 20 1  45 o 17.35   5.42662 1.77541      2.58684  2.20184      3.13339  15.0096     199.179     6.61987     199.179     
1 1 1 20 1  46 o 17.6629 5.51479 3.11002      3.18559  1.38353      2.67345  7.16733     252.913     3.31535     252.913     
1 1 1 20 1  47 o 20.3346 5.85755 4.91762      3.12299  3.18421      2.64479  17.3458     3.08146     0.333968    3.08146     
1 1 1 20 1  48 o 13.1517 4.44012 -1.53947     2.53605  0.17538      2.52286  6.542       344.13      0.529645    164.13      
1 1 1 20 1  49 o 13.9008 4.64041 -0.276702    2.63294  0.435095     2.57571  10.6329     27.3557     0.736544    207.356     
1 1 1 20 2  0  o 11.2922 5.47514 -1.96        3.05356  -1.96        3.05356  2.00204     2.22935e-05 5.23113     2.22935e-05 
1 1 1 20 2  1  o 65.2945 3.95382 20.1079      3.85479  27.8557      3.94301  81.8701     74.8654     26.3451     74.8654     
1 1 1 20 2  2  o 45.3777 5.17003 11.4775      3.69271  12.2187      3.25582  37.1122     354.295     18.6232     174.295     
1 1 1 20 2  3  o 54.494  4.31141 15.881       3.6377   17.6186      3.44855  32.9514     40.5851     50.1016     220.585     
1 1 1 20 2  4  o 42.2951 5.53519 8.96249      3.4514   11.9448      3.47281  49.5782     295.734     23.4017     295.734     
1 1 1 20 2  5  o 43.4852 5.23612 10.4419      3.42977  11.4284      3.32264  50.3029     175.612     17.4901     175.612     
1 1 1 20 2  6  o 57.3826 4.18148 20.7846      3.62292  16.4053      3.61341  41.7827     322.673     39.0015     142.673     
1 1 1 20 2  7  o 79.2321 3.3905  33.9958      4.15969  35.716       4.06994  76.1311     77.2817     19.7359     257.282     
1 1 1 20 2  8  o 53.552  4.34169 19.2012      3.39389  13.5037      3.5034   54.9346     255.196     2.60437     75.1956     
1 1 1 20 2  9  o 20.2243 5.55039 -1.22215     2.67429  3.19333      2.72041  1.85523     172.363     2.47801     352.363     
1 1 1 20 2  10 o 47.2871 4.19942 12.3126      2.99463  13.0804      2.98331  31.9257     299.507     36.1795     119.507     
1 1 1 20 2  11 o 20.4306 5.67227 1.71993      2.61386  1.37004      2.60325  2.09835     82.328      29.2186     262.328     
1 1 1 20 2  12 o 49.1989 4.02164 13.2697      2.98713  14.1759      2.9913   46.9251     42.3618     10.172      222.362     
1 1 1 20 2  13 o 35.6625 5.39233 9.03438      2.79516  6.12527      2.96104  29.0138     303.389     14.5675     123.389     
1 1 1 20 2  14 o 36.3563 5.20107 4.85465      2.73879  11.2336      2.92522  44.0949     11.4469     17.0749     11.4469     
1 1 1 20 2  15 o 59.7761 3.52032 17.4078      3.09263  22.9622      3.30478  66.4616     148.409     4.01606     148.409     
1 1 1 20 2  16 f 42.8919 4.87671 8.90031      3.12147  12.7936      3.0078   50.1783     73.9745     0           0           
1 1 1 20 2  17 f 37.6098 5.21467 6.36356      2.94654  10.6967      2.84865  48.5423     221.533     0           0           
1 1 1 20 2  18 o 43.6707 4.64531 13.4711      3.10908  9.02232      2.8885   40.9435     301.55      10.6105     121.55      
1 1 1 20 2  19 o 32.4941 5.61831 7.13191      2.84091  5.79337      2.74596  25.38       340.966     15.8825     160.966     
1 1 1 20 2  20 f 31.7309 5.48701 7.08387      2.7623   5.27881      2.57517  54.0269     277.644     0           0           
1 1 1 20 2  21 o 19.5878 5.43027 2.0755       2.45795  1.06614      2.33782  12.689      9.96828     1.5552      9.96827     
1 1 1 20 2  22 o 35.5901 4.97144 8.28327      2.63304  7.02776      2.62103  48.821      116.362     28.5087     116.362     
1 1 1 20 2  23 o 16.0222 4.9225  -0.771304    2.25263  0.569093     2.30846  7.11423     353.059     5.18533     173.059     
1 1 1 20 2  24 o 32.7291 5.14599 5.54763      2.54716  7.64439      2.52363  20.3821     359.406     27.4612     179.406     
1 1 1 20 2  25 o 31.4828 5.50694 5.84086      2.56652  6.58834      2.7454   33.9169     164.975     4.03252     164.975     
1 1 1 20 2  26 o 25.091  5.36456 6.28872      2.48764  0.635764     2.75028  28.6459     85.7817     9.40279     85.7817     
1 1 1 20 2  27 o 39.1785 4.66457 8.38425      2.65123  10.2948      2.76913  50.6359     112.581     19.4558     112.581     
1 1 1 20 2  28 o 96.9377 2.60339 53.9165      3.88544  51.8276      3.87182  128.984     48.7673     48.7256     48.7673     
1 1 1 20 2  29 o 20.8501 5.49358 2.58775      2.36012  2.26278      2.36713  7.17029     86.5882     26.8102     266.588     
1 1 1 20 2  30 o 31.1413 5.30663 5.23424      2.53278  7.38191      2.53571  39.0491     80.4731     17.142      80.4731     
1 1 1 20 2  31 o 37.9831 4.79155 10.738       2.7351   7.4547       2.63565  40.2477     250.489     1.87981     250.489     
1 1 1 20 2  32 o 21.1288 5.40866 4.03682      2.39905  0.892183     2.41928  14.5895     145.617     10.4768     325.617     
1 1 1 20 2  33 o 32.7771 5.73397 6.76279      2.91041  7.91163      2.85956  39.3831     192.513     13.6567     192.513     
1 1 1 20 2  34 f 22.2189 5.84311 3.51872      2.656    2.9359       2.69534  23.8491     163.847     0           0           
1 1 1 20 2  35 o 34.9855 5.11165 14.3526      2.88316  3.12445      2.95821  38.586      170.161     5.51647     170.161     
1 1 1 20 2  36 o 43.1101 5.27486 12.4612      3.37391  13.0148      3.37492  43.937      301.928     2.19401     121.928     
1 1 1 20 2  37 o 19.3902 5.69815 3.27913      2.87349  0.66894      2.89386  18.9386     253.225     2.94206     253.225     
1 1 1 20 2  38 o 14.6358 4.79337 -0.427666    2.34377  -1.04246     2.79658  10.2629     251.281     0.384767    251.281     
1 1 1 20 2  39 o 18.133  5.66638 1.95702      2.92594  0.509952     3.39402  13.6847     286.992     4.84737     106.992     
1 1 1 20 2  40 o 24.1166 6.16491 3.1365       3.03742  6.59429      3.09651  20.2439     209.087     6.90356     29.0875     
1 1 1 20 2  41 o 21.5732 5.79744 5.17888      2.84811  2.37211      2.59965  20.1104     336.005     1.5327      156.005     
1 1 1 20 2  42 o 15.7388 5.0116  -0.827429    2.75416  1.63845      2.51598  13.2558     120.732     0.441036    300.732     
1 1 1 20 2  43 o 17.0311 5.16277 3.73711      2.68487  -1.50859     2.60864  12.2481     110.145     6.69519     290.145     
1 1 1 20 2  44 o 18.5643 5.6351  4.72971      3.06721  -0.47865     3.21475  15.5259     271.339     2.79754     91.3387     
1 1 1 20 2  45 o 17.9004 5.58281 1.59196      3.04204  2.95523      3.00727  13.6364     47.4351     4.46156     227.435     
1 1 1 20 2  46 o 23.1329 5.83853 3.52866      2.74286  6.45878      2.73755  23.7362     17.7579     7.52103     17.7579     
1 1 1 20 2  47 o 13.6139 4.55902 -1.23267     2.43571  0.0841903    2.64446  6.01204     315.651     3.81143     135.651     
1 1 1 20 2  48 o 15.6137 4.98784 0.763884     2.57826  2.20143      2.57068  7.81137     62.6525     3.44747     62.6525     
1 1 1 20 2  49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 3  0  o 21.8818 7.37972 3.94644      2.84478  3.94644      2.84478  3.80209     180         50.321      180         
1 1 1 20 3  1  o 32.3831 5.77579 7.95908      2.94967  4.42726      2.93173  26.4863     221.261     6.34776     221.261     
1 1 1 20 3  2  o 71.182  3.5542  27.583       3.82079  28.7712      3.92095  75.4472     266.785     1.94072     86.785      
1 1 1 20 3  3  o 43.8704 5.20183 14.675       3.3293   7.99624      3.29559  19.7618     237.486     52.0341     57.486      
1 1 1 20 3  4  o 20.7673 6.07909 1.11201      3.2962   0.65995      3.05062  2.91784     123.626     9.9256      303.626     
1 1 1 20 3  5  o 32.0714 6.46836 7.79443      3.49182  4.3446       3.35829  6.96739     143.292     49.5984     323.292     
1 1 1 20 3  6  o 100.561 3.11273 55.1681      4.81904  56.6682      4.79689  94.9484     0.284277    30.1972     180.284     
1 1 1 20 3  7  o 39.3209 5.91219 8.42709      3.43922  9.88504      3.50302  33.2687     227.073     11.9479     47.0735     
1 1 1 20 3  8  o 32.8237 6.54781 7.99268      3.61664  4.89126      3.38837  18.4235     84.5165     27.3169     264.517     
1 1 1 20 3  9  o 27.5225 6.02345 6.73052      3.00048  1.19674      3.25853  19.1849     348.345     3.68543     348.345     
1 1 1 20 3  10 f 25.2996 6.21063 3.7966       2.91349  3.05517      3.01937  53.9981     242.875     0           0           
1 1 1 20 3  11 o 47.5575 4.67141 12.4643      3.40548  13.5357      3.23423  35.0404     312.568     30.7021     132.568     
1 1 1 20 3  12 o 25.5936 6.1575  5.5238       3.17844  1.31409      2.96609  10.5428     208.775     27.4129     28.7748     
1 1 1 20 3  13 o 36.2542 5.31099 7.48939      2.95908  8.09308      2.77356  32.2054     259.074     9.58242     79.0742     
1 1 1 20 3  14 o 53.709  3.84436 16.18        3.21306  16.4865      3.05361  48.4266     242.091     18.6155     62.0914     
1 1 1 20 3  15 o 24.5841 5.9746  3.58928      2.82184  3.1339       2.64643  1.49119     307.862     46.6984     127.863     
1 1 1 20 3  16 o 63.3193 3.38248 20.6145      3.19243  24.5227      3.34673  72.5851     273.831     8.47134     273.831     
1 1 1 20 3  17 o 33.5683 5.37795 5.90194      2.63887  7.73246      2.80514  27.1404     37.9743     14.8245     217.974     
1 1 1 20 3  18 o 38.0423 4.89678 6.93964      2.67799  10.3616      2.82595  37.776      245.26      3.4975      65.2603     
1 1 1 20 3  19 o 25.9729 5.84249 3.64732      2.60472  4.40314      2.66364  0.585329    59.4848     52.0842     239.485     
1 1 1 20 3  20 o 31.377  5.46962 4.25859      2.65209  7.89402      2.72004  25.2837     177.212     13.3489     357.212     
1 1 1 20 3  21 o 60.7642 3.5983  23.0317      3.20692  19.1185      3.41128  56.841      203.12      17.2867     23.1196     
1 1 1 20 3  22 o 34.5812 5.90085 6.83585      3.16746  8.14779      3.05985  16.7885     304.98      38.8142     124.98      
1 1 1 20 3  23 o 21.069  5.53231 4.29826      2.79689  -0.761119    2.50622  15.3321     186.332     6.84665     6.33176     
1 1 1 20 3  24 o 37.6304 4.71215 7.30702      2.6095   9.77158      2.6274   43.7137     257.28      9.58368     257.28      
1 1 1 20 3  25 o 21.9822 5.47947 1.2214       2.37     3.99226      2.45161  12.6215     195.539     18.0412     15.5391     
1 1 1 20 3  26 o 35.9985 5.02142 10.9069      2.63609  5.3699       2.71178  48.3215     292.811     22.7941     292.811     
1 1 1 20 3  27 f 41.0708 4.49951 11.9854      2.71455  8.4887       2.72206  35.0292     194.02      0           0           
1 1 1 20 3  28 o 21.3325 5.52604 2.37705      2.35425  2.80416      2.39436  21.023      199.145     11.2391     199.145     
1 1 1 20 3  29 o 16.3665 4.81062 2.37811      2.27748  -2.90326     2.29036  10.8131     301.295     1.85069     121.295     
1 1 1 20 3  30 o 33.0746 5.13267 9.51139      2.60426  4.75958      2.57058  39.1086     351.898     11.7174     351.898     
1 1 1 20 3  31 o 24.1116 5.7712  3.77378      2.52674  3.77092      2.57128  13.4028     332.981     20.9308     152.981     
1 1 1 20 3  32 f 22.2731 5.29258 0.0182101    2.45669  5.40697      2.50155  37.231      334.676     0           0           
1 1 1 20 3  33 o 18.064  5.40273 1.72647      2.60462  0.37503      2.62285  12.3265     210.587     4.1868      210.587     
1 1 1 20 3  34 o 23.9244 5.78188 4.23515      2.56503  3.71896      2.56061  20.3329     61.5434     5.59994     241.543     
1 1 1 20 3  35 f 15.2019 4.82198 0.28778      2.29953  -0.534782    2.40198  1.6074      34.8224     0           0           
1 1 1 20 3  36 o 17.8216 5.5606  1.97475      2.81969  -1.05172     3.42908  16.0902     15.2646     1.98336     15.2646     
1 1 1 20 3  37 o 16.6709 5.31154 1.01204      2.79793  -0.684787    3.02934  13.5091     112.989     1.90718     292.989     
1 1 1 20 3  38 f 17.5413 5.37351 2.90278      2.81223  -1.70262     2.94472  12.2208     63.9607     0           0           
1 1 1 20 3  39 o 15.1403 4.98905 -0.464835    2.71115  -0.885782    2.98122  9.44275     13.7796     2.56541     13.7796     
1 1 1 20 3  40 o 17.8692 5.43733 1.09744      2.55985  2.35928      2.85216  17.8351     75.1027     7.22946     75.1027     
1 1 1 20 3  41 o 23.4502 5.82857 6.53351      2.73057  2.30103      3.0816   25.0244     211.724     4.70692     211.724     
1 1 1 20 3  42 o 18.7065 5.65694 3.4897       3.15157  1.51068      2.62978  11.5241     29.9323     8.01439     29.9323     
1 1 1 20 3  43 o 19.0184 5.60726 1.15305      3.05325  3.93941      2.69659  17.4495     178.74      0.485732    178.74      
1 1 1 20 3  44 f 18.6003 5.40858 4.22153      2.62632  0.858206     2.62187  7.89106     119.358     0           0           
1 1 1 20 3  45 o 16.7971 5.39766 -0.765934    3.29321  2.92988      3.05275  13.5057     10.6297     1.00592     10.6297     
1 1 1 20 3  46 o 16.9446 5.41182 -0.106381    3.27514  2.81001      2.95203  11.2184     145.765     0.259233    325.765     
1 1 1 20 3  47 o 15.051  4.89696 0.826585     2.62691  0.502027     2.59631  5.38272     26.7105     1.1565      26.7105     
1 1 1 20 3  48 o 16.8998 5.23284 1.83956      2.57814  3.01317      2.63647  13.7027     230.877     6.02812     230.877     
1 1 1 20 3  49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 4  0  o 13.8836 6.35242 0.0181375    3.19466  0.0181375    3.19466  0.923451    180         3.39647     180         
1 1 1 20 4  1  o 54.962  4.36954 18.655       3.82774  15.5619      3.44228  62.1508     15.0647     9.95507     15.0647     
1 1 1 20 4  2  o 23.9531 6.22653 3.71619      3.0597   1.54594      3.09138  6.79599     201.058     23.9577     21.0585     
1 1 1 20 4  3  o 36.8694 5.72188 10.6331      3.18913  5.58477      3.20788  25.0972     93.6052     22.9961     273.605     
1 1 1 20 4  4  o 83.8349 3.16616 39.74        4.06904  38.1075      4.07454  83.6406     12.5439     14.8068     192.544     
1 1 1 20 4  5  f 44.7634 5.23511 11.715       3.58639  11.5013      3.37715  49.5293     245.664     0           0           
1 1 1 20 4  6  f 38.158  5.96649 8.99467      3.4223   8.29646      3.40432  47.1222     162.498     0           0           
1 1 1 20 4  7  o 26.7677 6.50109 3.02714      3.3164   4.69086      3.22725  8.83681     89.9174     31.8243     269.917     
1 1 1 20 4  8  o 63.3485 4.18491 23.5278      4.22321  21.7739      3.84805  62.2118     171.552     11.4039     351.552     
1 1 1 20 4  9  o 29.5201 6.86757 4.7446       3.92645  5.23847      3.33688  25.229      71.6113     6.45293     71.6113     
1 1 1 20 4  10 o 36.9057 6.04486 10.0673      3.34923  6.3479       3.45686  44.1059     329.3       21.8006     329.3       
1 1 1 20 4  11 o 46.9636 4.79534 16.0228      3.32954  9.80832      3.25146  36.5483     319.789     26.3644     139.789     
1 1 1 20 4  12 o 43.1165 5.31922 8.48416      3.16677  13.6744      3.6184   30.4733     215.743     30.0502     35.7425     
1 1 1 20 4  13 o 18.0456 5.53856 -0.632128    2.86167  0.337459     2.86735  6.50972     299.387     12.4404     119.387     
1 1 1 20 4  14 o 23.021  5.95682 0.759997     2.90691  4.06955      2.88011  5.62069     324.527     57.7815     324.527     
1 1 1 20 4  15 o 13.9108 4.66583 -3.25354     2.68211  -2.67961     2.69532  0.776575    301.37      20.6778     301.37      
1 1 1 20 4  16 o 17.4075 5.34251 1.01798      2.6932   -1.86628     2.79965  7.70827     350.081     5.98657     170.081     
1 1 1 20 4  17 o 48.6267 4.00831 13.1918      2.83831  13.9164      3.05206  61.586      158.469     20.7155     158.469     
1 1 1 20 4  18 o 37.0645 5.02073 8.99261      2.72671  7.43406      2.78731  37.5038     229.367     1.51163     49.3667     
1 1 1 20 4  19 o 49.6987 3.94989 14.4116      2.90313  13.9729      3.03256  43.3026     318.229     19.6593     138.229     
1 1 1 20 4  20 o 49.9957 3.89953 13.9935      2.8855   14.7687      3.01967  39.8314     309.747     27.3798     129.747     
1 1 1 20 4  21 o 47.7648 4.11073 15.0739      2.86525  11.5214      2.97829  54.4832     200.794     7.96576     200.794     
1 1 1 20 4  22 o 23.1916 5.60069 4.63713      2.56584  1.15179      2.55444  20.6294     269.336     0.10023     89.3359     
1 1 1 20 4  23 o 21.9696 5.72091 2.67803      2.62954  2.46544      2.46561  14.3158     88.2512     12.7733     268.251     
1 1 1 20 4  24 o 23.2996 5.41166 0.494813     2.51666  5.25854      2.51934  20.0312     336.934     12.9612     336.934     
1 1 1 20 4  25 f 20.1421 5.53918 2.1308       2.52914  1.64612      2.40705  24.2683     118.944     0           0           
1 1 1 20 4  26 o 28.3377 5.53615 4.07736      2.56315  6.12074      2.50751  20.2102     303.945     18.146      123.945     
1 1 1 20 4  27 o 35.2498 4.99237 7.65741      2.63927  7.81327      2.59112  33.1367     60.3402     7.31568     240.34      
1 1 1 20 4  28 o 46.5847 4.04552 15.0964      2.81956  10.8742      2.78644  54.9952     50.2154     11.7548     50.2154     
1 1 1 20 4  29 o 47.3201 4.02277 15.4094      2.85363  11.4702      2.82722  47.5301     67.8265     4.91791     247.827     
1 1 1 20 4  30 o 33.6741 5.15715 5.7983       2.61951  8.85991      2.60013  29.7377     74.4724     9.75681     254.472     
1 1 1 20 4  31 o 17.7935 5.10826 2.66253      2.36777  -1.01161     2.34562  12.2988     89.0014     2.5233      89.0014     
1 1 1 20 4  32 o 37.8197 5.11256 10.2918      2.89989  8.23678      2.83286  39.7903     187.608     1.73531     187.608     
1 1 1 20 4  33 o 43.4992 5.23222 13.1238      3.09566  11.7108      3.59535  51.7556     251.164     13.4245     251.165     
1 1 1 20 4  34 o 12.6288 4.26723 -2.7602      2.29266  -1.76749     2.37551  3.89937     133.707     2.02572     313.707     
1 1 1 20 4  35 o 22.5259 5.62213 4.95904      2.56871  1.94188      2.52949  25.4303     139.195     10.8026     139.195     
1 1 1 20 4  36 o 20.6109 5.74462 4.77248      2.93373  -0.0609571   2.92243  18.8361     310.355     1.24118     130.355     
1 1 1 20 4  37 o 19.6415 5.95093 0.749459     2.95081  3.409        3.50072  15.2174     327.492     9.74607     327.492     
1 1 1 20 4  38 o 17.1609 5.29756 -1.02057     2.7935   2.42623      2.73228  11.667      171.851     5.58516     171.851     
1 1 1 20 4  39 o 15.2233 4.9479  0.152209     2.88138  -0.471626    2.40336  5.62629     141.965     2.55377     141.965     
1 1 1 20 4  40 o 14.1378 4.73613 -3.49454     3.15184  -0.0533761   2.58206  11.0596     19.5061     2.71626     19.5061     
1 1 1 20 4  41 o 20.0466 5.73626 -0.14304     2.66519  5.91587      3.24011  19.9999     71.832      2.81591     71.832      
1 1 1 20 4  42 o 14.345  4.80618 0.70194      3.04194  -2.56537     2.58361  10.9726     235.988     2.12767     235.988     
1 1 1 20 4  43 o 16.1338 5.09628 -0.820365    2.52961  2.59323      2.7669   13.3489     37.6272     0.629579    217.627     
1 1 1 20 4  44 o 21.8865 5.59881 0.305189     2.64044  7.75958      3.01635  25.7403     37.936      16.4329     37.936      
1 1 1 20 4  45 o 13.3606 4.47962 -0.559927    2.47018  -1.07767     2.47861  5.15433     36.7107     0.212923    216.711     
1 1 1 20 4  46 o 15.1669 5.00831 0.685569     2.89023  -0.179614    2.89603  7.3814      3.63616     6.30393     183.636     
1 1 1 20 4  47 o 15.1596 5.00628 0.236171     2.88888  0.97685      2.89153  8.07736     324.981     1.40886     324.981     
1 1 1 20 4  48 o 17.1073 5.24855 3.69872      2.61614  1.28471      2.64051  14.0745     351.115     7.3047      351.115     
1 1 1 20 4  49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 5  0  o 34.3991 7.58273 8.27972      3.52085  8.27972      3.52085  35.9487     6.11186e-06 1.4065      180         
1 1 1 20 5  1  o 36.1007 6.29535 6.83857      3.47759  8.76236      3.50257  22.3441     159.237     27.2684     339.237     
1 1 1 20 5  2  o 25.8928 6.53191 3.42354      3.32126  3.51499      3.25287  9.71935     212.463     25.7962     32.4629     
1 1 1 20 5  3  o 46.7847 4.90029 15.3373      3.36457  10.087       3.35822  51.6062     31.1836     7.96706     31.1836     
1 1 1 20 5  4  o 17.3139 5.46322 -0.0746568   3.07535  -2.08757     2.90136  4.43201     255.973     32.1988     255.973     
1 1 1 20 5  5  o 75.2536 3.65987 29.5671      4.47583  33.7388      3.86874  77.1406     236.063     8.29089     56.0627     
1 1 1 20 5  6  o 44.491  5.57479 13.0127      3.73866  10.2669      3.60752  44.9733     277.568     0.996011    97.5681     
1 1 1 20 5  7  o 63.2198 4.17245 17.4051      3.9117   28.3656      3.89257  75.4206     271.758     16.3223     271.758     
1 1 1 20 5  8  o 87.7804 3.31552 41.0849      4.4533   44.6849      4.4719   87.8441     141.425     15.3908     321.425     
1 1 1 20 5  9  f 38.9955 5.95235 9.98611      3.5155   8.24379      3.42922  55.7004     18.6221     0           0           
1 1 1 20 5  10 o 40.7992 5.71111 7.80803      3.19605  12.224       3.74544  36.5532     54.4762     11.1411     234.476     
1 1 1 20 5  11 o 37.2089 5.58589 7.43393      3.0663   9.12411      3.14144  35.9267     8.38792     3.80549     188.388     
1 1 1 20 5  12 o 27.2964 6.16936 3.35578      2.92117  5.32146      3.00919  21.0416     19.4279     10.0996     199.428     
1 1 1 20 5  13 o 30.9573 6.08062 7.00114      2.92468  4.55075      3.20262  20.8403     297.858     21.246      117.858     
1 1 1 20 5  14 o 52.0866 4.71616 20.0216      3.4178   11.907       3.64954  48.4995     8.52491     14.4709     188.525     
1 1 1 20 5  15 o 49.17   4.59486 15.2601      3.17774  12.8389      3.5293   44.2608     353.653     16.3976     173.653     
1 1 1 20 5  16 o 61.0923 3.72989 21.5682      3.4441   20.7723      3.50226  83.0834     244.876     35.7991     244.876     
1 1 1 20 5  17 o 62.6127 3.60662 21.2392      3.43856  23.199       3.45054  80.522      351.143     26.9495     351.143     
1 1 1 20 5  18 o 28.8821 6.02573 3.65109      2.9063   6.56073      2.96473  32.8139     224.858     19.1615     224.858     
1 1 1 20 5  19 o 18.5774 5.5247  1.56801      2.74756  -0.52168     2.71935  10.8599     108.111     5.62253     288.111     
1 1 1 20 5  20 o 26.1809 5.65014 5.06993      2.51625  3.24196      2.53632  24.04       4.3788      15.3184     4.3788      
1 1 1 20 5  21 o 28.2554 5.02438 1.04748      2.58041  8.39359      2.51348  33.1787     312.135     14.3888     312.135     
1 1 1 20 5  22 o 50.8964 3.82448 14.2968      2.89914  15.6029      3.00306  54.64       228.465     1.09334     228.465     
1 1 1 20 5  23 o 17.0139 5.05534 -1.49952     2.35279  1.79616      2.39196  10.6545     323.619     3.33334     143.619     
1 1 1 20 5  24 o 39.0873 4.88258 10.5648      2.81075  8.038        2.82438  37.7927     273.422     6.5247      93.4223     
1 1 1 20 5  25 o 16.0172 4.94433 1.08021      2.38061  -1.91292     2.42498  0.736514    70.0165     29.4633     250.017     
1 1 1 20 5  26 o 46.0658 4.69349 9.9681       3.31806  15.9687      2.80063  55.9486     141.216     14.6557     141.216     
1 1 1 20 5  27 o 29.199  5.41936 3.94676      2.59172  7.03207      2.49299  32.834      84.9769     7.56197     84.9769     
1 1 1 20 5  28 o 41.8442 4.44988 8.54547      2.73089  12.9599      2.71291  34.6962     215.134     18.7309     35.1336     
1 1 1 20 5  29 o 27.9732 5.35707 1.50501      2.51438  8.76232      2.88279  15.7927     178.998     25.4076     358.998     
1 1 1 20 5  30 o 27.3475 5.82221 5.84136      2.53456  4.08319      2.89984  21.5594     275.232     11.3041     95.232      
1 1 1 20 5  31 f 25.9578 5.77192 3.76312      2.53424  5.28486      2.65102  36.52       359.699     0           0           
1 1 1 20 5  32 o 22.5334 5.64458 4.61232      2.5659   1.70383      2.57077  21.3126     184.058     1.6615      184.058     
1 1 1 20 5  33 o 29.1902 5.9622  5.16434      2.90668  7.02196      2.82609  23.8908     153.976     10.9376     333.976     
1 1 1 20 5  34 o 21.6467 5.75106 3.31233      2.60695  2.93495      2.59564  22.7515     187.942     8.23011     187.942     
1 1 1 20 5  35 o 17.0905 5.2439  -3.24866     3.06014  2.6716       2.69516  14.7678     94.2197     5.24365     94.2197     
1 1 1 20 5  36 o 28.4484 7.09753 7.44558      4.08547  6.7577       3.66084  29.3887     237.429     2.62514     237.429     
1 1 1 20 5  37 o 15.4729 5.04598 -0.79987     3.0212   -0.193869    2.58802  8.24541     311.185     3.39013     311.185     
1 1 1 20 5  38 o 16.5985 5.11748 -0.159801    2.52286  1.81423      2.49142  13.2145     7.90795     0.672824    7.90794     
1 1 1 20 5  39 o 21.1581 5.65715 5.1036       2.70583  1.31659      2.70248  23.9489     145.966     11.518      145.966     
1 1 1 20 5  40 o 17.3464 5.38344 -0.782018    2.96984  2.86065      2.82794  13.6283     44.4024     5.1121      224.402     
1 1 1 20 5  41 o 22.527  5.80619 4.95275      2.64876  3.66997      2.62159  27.7954     44.042      17.4443     44.042      
1 1 1 20 5  42 o 16.442  5.14047 0.805776     2.56473  1.69324      2.57592  11.979      340.971     5.46477     160.971     
1 1 1 20 5  43 o 18.6462 5.47761 1.932        2.5921   3.41987      2.63696  18.7663     338.719     6.02101     338.719     
1 1 1 20 5  44 o 20.2802 5.34846 -0.0560579   2.64061  6.09759      2.63319  17.5716     109.586     2.67844     289.586     
1 1 1 20 5  45 o 13.4696 4.50527 -0.805104    2.46711  -0.620885    2.478    5.85427     208.813     6.59386     28.8129     
1 1 1 20 5  46 o 18.1574 5.43613 3.35258      2.58943  1.87208      2.75243  4.11157     334.593     2.06683     334.593     
1 1 1 20 5  47 o 15.7926 5.104   -1.84484     2.83736  3.6533       2.98478  11.0278     170.218     2.27077     170.218     
1 1 1 20 5  48 o 13.8118 4.71372 0.311654     2.8471   -2.01518     3.30657  9.9967      259.556     1.83254     259.556     
1 1 1 20 5  49 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 6  0  o 53.7132 5.17404 16.8661      4.0551   16.8661      4.0551   36.6783     180         45.1132     8.65154e-06 
1 1 1 20 6  1  o 24.8506 6.36207 0.0490985    3.47536  5.08591      3.32627  10.8797     269.467     0.869434    269.467     
1 1 1 20 6  2  o 21.4182 6.1325  3.17484      3.47463  -1.37917     3.14852  6.28208     302.516     4.21247     122.516     
1 1 1 20 6  3  o 58.0788 4.33911 20.2781      3.77195  18.0046      3.85207  73.5972     316.036     25.4958     316.036     
1 1 1 20 6  4  o 26.8461 6.18129 4.8488       3.07434  3.36525      2.81601  19.6431     22.1636     3.9265      202.164     
1 1 1 20 6  5  o 21.8994 5.88699 2.16982      2.75377  2.03933      2.73107  3.73022     216.433     30.654      36.433      
1 1 1 20 6  6  o 44.9802 4.39533 11.9576      3.01631  11.2137      2.91004  39.3549     158.087     15.2659     338.087     
1 1 1 20 6  7  o 43.9213 4.6742  10.62        3.17512  11.6528      2.92583  28.7667     120.62      34.98       300.62      
1 1 1 20 6  8  o 37.3205 5.50007 11.7151      3.04082  5.18094      3.13861  23.6979     163.808     29.7654     343.808     
1 1 1 20 6  9  o 62.297  4.02813 20.7969      3.52959  23.1688      4.11304  64.0075     216.756     5.79413     36.7564     
1 1 1 20 6  10 o 56.3261 4.18314 14.6071      3.31112  21.8822      3.79776  70.6176     16.1849     21.7082     16.1849     
1 1 1 20 6  11 o 90.938  3.00328 48.5631      3.85213  43.4676      4.46411  108.135     283.984     18.4098     283.984     
1 1 1 20 6  12 o 17.6932 5.31431 0.600812     2.55828  0.0250376    2.4956   7.94779     104.197     5.76134     284.197     
1 1 1 20 6  13 o 40.1955 4.74054 10.6708      2.85178  8.32668      2.78934  38.6399     279.829     6.68883     99.8286     
1 1 1 20 6  14 o 112.542 2.48858 66.6486      4.29393  73.5618      4.31379  122.147     197.122     1.14902     17.1219     
1 1 1 20 6  15 o 43.8332 4.60629 10.4038      3.18077  12.0513      2.77991  44.1299     122.283     3.94792     302.283     
1 1 1 20 6  16 o 44.0615 4.95535 8.87866      3.18427  14.3628      3.17966  43.9123     67.5784     4.82999     247.578     
1 1 1 20 6  17 o 21.8671 6.04957 2.61995      3.13357  1.5523       2.78698  9.04186     150.429     23.2478     330.429     
1 1 1 20 6  18 o 24.6043 5.89523 1.25512      2.84626  5.28625      2.85215  17.7983     73.0424     11.224      253.042     
1 1 1 20 6  19 o 30.2404 5.99633 4.51482      2.94317  6.92057      2.9542   19.2013     358.978     23.1203     178.978     
1 1 1 20 6  20 o 24.7229 6.07467 3.59202      2.8342   3.53387      2.82377  24.7209     209.369     9.70314     209.369     
1 1 1 20 6  21 o 34.1806 5.8835  8.10417      2.99928  6.59054      3.15882  32.9189     356.464     3.75639     176.464     
1 1 1 20 6  22 o 42.2433 4.58848 8.0858       2.68282  13.4703      3.03216  53.5495     68.0635     19.4586     68.0635     
1 1 1 20 6  23 o 34.1655 5.13277 8.79565      2.59523  5.68438      2.65589  41.0704     264.896     12.729      264.896     
1 1 1 20 6  24 o 17.2752 5.24247 -0.0301779   2.3807   0.778472     2.62471  13.7237     330.168     0.490032    330.167     
1 1 1 20 6  25 o 41.7828 4.51006 9.56455      2.74836  11.5001      2.86147  37.2817     144.693     13.8962     324.693     
1 1 1 20 6  26 o 31.5573 5.81062 5.14568      2.67453  7.97441      3.07742  34.4197     54.874      5.02876     54.874      
1 1 1 20 6  27 f 31.339  5.74845 8.0199       2.67546  4.83154      3.11292  38.7109     354.019     0           0           
1 1 1 20 6  28 o 25.4227 5.64729 1.41584      2.99063  6.29955      2.58611  13.0283     125.257     24.9941     305.257     
1 1 1 20 6  29 o 20.3852 5.55005 2.50957      2.52713  1.97113      2.39176  12.9324     68.153      6.99681     68.153      
1 1 1 20 6  30 o 31.446  5.37011 7.47164      2.56569  5.52077      2.61102  30.2518     48.0319     2.80665     228.032     
1 1 1 20 6  31 o 22.6722 5.68526 2.88312      2.50148  3.70718      2.49279  21.8539     70.1674     3.151       70.1674     
1 1 1 20 6  32 o 18.7443 5.33877 -0.9264      2.58262  3.33234      2.57493  14.548      61.6403     5.70351     61.6403     
1 1 1 20 6  33 o 14.1544 4.64213 -3.6652      2.55919  0.286094     2.48191  7.08376     173.59      1.40741     353.59      
1 1 1 20 6  34 o 22.3355 6.15781 1.94514      3.6285   4.37531      2.83356  18.7329     281.097     5.10154     101.097     
1 1 1 20 6  35 o 21.6078 6.03051 0.823726     3.13295  5.07703      3.1588   14.3342     292.383     13.6027     112.383     
1 1 1 20 6  36 o 16.8724 5.31919 0.231326     2.79026  0.873036     2.81902  10.1271     202.354     5.526       202.354     
1 1 1 20 6  37 o 15.8961 5.04246 1.8076       2.71798  -1.99543     2.60015  11.8998     132.515     2.66877     132.515     
1 1 1 20 6  38 f 19.1944 5.70173 1.90769      3.13238  2.58955      2.63792  10.628      127.462     0           0           
1 1 1 20 6  39 o 16.6936 5.17951 1.47116      2.53367  0.739496     2.59433  12.4941     126.259     5.41902     306.259     
1 1 1 20 6  40 o 21.2832 5.3618  6.03827      2.5772   0.197747     2.63709  22.0738     282.479     3.72265     282.479     
1 1 1 20 6  41 o 17.107  5.20583 2.60995      2.52734  0.483238     2.54101  13.9417     58.2301     2.90058     238.23      
1 1 1 20 6  42 o 20.0542 5.41244 5.52597      2.62835  0.084778     2.70317  21.2788     68.9316     13.4413     68.9316     
1 1 1 20 6  43 o 13.2123 4.44863 -0.73928     2.49932  -1.41958     2.48464  5.91688     248.718     10.892      68.7178     
1 1 1 20 6  44 f 22.1449 5.60645 1.785        2.72689  6.7611       2.70885  20.8352     13.7697     0           0           
1 1 1 20 6  45 o 13.6154 4.54086 0.693501     2.55082  -2.32194     2.47924  5.28093     265.327     6.04032     85.3266     
1 1 1 20 6  46 o 17.6389 5.33464 3.25679      2.60061  1.56261      2.62073  13.5388     310.885     3.25223     310.885     
1 1 1 20 6  47 o 14.8123 4.8159  1.50169      2.52308  0.355443     2.53895  10.5816     17.0004     0.164139    197         
1 1 1 20 6  48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 7  0  o 28.8156 7.92202 6.41651      3.34752  6.41651      3.34752  29.2553     180         0.806683    8.65124e-06 
1 1 1 20 7  1  o 25.6801 6.40093 4.63127      3.21505  2.23562      3.21224  0.41586     63.383      51.2132     63.3831     
1 1 1 20 7  2  o 25.6234 6.27206 4.3191       3.00147  2.74187      3.09768  18.8426     339.153     3.03267     159.153     
1 1 1 20 7  3  o 59.544  3.96761 20.4072      3.52929  19.6423      3.65519  71.1366     353.652     16.0148     353.652     
1 1 1 20 7  4  f 68.8765 3.82515 27.9031      3.68062  25.4898      4.29933  75.9742     247.554     0           0           
1 1 1 20 7  5  o 60.4902 3.57928 18.9577      3.2292   22.1869      3.37079  55.7372     22.4532     18.2699     202.453     
1 1 1 20 7  6  o 43.2343 4.74794 10.1049      2.96928  11.6005      3.14653  61.7239     200.352     47.7973     200.352     
1 1 1 20 7  7  o 104.01  2.68719 58.2891      4.43415  61.3906      4.1437   122.505     331.904     18.5699     331.904     
1 1 1 20 7  8  o 83.6108 3.06785 37.9072      3.92916  39.9109      3.94184  85.8646     120.092     9.78399     300.092     
1 1 1 20 7  9  o 25.9518 6.19642 3.74758      2.90163  3.90841      2.97506  5.00165     102.422     42.2488     282.422     
1 1 1 20 7  10 o 61.5773 3.99931 18.0683      3.43941  25.3214      4.05612  92.4578     169.439     54.838      169.439     
1 1 1 20 7  11 o 33.1852 5.70505 7.84901      2.73064  5.48448      3.11141  40.8617     316.721     18.9961     316.721     
1 1 1 20 7  12 o 40.5075 4.91978 11.1262      3.06259  8.31506      2.84292  44.7269     89.192      5.7054      89.192      
1 1 1 20 7  13 o 112.42  2.50168 66.926       4.33414  73.0302      4.30897  127.964     222.782     11.3432     222.782     
1 1 1 20 7  14 o 39.7385 4.87938 10.4426      2.94715  8.29494      2.80019  44.3813     163.046     6.87861     163.046     
1 1 1 20 7  15 o 48.0049 3.92197 13.6675      2.84467  12.7816      2.84392  54.858      129.94      8.56227     129.94      
1 1 1 20 7  16 o 35.0876 5.13783 8.90197      2.70125  6.04553      2.67451  35.5909     136.933     0.229928    316.934     
1 1 1 20 7  17 o 46.8384 4.03809 13.6819      2.88505  11.7249      2.80898  51.4933     82.0183     4.36438     82.0183     
1 1 1 20 7  18 o 62.5924 3.30543 21.3733      3.19775  22.9948      3.12048  79.4083     350.461     25.3119     350.461     
1 1 1 20 7  19 o 15.1628 4.93776 -2.63895     2.69035  -0.784115    2.68667  5.07922     19.0347     7.74576     199.035     
1 1 1 20 7  20 o 54.6525 4.06662 17.9724      3.39562  16.691       3.34428  65.8579     74.0519     15.9604     74.0519     
1 1 1 20 7  21 o 39.3236 5.27986 8.4111       3.10873  10.5734      3.03653  43.3756     178.701     5.37788     178.701     
1 1 1 20 7  22 o 30.4925 5.86447 3.83908      2.93628  7.98564      2.95418  20.9323     343.928     20.7771     163.928     
1 1 1 20 7  23 o 38.0138 5.48247 10.1575      3.17429  7.97291      3.0304   27.3387     82.6844     25.3113     262.684     
1 1 1 20 7  24 o 59.073  3.86744 21.6462      3.14324  19.081       3.71706  67.4377     338.136     8.78308     338.137     
1 1 1 20 7  25 o 18.8609 5.40219 1.51896      2.38923  1.29422      2.49227  16.8211     11.1744     4.63248     11.1744     
1 1 1 20 7  26 f 23.8512 5.33741 5.81005      2.47035  0.637224     2.56524  13.648      221.896     0           0           
1 1 1 20 7  27 o 13.2263 4.39464 -2.41972     2.2559   -1.3188      2.31974  2.60345     49.6036     1.64325     229.604     
1 1 1 20 7  28 o 14.7929 4.73101 -2.35162     2.36054  0.425934     2.3855   4.75695     139.835     14.5555     319.835     
1 1 1 20 7  29 o 20.4122 5.5607  1.45672      2.46834  2.96571      2.52919  17.1201     147.929     0.716803    327.929     
1 1 1 20 7  30 o 51.7853 3.84695 14.3805      3.06073  17.7892      2.92128  50.8696     63.6539     7.11796     243.654     
1 1 1 20 7  31 o 18.2968 5.44251 0.839069     2.85438  1.53957      2.39795  14.1232     141.442     3.27349     141.442     
1 1 1 20 7  32 o 18.094  5.57376 -0.828226    3.08795  2.00464      2.91877  12.1163     59.2394     7.43276     239.239     
1 1 1 20 7  33 o 23.4564 6.27216 2.44695      3.21025  5.24863      3.18436  18.6176     41.7232     8.01559     221.723     
1 1 1 20 7  34 o 22.1442 6.08494 3.46891      2.90865  3.45931      3.04288  23.5552     277.847     6.88849     277.847     
1 1 1 20 7  35 o 29.3937 6.07748 5.22092      2.94392  8.18981      3.03439  18.8143     61.6779     22.2697     241.678     
1 1 1 20 7  36 o 21.3979 6.02764 1.96505      3.17916  4.31055      2.96947  23.1341     257.007     11.2225     257.007     
1 1 1 20 7  37 o 16.3806 5.15002 1.77919      2.64716  -1.00111     2.72728  10.1008     194.756     8.46419     14.7563     
1 1 1 20 7  38 o 16.0107 5.04197 0.873318     2.46769  0.397618     2.56151  13.0243     127.212     5.185       127.212     
1 1 1 20 7  39 o 32.6589 5.53269 6.56313      2.82033  10.0507      2.77244  34.8233     355.085     3.42652     355.085     
1 1 1 20 7  40 o 19.7719 5.44667 0.728592     2.56917  4.7918       2.60242  10.4197     93.8623     17.7108     273.862     
1 1 1 20 7  41 o 16.3134 5.10598 0.206937     2.55012  2.02455      2.5821   14.3598     50.7849     2.44553     50.7849     
1 1 1 20 7  42 o 19.7832 5.68125 2.02942      3.00595  4.28769      2.64881  19.2502     163.449     3.0369      163.449     
1 1 1 20 7  43 o 14.5792 4.75763 0.646198     2.48541  -0.349049    2.5154   9.37756     228.806     5.72432     48.8063     
1 1 1 20 7  44 o 14.3769 4.69585 1.38321      2.48918  -1.7083      2.52111  5.71822     321.767     0.442235    321.767     
1 1 1 20 7  45 o 15.553  4.96727 0.29219      2.55237  1.6386       2.54635  6.71793     331.001     0.604942    331.001     
1 1 1 20 7  46 f 16.0661 5.07613 1.37801      2.53933  2.00458      2.59652  7.92326     33.235      0           0           
1 1 1 20 7  47 o 13.749  4.59651 -0.434265    2.49891  0.490173     2.63202  9.23512     117.701     2.98636     297.701     
1 1 1 20 7  48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 8  0  f 126.02  2.80865 87.4055      5.43811  87.4055      5.43811  159.318     180         0           0           
1 1 1 20 8  1  o 22.7554 6.10991 0.793856     2.9781   3.59819      3.09749  13.8661     162.636     11.1016     342.636     
1 1 1 20 8  2  o 32.4857 5.84265 2.0148       3.29913  10.5026      3.30242  26.4111     331.113     12.0884     151.113     
1 1 1 20 8  3  o 63.5199 3.71797 25.0811      3.59385  20.4937      3.58272  70.319      129.692     4.5455      129.692     
1 1 1 20 8  4  o 23.1269 5.81353 0.0852782    2.89292  4.59093      2.80516  14.8826     242.947     11.5302     62.947      
1 1 1 20 8  5  o 31.2342 5.57033 2.72002      2.98815  8.89556      2.82064  19.3463     167.378     24.8666     347.378     
1 1 1 20 8  6  o 67.9244 3.39696 28.0782      3.55621  23.7475      3.48891  95.3816     298.654     45.6856     298.654     
1 1 1 20 8  7  o 103.251 2.77087 63.6748      4.4395   54.7277      4.34279  138.567     184.404     53.1979     184.404     
1 1 1 20 8  8  o 58.8615 3.92328 16.3729      3.45399  23.2798      3.47644  46.2087     310.066     34.0818     130.066     
1 1 1 20 8  9  o 20.3077 5.50409 3.98432      2.80091  -3.86441     3.10858  13.4899     138.107     2.77144     318.107     
1 1 1 20 8  10 f 86.4357 3.01938 41.9         4.02781  41.4449      3.98503  76.8512     331.76      0           0           
1 1 1 20 8  11 o 29.8424 5.7385  6.95643      2.706    3.81215      2.88045  34.7223     151.434     20.4705     151.434     
1 1 1 20 8  12 o 37.325  5.18109 7.34812      2.7935   9.38669      2.95066  47.4237     306.939     20.6971     306.939     
1 1 1 20 8  13 o 45.3517 4.31617 13.4834      2.8886   10.4732      2.93177  45.911      217.537     3.50782     37.5373     
1 1 1 20 8  14 o 87.4132 2.76093 44.2877      3.72168  40.8926      3.68893  106.82      286.156     25.1006     286.156     
1 1 1 20 8  15 o 50.5915 3.9475  17.6453      3.00117  12.0485      2.94847  51.2351     133.446     4.72062     313.446     
1 1 1 20 8  16 o 48.226  4.28014 15.81        3.0944   11.4473      3.0478   40.5862     221.926     21.0572     41.9263     
1 1 1 20 8  17 o 29.6223 5.51041 4.11487      2.57697  6.76197      2.60931  9.55927     235.326     41.7956     55.3256     
1 1 1 20 8  18 o 51.0137 3.91068 14.0852      3.11041  15.9914      2.8993   39.8865     313.488     28.7525     133.488     
1 1 1 20 8  19 o 20.4961 5.67209 1.06019      2.44235  2.63172      2.79069  10.6409     245.182     16.5624     65.1824     
1 1 1 20 8  20 o 41.2587 4.89449 7.40167      2.81723  13.5175      3.09466  27.3103     278.083     32.3688     98.0833     
1 1 1 20 8  21 o 26.3173 5.82883 3.54275      2.59365  5.09647      2.70218  15.1357     267.521     22.9245     87.5206     
1 1 1 20 8  22 o 28.6133 6.09498 6.66309      2.95458  3.77675      3.03041  23.1933     16.2607     11.699      196.261     
1 1 1 20 8  23 o 28.9872 6.01217 8.18681      3.18275  2.61764      2.99093  11.7197     140.42      36.577      320.42      
1 1 1 20 8  24 o 58.4507 3.87417 19.5483      3.44291  20.5447      3.44791  63.8178     324.28      3.403       324.28      
1 1 1 20 8  25 o 21.7616 5.93771 3.53123      2.86669  1.33788      2.89811  21.318      182.641     5.67594     182.641     
1 1 1 20 8  26 o 15.3075 4.955   0.325361     2.69315  -3.49329     2.77299  5.00499     344.6       0.0782272   344.6       
1 1 1 20 8  27 o 12.7918 4.34993 -3.28705     2.75557  -2.59021     2.24654  2.62996     290.924     12.0498     110.924     
1 1 1 20 8  28 o 35.8711 5.5285  8.75056      3.15435  8.11812      2.78046  46.0433     47.3262     20.9297     47.3262     
1 1 1 20 8  29 f 13.5173 4.46514 -1.12428     2.27643  -2.03913     2.33805  2.61178     87.5555     0           0           
1 1 1 20 8  30 o 18.4231 5.36588 1.96495      2.45981  0.840887     2.49198  13.9342     29.7579     4.05671     29.7579     
1 1 1 20 8  31 f 17.4997 5.48818 0.805844     3.00676  -0.0402952   2.88504  30.1329     348.993     0           0           
1 1 1 20 8  32 o 20.1339 6.08072 2.772        3.28766  0.861399     3.48181  17.5151     351.523     0.31245     171.523     
1 1 1 20 8  33 f 32.0557 5.52524 9.55072      2.78413  5.26987      2.78348  28.3307     42.7675     0           0           
1 1 1 20 8  34 o 22.2064 5.83778 2.98493      2.8498   4.0588       2.55842  10.6795     102.782     22.8017     282.782     
1 1 1 20 8  35 o 16.268  5.10128 -2.40147     2.66147  2.22642      2.73747  13.4568     37.0867     2.47191     37.0867     
1 1 1 20 8  36 o 20.4787 6.03882 4.21059      3.33093  1.24526      3.12258  11.447      74.5014     16.0993     254.501     
1 1 1 20 8  37 o 21.858  5.91853 3.51639      2.76562  3.97687      2.80728  19.5198     12.6097     2.14856     192.61      
1 1 1 20 8  38 o 15.1156 4.86627 0.370277     2.52075  -0.100975    2.45996  12.6784     167.371     0.387819    167.371     
1 1 1 20 8  39 o 23.694  5.78306 3.20134      2.65459  6.20451      2.69143  24.0559     78.8848     2.38806     78.8848     
1 1 1 20 8  40 o 17.4261 5.18742 3.51116      2.54772  -0.356354    2.50429  15.4231     131.656     0.17146     131.655     
1 1 1 20 8  41 o 16.7951 5.17016 0.071179     2.55086  2.74773      2.59518  12.4577     188.911     5.08302     8.91104     
1 1 1 20 8  42 o 16.2529 5.09501 1.43284      2.51506  1.29294      2.55378  13.0869     31.6059     1.51227     211.606     
1 1 1 20 8  43 o 16.1646 4.98937 3.28763      2.50444  -2.02041     2.73386  11.4124     100.792     3.44733     280.792     
1 1 1 20 8  44 o 18.7734 5.57925 3.74883      2.82848  2.15055      2.67004  11.3324     336.28      4.83905     336.28      
1 1 1 20 8  45 o 17.5616 5.31188 3.59039      2.61791  0.989909     2.64977  13.5577     153.63      1.34392     153.63      
1 1 1 20 8  46 o 13.8759 4.62429 -0.186044    2.50517  0.411651     2.61459  8.82172     270.751     1.21014     90.7508     
1 1 1 20 8  47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 9  0  o 80.4722 2.94295 35.8816      3.62446  35.8816      3.62446  86.2362     2.79387e-06 3.21843     180         
1 1 1 20 9  1  o 44.6361 4.78535 14.5219      3.00963  9.00989      3.17326  21.5987     84.8694     51.6291     264.869     
1 1 1 20 9  2  o 23.1397 6.27695 0.018853     3.20167  4.18179      3.3962   10.5888     120.13      22.4345     300.13      
1 1 1 20 9  3  o 25.7346 6.49195 5.19787      3.5959   1.96826      3.02973  20.4198     135.776     6.69077     315.776     
1 1 1 20 9  4  o 32.5468 5.96907 4.48399      3.24058  8.39763      2.99593  17.8084     359.932     31.1198     179.932     
1 1 1 20 9  5  o 57.2307 3.91305 20.7492      3.47692  16.6231      3.31417  51.3705     1.42641     19.5822     181.426     
1 1 1 20 9  6  o 31.9639 5.6793  5.04587      2.79699  7.41015      2.8389   5.91121     64.624      54.5474     244.624     
1 1 1 20 9  7  o 27.9275 5.70302 2.96711      2.74658  6.30629      2.65781  29.4608     324.884     16.8593     324.884     
1 1 1 20 9  8  o 81.6892 3.02608 35.9172      3.93234  38.6176      3.63141  86.8147     242.73      2.5056      62.7304     
1 1 1 20 9  9  o 20.2493 5.78797 2.56645      2.78331  -0.634238    3.08538  11.9505     171.138     1.6235      171.138     
1 1 1 20 9  10 o 20.8506 5.84368 -0.879278    2.8607   3.40305      3.07555  13.4346     236.46      7.95281     56.4602     
1 1 1 20 9  11 o 82.8964 3.06112 36.9284      3.65693  40.046       4.13051  102.881     251.27      27.5784     251.27      
1 1 1 20 9  12 o 31.5072 5.47643 8.94398      2.70216  3.16779      2.94609  12.8001     142.728     39.2831     322.728     
1 1 1 20 9  13 o 44.5203 4.75574 14.2936      2.91128  9.33608      3.20656  43.3752     1.02924     6.46706     181.029     
1 1 1 20 9  14 o 20.3545 5.35869 3.83289      2.53455  -1.02858     2.52967  13.0555     236.138     8.85668     56.1377     
1 1 1 20 9  15 o 50.4319 3.84631 13.9229      2.94379  15.3781      2.92723  64.0703     105.175     22.5628     105.175     
1 1 1 20 9  16 o 29.0493 5.84576 6.12977      2.63821  4.32968      2.9353   34.5331     61.0989     19.2584     61.0989     
1 1 1 20 9  17 o 42.4844 4.53596 11.0129      2.80528  10.3676      2.93553  44.0478     348.908     0.336245    168.908     
1 1 1 20 9  18 o 18.1591 4.87543 3.7866       2.44681  -5.02171     2.49877  12.5994     42.6047     1.86771     222.605     
1 1 1 20 9  19 o 15.1322 4.80543 -0.00605781  2.35354  -1.64        2.36572  6.0459      309.613     11.6688     129.613     
1 1 1 20 9  20 o 38.2666 4.77846 9.5777       2.7592   8.17741      2.66338  45.1233     199.116     11.2615     199.116     
1 1 1 20 9  21 o 24.2054 5.72523 3.66612      2.52163  3.50054      2.49638  17.9742     6.76115     12.2026     186.761     
1 1 1 20 9  22 o 23.5002 5.57139 1.64428      2.54528  4.79356      2.48649  23.0771     6.29654     1.2207      6.29655     
1 1 1 20 9  23 o 38.775  4.73304 8.18546      2.73681  10.3209      2.68351  47.6078     70.3815     15.4486     70.3815     
1 1 1 20 9  24 o 22.1986 5.89476 2.98407      3.02827  2.6674       2.4382   22.2896     275.164     10.1456     275.164     
1 1 1 20 9  25 o 25.1271 6.1219  3.41966      2.88384  4.78183      2.90212  27.4124     41.0729     10.4634     41.0729     
1 1 1 20 9  26 o 18.0636 5.505   1.58111      2.83789  -0.546884    2.81626  12.0977     323.699     5.37109     143.699     
1 1 1 20 9  27 o 21.1854 5.9082  3.16049      2.93101  1.52901      2.80021  7.02366     337.606     26.7977     157.606     
1 1 1 20 9  28 f 17.6019 5.43202 0.985147     2.78547  -0.144468    2.79781  7.87022     247.319     0           0           
1 1 1 20 9  29 o 22.8976 5.96083 4.09492      2.83958  2.69021      2.7316   21.7842     157.695     2.5457      157.695     
1 1 1 20 9  30 o 33.0152 6.02859 7.85011      3.02617  7.69315      3.14835  43.8523     70.544      24.5179     70.544      
1 1 1 20 9  31 o 16.9918 5.39781 0.9708       2.95763  -0.92385     2.99544  7.54058     359.029     3.31912     359.029     
1 1 1 20 9  32 o 24.4619 6.12447 4.46482      2.85736  4.50167      2.9118   28.627      73.1226     13.1572     73.1226     
1 1 1 20 9  33 o 23.2313 5.9854  4.23293      2.81944  3.83255      2.73638  19.7019     184.544     5.83219     4.544       
1 1 1 20 9  34 o 18.6506 5.36707 4.62829      2.95038  -2.2096      2.52516  14.6742     167.591     8.94356     167.591     
1 1 1 20 9  35 o 30.428  6.03716 10.1989      3.19888  4.6086       3.10492  35.81       125.716     12.342      125.716     
1 1 1 20 9  36 o 18.0464 5.37385 -0.407644    2.6701   3.32982      2.70526  15.9802     167.643     7.45467     167.643     
1 1 1 20 9  37 o 17.5088 5.34032 1.4246       2.52058  1.76303      2.71899  9.18994     204.973     6.07961     204.973     
1 1 1 20 9  38 o 23.6168 5.87991 6.36106      2.67406  2.69412      3.22712  28.1482     105.435     12.4012     105.435     
1 1 1 20 9  39 f 18.0419 5.09751 4.78672      2.58083  -2.36487     2.568    7.7267      247.622     0           0           
1 1 1 20 9  40 o 15.0821 4.90156 0.591269     2.61931  -0.139562    2.59979  9.43453     90.5784     4.23316     90.5784     
1 1 1 20 9  41 o 15.864  5.00959 2.16395      2.56049  -0.306688    2.5417   12.54       147.686     1.55268     327.686     
1 1 1 20 9  42 o 17.8932 5.38013 3.08999      2.61114  1.6067       2.62888  16.2353     166.188     6.15047     166.188     
1 1 1 20 9  43 o 17.4067 5.32605 1.4698       2.55171  2.76412      2.71041  12.7079     1.83649     1.46434     1.83649     
1 1 1 20 9  44 o 15.8916 5.03837 1.75302      2.54423  0.727736     2.58479  7.68783     231.256     1.29478     231.256     
1 1 1 20 9  45 o 13.6165 4.53974 1.09594      2.48828  -1.92674     2.58061  7.51611     318.422     2.73805     138.422     
1 1 1 20 9  46 o 12.4355 4.25322 -0.456054    2.50773  -2.12192     2.47604  4.75451     35.4792     1.3056      35.4792     
1 1 1 20 9  47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 10 0  o 39.4863 5.30538 9.59153      2.88739  9.59153      2.88739  59.3446     4.96543e-11 33.0992     4.96543e-11 
1 1 1 20 10 1  f 32.7254 5.67295 7.16319      2.88691  5.90705      2.79636  43.1883     207.634     0           0           
1 1 1 20 10 2  o 29.8722 5.98279 7.20018      3.01775  3.68506      2.91407  25.2162     172.057     8.25225     352.057     
1 1 1 20 10 3  o 49.6815 4.39965 14.8744      3.28866  13.6969      3.28988  55.9798     162.792     7.73724     162.792     
1 1 1 20 10 4  o 66.9966 3.54684 22.7245      3.60451  28.1144      3.62732  76.3651     127.937     9.71466     127.937     
1 1 1 20 10 5  o 53.0811 4.11964 16.2747      3.37831  16.0849      3.24486  53.458      111.704     5.40818     291.704     
1 1 1 20 10 6  o 23.0989 5.82772 0.266774     2.94754  4.57068      2.76707  15.4437     244.926     11.2679     64.9259     
1 1 1 20 10 7  o 21.8254 6.00143 2.35893      3.13136  1.87101      2.65493  8.40143     355.751     24.0734     175.751     
1 1 1 20 10 8  o 30.8229 6.18308 6.63864      3.22583  5.19112      2.9276   23.7269     248.908     14.039      68.908      
1 1 1 20 10 9  o 62.444  3.752   27.1803      3.5416   17.7249      3.47375  72.4924     129.571     12.3157     129.571     
1 1 1 20 10 10 o 21.2398 5.88269 1.84186      2.85107  2.04263      2.74792  11.2308     176.877     4.30061     176.877     
1 1 1 20 10 11 o 21.501  5.90956 1.6765       2.6005   2.52473      3.01156  10.3473     244.599     18.9965     64.5991     
1 1 1 20 10 12 o 20.9482 5.68773 0.15587      2.56527  3.48662      2.82313  5.05781     148.12      29.7333     328.12      
1 1 1 20 10 13 f 55.7018 3.91691 19.295       3.11018  16.4848      3.45211  44.45       355.151     0           0           
1 1 1 20 10 14 o 17.4861 5.22256 -1.828       2.48155  1.92594      2.62768  8.46189     203.603     10.3628     23.6033     
1 1 1 20 10 15 o 44.927  4.35644 11.6766      2.86774  12.0504      3.00134  38.1176     270.453     18.0421     90.4534     
1 1 1 20 10 16 o 39.6138 5.00444 10.0894      2.84255  8.91433      3.02226  46.2951     53.6365     11.5129     53.6366     
1 1 1 20 10 17 o 24.7759 5.97945 3.73271      2.62137  3.61705      2.85878  15.6026     274.794     17.434      94.7941     
1 1 1 20 10 18 o 19.8164 5.50229 1.95622      2.44981  1.50175      2.46351  17.01       53.7098     6.44105     53.7098     
1 1 1 20 10 19 o 18.8442 5.40252 1.73229      2.4925   0.844415     2.40937  14.3232     98.1898     5.16991     278.19      
1 1 1 20 10 20 o 70.2578 3.40582 29.207       3.98195  27.4405      3.32654  81.5465     149.499     13.4816     149.499     
1 1 1 20 10 21 o 17.509  5.29242 1.94174      2.8167   -1.30061     2.39082  11.5601     62.0991     4.61025     62.0991     
1 1 1 20 10 22 o 29.3293 5.85261 5.24449      2.63994  6.0823       2.87848  35.1691     100.958     13.9289     100.958     
1 1 1 20 10 23 o 49.1067 3.94842 13.2144      2.93344  15.4561      2.90922  49.9763     74.3088     2.95692     254.309     
1 1 1 20 10 24 o 16.9313 5.12137 0.146554     2.41507  0.934991     2.35137  6.20281     140.478     45.0511     140.478     
1 1 1 20 10 25 o 25.057  5.73355 4.39988      2.53791  3.83978      2.51712  19.816      42.8083     8.72283     222.808     
1 1 1 20 10 26 o 22.5949 5.67981 3.6764       2.51606  2.67643      2.47637  18.2471     299.367     5.25396     119.367     
1 1 1 20 10 27 o 24.6048 5.99565 3.64764      3.02063  4.36656      2.55352  21.9304     80.255      2.24544     260.255     
1 1 1 20 10 28 o 27.1858 6.71912 3.92157      3.59796  6.77403      3.51695  22.7031     305.445     7.30176     125.445     
1 1 1 20 10 29 o 19.7584 5.885   -2.75615     3.4199   4.14634      3.3777   15.2224     190.449     4.24151     10.4487     
1 1 1 20 10 30 o 19.2091 5.73097 1.27626      2.85529  2.12695      2.95867  13.5484     109.347     7.28946     109.347     
1 1 1 20 10 31 o 21.3702 5.50574 5.18364      2.63311  0.14105      2.68222  21.3152     149.675     13.9333     149.675     
1 1 1 20 10 32 o 16.1459 5.07946 1.94642      2.68254  -2.47031     2.71714  13.6182     193.017     0.731976    193.017     
1 1 1 20 10 33 o 28.2005 5.9354  5.03495      2.77966  7.18139      2.83561  25.1672     125.425     5.71321     305.425     
1 1 1 20 10 34 o 14.4343 4.83046 -1.22757     2.84791  -1.78142     2.85389  4.11808     273.865     17.2738     93.8652     
1 1 1 20 10 35 o 14.8797 4.89994 -0.861694    2.59389  -0.445204    2.86353  10.1983     141.361     0.72361     141.361     
1 1 1 20 10 36 o 15.5295 5.0092  0.623506     2.67746  -0.374648    2.64511  12.7529     105.858     0.38962     105.858     
1 1 1 20 10 37 o 16.666  5.20352 0.947097     2.54364  1.35773      2.68893  14.6752     52.3245     0.0119446   52.3304     
1 1 1 20 10 38 o 15.9485 5.05921 0.508092     2.65515  1.06368      2.51304  11.9051     73.4624     4.25955     253.462     
1 1 1 20 10 39 o 15.4843 4.95442 1.2813       2.56957  -0.110182    2.52488  7.24842     288.195     13.6528     108.195     
1 1 1 20 10 40 o 16.4505 5.14664 1.44446      2.55859  1.35587      2.58751  13.7087     297.141     0.129463    117.141     
1 1 1 20 10 41 o 13.0169 4.39739 -0.470895    2.51381  -2.06752     2.44834  7.5465      352.186     4.13308     172.186     
1 1 1 20 10 42 o 13.2116 4.4489  -0.662193    2.52593  -1.35032     2.45739  4.40347     242.319     1.18268     62.3189     
1 1 1 20 10 43 o 13.8803 4.61886 0.297197     2.53993  -1.19433     2.56673  5.22829     149.779     3.19423     329.779     
1 1 1 20 10 44 o 18.4232 5.49078 3.4339       2.6529   2.84271      2.67759  15.6289     4.06543     2.66806     4.06543     
1 1 1 20 10 45 o 14.0153 4.64823 -0.711572    2.56161  1.14461      2.54968  8.53487     346.977     2.36534     346.977     
1 1 1 20 10 46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 11 0  o 11.9896 5.60753 -0.434842    2.69842  -0.434842    2.69842  7.6881      360         36.2153     360         
1 1 1 20 11 1  o 62.1914 3.45567 20.9666      3.31087  22.8158      3.24591  75.5485     223.67      19.4747     223.67      
1 1 1 20 11 2  o 41.5074 4.91101 7.75016      2.9643   12.9921      2.97795  43.705      231.583     1.9486      231.583     
1 1 1 20 11 3  o 50.8223 4.364   12.8966      3.29815  17.2451      3.32277  62.7721     278.625     19.6254     278.625     
1 1 1 20 11 4  o 30.8168 5.89373 8.34719      3.06655  3.40306      2.97103  23.3221     303.392     14.8833     123.392     
1 1 1 20 11 5  o 20.4745 5.68024 -0.845664    2.83789  3.30885      2.7942   14.4038     293.692     0.329066    113.692     
1 1 1 20 11 6  o 48.2187 4.47828 11.0047      3.2661   16.4015      3.0229   62.8076     296.207     26.0707     296.207     
1 1 1 20 11 7  o 53.2701 4.26575 11.1683      3.05539  22.7363      3.61968  58.584      255.604     5.19026     255.604     
1 1 1 20 11 8  o 17.0647 5.2035  2.04154      2.78695  -5.05045     2.9035   7.92034     126.735     6.74829     306.735     
1 1 1 20 11 9  o 72.7019 3.64521 28.5713      3.73685  31.7101      4.37033  89.9853     220.634     25.4566     220.634     
1 1 1 20 11 10 o 26.1067 6.44315 4.88344      3.34296  3.17032      3.06363  25.2565     217.795     3.91609     217.795     
1 1 1 20 11 11 o 28.9327 6.15666 5.73492      3.02927  4.77032      2.91437  24.8169     305.59      6.80186     125.59      
1 1 1 20 11 12 o 22.9759 5.89209 3.07609      2.7554   2.72803      2.61924  4.72629     157.616     2.87269     157.616     
1 1 1 20 11 13 o 79.7974 2.93288 36.1341      3.62665  35.4223      3.55648  77.8193     280.847     14.6812     100.847     
1 1 1 20 11 14 o 41.98   4.61153 10.7311      2.90754  10.2651      2.861    31.8468     109.66      24.0627     289.66      
1 1 1 20 11 15 o 40.4063 4.77592 8.28235      2.85781  11.464       2.82088  49.4044     146.175     16.0184     146.175     
1 1 1 20 11 16 o 64.9645 3.36722 26.0934      3.42546  22.1512      3.25841  71.5007     263.83      5.14582     263.83      
1 1 1 20 11 17 o 54.4916 4.43973 17.7211      4.1562   17.4776      3.02912  62.0871     171.849     9.31653     171.849     
1 1 1 20 11 18 o 87.6784 2.78671 44.8714      3.78045  41.7661      3.7233   107.921     345.289     29.0256     345.289     
1 1 1 20 11 19 o 50.7173 4.01332 18.0849      2.97332  12.4606      3.0525   54.618      205.872     2.60587     205.872     
1 1 1 20 11 20 o 40.7964 4.89686 9.18291      2.82511  11.441       3.10777  35.2634     246.099     14.3545     66.0989     
1 1 1 20 11 21 o 33.3654 5.50611 9.4941       2.7477   5.02466      2.95642  14.6737     84.9394     39.4928     264.939     
1 1 1 20 11 22 o 32.6107 5.32156 9.37277      2.72272  4.58347      2.65426  36.0205     224.876     7.24173     224.876     
1 1 1 20 11 23 o 50.7077 3.89794 14.0816      3.004    16.5677      2.95789  57.4174     102.375     9.3016      102.375     
1 1 1 20 11 24 o 24.2117 5.56643 5.41911      2.53627  1.94963      2.51823  22.0406     207.706     1.05118     27.7059     
1 1 1 20 11 25 o 14.4903 4.6859  -1.31461     2.40164  -0.562474    2.29773  5.56803     118.578     2.82804     298.578     
1 1 1 20 11 26 o 19.9362 5.66374 3.32367      2.8068   0.205407     2.7254   8.96195     98.2016     4.86302     98.2016     
1 1 1 20 11 27 o 17.8668 5.36589 2.48956      2.74055  -1.21458     2.67279  8.12552     126.2       15.9326     306.2       
1 1 1 20 11 28 o 24.288  5.88856 5.00689      2.59473  3.1442       2.86847  26.3531     124.296     9.44147     124.296     
1 1 1 20 11 29 o 23.1951 5.9023  3.24321      2.96613  4.2498       2.51492  25.032      291.083     9.01693     291.083     
1 1 1 20 11 30 o 18.4165 5.81797 1.09231      3.50792  0.595288     3.22553  16.5423     193.304     6.22111     193.304     
1 1 1 20 11 31 o 18.0786 5.7436  0.550571     3.2854   0.930338     3.38385  3.88259     130.799     2.56151     130.799     
1 1 1 20 11 32 o 18.4125 5.67756 -0.594903    3.13746  2.82116      3.12435  17.1005     43.6773     4.5628      43.6773     
1 1 1 20 11 33 o 16.1625 5.10778 0.903336     2.66765  -0.0102472   2.53789  11.7021     310.878     3.19854     310.878     
1 1 1 20 11 34 o 16.7665 5.32191 -1.5108      2.90735  2.19009      2.98763  8.33717     279.288     13.7552     99.2885     
1 1 1 20 11 35 o 16.1409 5.12527 1.25146      2.61119  -0.204567    2.74964  9.34078     323.531     5.24738     323.531     
1 1 1 20 11 36 o 15.2554 4.95909 -0.344145    2.65384  0.381136     2.69126  13.2898     159.776     1.8347      159.776     
1 1 1 20 11 37 o 17.216  5.21877 3.18827      2.62664  -0.421369    2.57528  14.8796     274.532     0.507083    94.5323     
1 1 1 20 11 38 o 16.2297 5.14347 1.78094      2.59551  0.0206747    2.81343  13.7967     275.753     1.59979     275.753     
1 1 1 20 11 39 o 16.1565 5.0143  -0.959038    2.545    2.77933      2.52049  11.9708     191.603     4.04636     11.6034     
1 1 1 20 11 40 f 15.7647 5.07292 1.31848      2.60448  0.303299     2.84359  10.5935     14.0997     0           0           
1 1 1 20 11 41 o 18.4555 5.50383 3.17074      2.69981  2.33234      2.66368  15.568      23.8592     3.68057     23.8592     
1 1 1 20 11 42 o 12.4752 4.28817 -3.73776     2.90877  -1.08149     2.44058  2.59033     62.1013     4.05135     242.101     
1 1 1 20 11 43 o 13.3889 4.49954 0.22431      2.55218  -1.62397     2.52102  5.53683     309.882     1.73598     129.882     
1 1 1 20 11 44 o 13.9935 4.62188 -1.32414     2.52976  1.55486      2.50332  6.86675     272.624     1.99273     272.624     
1 1 1 20 11 45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 12 0  o 21.0909 7.23782 3.83537      2.75079  3.83537      2.75079  12.5725     180         5.77402     180         
1 1 1 20 12 1  o 21.7328 5.98144 2.08         2.7163   2.23796      3.03956  15.1688     252.234     7.20278     72.2337     
1 1 1 20 12 2  o 38.6192 5.07971 7.14161      2.87268  11.0242      2.91182  42.9917     251.419     7.81306     251.419     
1 1 1 20 12 3  o 38.4263 5.51181 8.30006      2.88776  9.85267      3.41636  44.2264     194.349     11.198      194.349     
1 1 1 20 12 4  f 76.6968 3.68364 36.8761      3.92715  30.341       4.58009  71.3181     225.626     0           0           
1 1 1 20 12 5  o 24.3305 6.26257 1.68405      2.9094   4.75565      3.31563  22.5949     158.836     4.67678     158.836     
1 1 1 20 12 6  o 43.0766 5.12684 12.612       3.20273  9.82008      3.31045  63.9796     139.429     44.1119     139.429     
1 1 1 20 12 7  o 20.0507 5.52696 -0.560563    2.662    3.19556      2.6207   14.4718     318.962     0.556758    318.962     
1 1 1 20 12 8  o 56.1543 3.92005 15.3108      3.39613  21.2749      3.14539  62.7109     274.443     7.51493     274.443     
1 1 1 20 12 9  o 25.1069 5.7828  0.553242     2.96491  6.13381      2.84691  19.0706     113.768     9.4745      293.768     
1 1 1 20 12 10 o 17.0944 5.35523 0.761887     2.85563  -2.18055     2.88954  4.75751     298.57      20.0016     118.57      
1 1 1 20 12 11 o 23.0991 5.70662 4.83503      2.66659  0.412206     2.84947  15.0473     343.082     13.784      163.082     
1 1 1 20 12 12 o 20.3239 5.695   1.16722      2.75548  2.24186      2.58968  12.9296     48.3292     11.0542     228.329     
1 1 1 20 12 13 o 24.3069 5.93211 1.6312       3.15903  4.78301      2.61092  20.5776     21.2229     5.13849     201.223     
1 1 1 20 12 14 o 19.558  5.74416 2.26259      3.19305  0.121793     2.52105  15.082      306.543     4.32144     126.543     
1 1 1 20 12 15 o 25.3792 6.11468 5.03706      2.91122  2.79082      2.94067  25.9122     182.83      3.30499     182.83      
1 1 1 20 12 16 o 28.956  5.80654 4.82433      2.84247  5.95187      2.61599  37.4348     77.8904     20.1978     77.8904     
1 1 1 20 12 17 o 23.161  5.79148 2.00998      2.75381  4.18425      2.57008  16.7844     109.188     11.3523     289.188     
1 1 1 20 12 18 o 25.0794 5.49753 1.18734      2.7042   6.23277      2.57422  12.0751     180.647     26.0022     0.647189    
1 1 1 20 12 19 o 27.5514 5.73344 3.89608      2.66516  6.01294      2.62251  25.8881     56.7714     1.97608     236.772     
1 1 1 20 12 20 o 23.9283 5.89638 3.68434      2.80842  3.5723       2.52799  22.1089     281.642     0.245405    281.642     
1 1 1 20 12 21 o 27.8713 5.75415 4.6123       2.65193  5.73039      2.62127  28.1331     188.867     2.7976      188.867     
1 1 1 20 12 22 o 15.0727 4.82269 -0.680591    2.37693  -0.602011    2.42223  7.11164     220.285     5.7254      40.2849     
1 1 1 20 12 23 o 22.5608 5.69244 4.2093       2.55325  1.93425      2.59623  16.5828     312.776     8.76501     132.776     
1 1 1 20 12 24 o 17.8225 5.44284 0.0700675    2.79423  1.19397      2.7001   12.2579     13.7234     0.589888    193.723     
1 1 1 20 12 25 o 33.0838 5.70896 10.2897      3.04311  4.91792      2.95045  28.4521     222.88      9.46205     42.8803     
1 1 1 20 12 26 o 42.5176 5.04449 12.4031      3.24194  11.2058      3.12883  39.4919     311.087     8.24377     131.087     
1 1 1 20 12 27 o 21.9336 5.75249 4.35357      2.68983  1.88687      2.63299  17.5497     202.082     5.64099     22.0823     
1 1 1 20 12 28 o 26.7159 5.77905 4.90774      2.60465  5.48631      2.60092  30.1837     274.019     9.81105     274.019     
1 1 1 20 12 29 o 15.6702 5.01644 -0.151349    2.81693  -0.0311009   2.38181  11.2176     290.222     3.68037     290.222     
1 1 1 20 12 30 o 15.5037 4.95782 -2.17677     2.61303  1.29106      2.63413  11.5096     58.3511     2.75133     238.351     
1 1 1 20 12 31 o 17.4903 5.30674 2.26068      2.64884  0.0702416    2.57121  15.4553     157.495     4.37683     157.495     
1 1 1 20 12 32 o 19.3853 5.68107 4.33207      3.03419  -0.656092    2.95681  16.4577     271.341     0.883135    91.3412     
1 1 1 20 12 33 o 19.7268 6.03935 3.95715      3.39254  0.0707991    3.68905  13.7755     61.6688     8.75859     241.669     
1 1 1 20 12 34 f 17.1695 5.60886 2.6632       3.66557  -2.77279     3.49302  16.2715     320.243     0           0           
1 1 1 20 12 35 o 15.0259 4.93033 -0.190303    2.53905  -0.294318    2.9205   5.95481     71.7239     3.46784     71.7239     
1 1 1 20 12 36 o 15.015  4.8851  -0.341891    2.50308  0.483422     2.68908  8.58607     202.974     4.32622     202.974     
1 1 1 20 12 37 o 13.7431 4.54134 -2.67461     2.3986   0.897803     2.4863   9.17351     13.4811     2.72019     193.481     
1 1 1 20 12 38 o 21.3492 5.57661 6.34564      2.74799  1.04722      2.71166  18.8962     71.6538     1.96584     251.654     
1 1 1 20 12 39 o 15.9645 5.06642 1.3248       2.60632  0.931348     2.56931  11.6595     27.7772     3.86906     207.777     
1 1 1 20 12 40 o 17.8631 5.34195 1.01543      2.63135  3.54376      2.59387  9.32733     300.813     4.80707     300.813     
1 1 1 20 12 41 o 14.0206 4.62384 -1.22926     2.51234  0.694526     2.44797  5.02983     303.406     3.61102     123.406     
1 1 1 20 12 42 o 18.4665 5.51416 3.31318      2.67922  2.73031      2.71351  11.8555     277.675     5.73371     277.675     
1 1 1 20 12 43 o 13.7638 4.57774 1.06012      2.48597  -1.19473     2.56693  7.6021      20.0324     0.961487    20.0324     
1 1 1 20 12 44 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 13 0  o 10.3792 5.14122 -2.87641     3.08813  -2.87641     3.08813  13.622      8.65156e-06 46.1991     8.65156e-06 
1 1 1 20 13 1  o 52.0053 4.26501 16.0565      3.40058  15.5501      3.30413  64.5319     296.804     21.2407     296.804     
1 1 1 20 13 2  o 18.0839 5.41967 1.50933      2.66785  -0.76339     2.68477  6.61163     129.899     18.1034     309.899     
1 1 1 20 13 3  o 27.7146 5.86634 6.12318      2.76582  3.38138      2.78543  9.91417     187.344     35.7599     7.34378     
1 1 1 20 13 4  o 25.3568 6.11343 5.5924       3.08506  1.82528      2.91883  25.2773     75.7005     13.9103     75.7005     
1 1 1 20 13 5  o 45.5508 4.83264 14.826       3.30982  10.1933      3.18475  55.7473     242.364     18.02       242.364     
1 1 1 20 13 6  o 28.7923 6.13055 5.46609      2.97929  5.02725      2.9035   25.8889     302.837     4.26034     122.837     
1 1 1 20 13 7  o 21.444  5.87036 2.33186      2.86228  2.06193      2.65844  11.5459     25.586      17.0813     205.586     
1 1 1 20 13 8  o 29.1512 6.09507 7.4714       3.30314  3.47872      2.70465  22.0726     357.937     13.8553     177.937     
1 1 1 20 13 9  o 18.0087 5.59321 2.05894      3.45343  -3.16887     2.74814  12.1077     37.918      2.2305      37.9181     
1 1 1 20 13 10 o 22.3437 6.01919 3.65275      3.01119  1.35637      2.83755  17.9385     23.5548     5.61276     203.555     
1 1 1 20 13 11 o 71.8077 3.42643 27.6016      3.4802   31.4585      4.05569  81.7673     296.634     11.8272     296.634     
1 1 1 20 13 12 o 19.4384 5.46149 -2.43443     2.79989  3.58659      2.78504  17.727      195.407     2.48329     195.407     
1 1 1 20 13 13 o 14.8352 4.8229  -2.00557     2.47081  -0.71581     2.59584  4.3475      5.22827     17.6863     185.228     
1 1 1 20 13 14 o 39.4336 4.92337 8.42236      2.8979   10.7851      2.83302  37.7601     332.448     5.87058     152.448     
1 1 1 20 13 15 o 38.1321 5.01371 8.22676      2.85702  9.88383      2.80252  32.8382     273.561     12.8646     93.5615     
1 1 1 20 13 16 o 26.0256 5.78152 5.93893      2.73964  2.7366       2.63058  24.4451     353.133     1.09734     173.133     
1 1 1 20 13 17 o 18.2791 5.4006  1.39125      2.57108  0.68118      2.51683  8.71846     186.023     15.5119     6.02319     
1 1 1 20 13 18 o 53.848  3.93129 17.3809      3.39987  17.0614      3.01236  61.8574     26.0921     11.9372     26.0921     
1 1 1 20 13 19 o 48.8862 4.26186 16.6414      3.30816  12.427       2.95759  57.5031     353.677     14.3236     353.677     
1 1 1 20 13 20 o 30.7893 5.58951 8.57078      2.85538  4.14141      2.66668  31.668      326.896     3.19163     326.896     
1 1 1 20 13 21 o 53.2978 3.82813 17.6052      3.14585  16.1859      3.0495   68.9465     178.281     28.2392     178.281     
1 1 1 20 13 22 o 16.4779 5.08888 -3.38752     2.7398   1.92738      2.62456  9.42449     209.655     1.22933     29.655      
1 1 1 20 13 23 o 25.8465 6.20146 4.62669      3.00417  4.67153      2.8844   27.0947     117.886     7.43928     117.886     
1 1 1 20 13 24 o 71.6476 3.45025 33.7619      3.81363  27.1803      3.72383  86.5623     8.87627     24.0364     8.87628     
1 1 1 20 13 25 o 28.8391 5.79315 6.013        2.75662  5.81349      2.6297   30.8031     147.213     6.17302     147.213     
1 1 1 20 13 26 o 20.6003 5.43134 4.50471      2.56199  0.33146      2.47827  15.5965     22.0955     6.84783     202.096     
1 1 1 20 13 27 o 14.8352 4.80626 -0.115123    2.54793  -1.01953     2.41327  9.78812     109.846     2.80186     289.846     
1 1 1 20 13 28 o 19.7861 5.3408  -2.15864     2.57241  5.34867      2.83909  11.7605     64.884      14.3436     244.884     
1 1 1 20 13 29 f 19.9726 5.63159 4.11129      2.69734  0.068567     2.98192  21.2779     110.175     0           0           
1 1 1 20 13 30 o 18.0057 5.51813 3.41983      3.18692  -1.15851     2.65293  15.682      62.4288     2.57329     62.4288     
1 1 1 20 13 31 o 21.6651 5.78977 3.13832      2.66949  3.92121      2.63805  22.6084     316.994     9.0658      316.994     
1 1 1 20 13 32 o 17.5634 5.36947 1.53618      2.82891  1.43306      2.49662  15.1362     91.6469     0.990857    91.6469     
1 1 1 20 13 33 o 15.5734 5.07399 0.924252     2.93892  -1.02553     2.70866  13.4578     295.161     3.79648     295.161     
1 1 1 20 13 34 o 16.215  5.27671 1.8233       3.18638  -1.44102     2.94929  14.6354     139.138     3.37464     139.138     
1 1 1 20 13 35 o 18.2042 5.84414 1.02674      3.16849  2.69337      3.90766  6.49336     115.843     4.37382     115.843     
1 1 1 20 13 36 o 18.8361 5.96804 0.372236     3.00902  4.92251      4.06593  18.1084     134.722     5.95218     134.722     
1 1 1 20 13 37 o 15.8857 5.11909 1.44965      2.54964  -0.193763    3.11818  13.1699     211.891     3.16069     211.891     
1 1 1 20 13 38 o 12.8199 4.35411 -2.00348     2.42517  -0.957206    2.56478  5.61541     126.213     0.848179    126.213     
1 1 1 20 13 39 o 16.5092 5.10142 -0.554232    2.53275  3.20187      2.61886  11.7066     346.761     1.00753     346.761     
1 1 1 20 13 40 o 20.3473 5.7947  3.94826      2.79218  3.81674      2.78505  15.9009     42.5524     6.40952     42.5524     
1 1 1 20 13 41 o 15.2477 4.92289 -0.664453    2.65908  2.05894      2.61066  6.25433     38.5424     12.4644     218.542     
1 1 1 20 13 42 o 17.6882 5.23011 -0.00633765  2.61321  4.95063      2.62907  15.7058     9.10935     4.52187     9.10935     
1 1 1 20 13 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 14 0  f 23.3585 7.38738 4.64117      2.82675  4.64117      2.82675  44.8        180         0           0           
1 1 1 20 14 1  o 22.0162 5.4391  -1.42156     2.7342   5.17622      2.70308  12.5027     94.5347     17.2184     274.535     
1 1 1 20 14 2  o 28.2696 6.1742  5.00187      3.09031  5.18618      2.83402  29.0029     122.731     3.62185     122.731     
1 1 1 20 14 3  o 27.2766 5.76363 2.33051      2.82387  6.78916      2.78625  20.8323     208.88      12.2347     28.8797     
1 1 1 20 14 4  o 18.1115 5.65586 -3.90757     3.98781  1.28041      2.77001  12.541      340.211     3.6722      340.211     
1 1 1 20 14 5  o 45.1563 5.38059 12.1597      3.91302  12.9962      3.23926  46.1227     161.769     1.15891     341.769     
1 1 1 20 14 6  o 36.6935 5.77367 12.2228      3.17988  5.18402      3.39406  31.3282     330.35      12.4883     150.35      
1 1 1 20 14 7  o 20.2527 5.54673 4.53363      2.99104  -4.94651     3.24206  1.70867     87.5612     36.4912     267.561     
1 1 1 20 14 8  f 37.6362 5.39953 10.2362      3.1829   7.58927      2.87067  34.7411     186.242     0           0           
1 1 1 20 14 9  o 29.6599 6.43167 6.34459      3.50549  5.30348      2.92941  33.4029     197.86      9.22305     197.86      
1 1 1 20 14 10 f 23.8717 6.16058 4.4041       3.03097  2.20856      2.96709  18.4321     25.473      0           0           
1 1 1 20 14 11 o 78.9855 3.13587 35.4205      3.67363  35.7892      3.92041  95.9901     247.576     25.9175     247.576     
1 1 1 20 14 12 o 33.7071 5.48946 5.24085      2.8975   9.47512      2.79369  23.5859     343.272     21.4937     163.272     
1 1 1 20 14 13 o 45.0957 4.43293 11.6191      2.98717  12.9932      2.99352  46.0321     218.28      0.951042    38.2795     
1 1 1 20 14 14 o 24.2607 5.92314 5.64203      3.01141  1.60738      2.64828  17.7041     257.102     10.9432     77.1023     
1 1 1 20 14 15 o 19.4216 5.6615  2.54956      2.97851  0.308638     2.55477  15.2752     353.302     3.59856     353.302     
1 1 1 20 14 16 o 39.778  4.86912 9.39916      2.89148  10.4106      2.85083  40.9491     293.306     1.16343     293.306     
1 1 1 20 14 17 o 17.8245 5.32109 0.0272068    2.62199  1.55749      2.46451  10.2608     89.5861     9.27551     269.586     
1 1 1 20 14 18 o 21.3638 5.7176  2.3443       2.60668  2.87444      2.56377  12.725      124.564     14.015      304.564     
1 1 1 20 14 19 o 18.3401 5.5133  0.501161     2.53324  1.45282      2.90319  5.12664     217.477     2.09481     217.477     
1 1 1 20 14 20 f 20.1707 5.74852 0.773596     2.83171  2.96462      2.78936  11.523      277.981     0           0           
1 1 1 20 14 21 o 57.1795 4.06747 19.3968      3.58541  20.3226      3.47251  57.2419     332.571     3.69104     152.571     
1 1 1 20 14 22 o 60.1749 3.87331 24.5084      3.56979  19.4328      3.49151  81.7687     170.774     39.9294     170.774     
1 1 1 20 14 23 o 20.4993 5.62994 0.877074     2.85365  3.62342      2.52308  18.217      99.0646     8.58626     99.0646     
1 1 1 20 14 24 o 20.2248 5.63632 2.2264       2.67541  2.67688      2.50566  18.2886     124.466     2.15427     124.466     
1 1 1 20 14 25 o 24.8251 5.59424 1.96028      2.6707   6.64023      2.65048  23.0802     118.614     1.26577     298.614     
1 1 1 20 14 26 o 16.3    5.0579  -1.15816     2.53549  1.74796      2.51603  11.5398     26.2729     4.98046     206.273     
1 1 1 20 14 27 o 22.7132 5.4854  6.14876      2.66419  0.761139     2.57031  16.2864     174.839     11.3574     354.839     
1 1 1 20 14 28 o 22.9306 5.79957 4.83633      2.6326   2.98375      2.65497  24.3699     286.376     16.739      286.376     
1 1 1 20 14 29 f 13.8235 4.59725 -1.68165     2.52781  -0.858215    2.4988   7.71106     164.5       0           0           
1 1 1 20 14 30 o 18.4498 5.6809  0.681161     2.61064  2.95048      3.39913  14.4106     107.45      3.14883     287.45      
1 1 1 20 14 31 o 15.4481 4.89892 1.57077      2.48483  -1.34065     2.50045  12.4788     214.461     2.81354     214.461     
1 1 1 20 14 32 o 16.9211 5.22819 3.67498      2.93011  -2.92163     2.75316  13.9067     252.73      8.52825     252.73      
1 1 1 20 14 33 o 15.1444 5.01456 -3.64335     2.86966  1.74841      3.13413  11.8941     44.0438     4.62139     44.0438     
1 1 1 20 14 34 o 13.9914 4.64947 -2.02629     2.61958  0.2738       2.56466  10.0128     6.14647     0.292428    6.1465      
1 1 1 20 14 35 o 18.0809 5.40443 3.03606      2.56113  1.37009      2.71875  15.5953     284.182     0.109158    104.183     
1 1 1 20 14 36 f 16.009  5.1513  1.35887      3.00876  0.621382     2.54393  18.2761     278.861     0           0           
1 1 1 20 14 37 f 19.4494 5.84471 1.94901      3.09864  4.55935      3.13624  13.434      334.851     0           0           
1 1 1 20 14 38 o 16.8036 5.40131 1.32155      3.00925  1.66426      3.09492  11.1846     318.217     1.5055      318.217     
1 1 1 20 14 39 o 18.7674 5.65672 3.29172      2.70518  2.7028       3.1114   13.8608     169.833     1.72219     169.833     
1 1 1 20 14 40 f 16.8575 5.12737 3.94501      2.56585  -0.781848    2.71364  8.64997     256.932     0           0           
1 1 1 20 14 41 o 13.8585 4.62291 -0.533374    2.57689  0.652919     2.58037  4.04598     244.649     1.28946     244.649     
1 1 1 20 14 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 15 0  o 14.5361 6.52336 0.858384     3.17101  0.858384     3.17101  8.76107     180         0.141642    180         
1 1 1 20 15 1  o 24.6148 5.7685  0.0627572    2.84901  6.55019      3.0191   21.1478     68.6552     5.01746     248.655     
1 1 1 20 15 2  o 23.0986 5.96734 3.87607      2.82577  2.26295      2.76344  24.9336     49.3859     10.772      49.3859     
1 1 1 20 15 3  o 23.132  5.72306 0.749656     2.76712  5.01302      2.71632  23.8866     157.89      6.26468     157.89      
1 1 1 20 15 4  o 16.8601 5.35267 -0.0993353   2.94217  -1.03059     2.84882  10.4848     314.871     7.18976     134.871     
1 1 1 20 15 5  o 52.5303 4.29804 18.1809      3.42411  14.8178      3.36907  58.831      69.6932     8.8363      69.6932     
1 1 1 20 15 6  o 19.4362 5.49668 3.8682       2.92212  -2.96124     2.842    16.5166     90.588      6.61255     90.588      
1 1 1 20 15 7  f 17.8688 5.42214 1.35229      2.74283  -0.411731    2.67093  11.9932     225.078     0           0           
1 1 1 20 15 8  o 18.0104 5.4932  -0.284171    3.0003   1.09608      2.61801  12.3903     313.102     3.6578      313.102     
1 1 1 20 15 9  o 35.6252 5.54247 4.63117      3.24939  12.0689      2.92475  48.6556     39.4236     28.9678     39.4236     
1 1 1 20 15 10 o 38.7123 5.9313  8.53854      3.66227  11.2062      3.21637  44.423      247.506     11.4667     247.506     
1 1 1 20 15 11 o 42.9787 5.36279 11.5165      3.58058  12.0109      3.24122  29.367      152.362     29.5232     332.362     
1 1 1 20 15 12 o 75.72   3.33547 26.4798      3.88702  40.5184      3.62602  85.3903     340.261     13.0023     340.261     
1 1 1 20 15 13 o 14.7334 4.80769 -0.584058    2.57015  -2.11219     2.54936  4.94514     64.1409     1.42088     244.141     
1 1 1 20 15 14 o 33.5937 5.57431 7.97404      2.86716  6.87995      2.8063   29.0386     250.599     8.84422     70.5992     
1 1 1 20 15 15 o 19.9672 5.72836 1.56272      2.93117  2.03007      2.58624  15.1405     205.854     2.76931     25.8537     
1 1 1 20 15 16 o 29.4458 5.83121 6.5843       2.81585  5.12966      2.70612  30.0063     30.8069     3.85332     30.8069     
1 1 1 20 15 17 o 29.782  5.66268 3.859        2.80239  8.111        2.77082  22.1168     310.373     14.2724     130.373     
1 1 1 20 15 18 o 19.164  5.60449 3.05069      2.87362  -0.686008    2.79859  13.9879     10.3398     3.16237     190.34      
1 1 1 20 15 19 o 22.2134 5.99035 2.15033      2.9636   3.85768      2.8261   13.9321     36.5506     13.4039     216.551     
1 1 1 20 15 20 o 15.8629 5.07223 1.01047      2.79423  -2.40271     2.65196  7.08577     139.44      0.980695    139.44      
1 1 1 20 15 21 o 34.3552 5.41064 6.67157      2.80216  9.53981      2.80703  34.4261     88.0057     0.700956    88.0057     
1 1 1 20 15 22 o 31.1828 5.66715 7.08243      2.76371  6.7247       2.70882  40.2247     255.782     21.9001     255.782     
1 1 1 20 15 23 o 26.5483 5.92787 5.6101       2.70684  4.85637      2.72956  18.3002     249.788     15.3834     69.7884     
1 1 1 20 15 24 o 24.633  5.94213 4.45747      2.74922  4.66736      2.6608   22.7058     160.684     1.54419     340.684     
1 1 1 20 15 25 o 32.0391 5.74347 8.87106      2.92748  6.3504       2.79587  32.7614     316.403     2.11307     316.403     
1 1 1 20 15 26 o 13.1019 4.35429 0.182991     2.32957  -4.16203     2.35918  4.6156      287.296     0.588116    287.296     
1 1 1 20 15 27 o 25.112  6.08288 5.88426      2.98419  4.18656      2.70802  26.2427     37.0921     6.18199     37.0921     
1 1 1 20 15 28 o 22.8474 5.87502 2.39768      3.03221  5.43898      2.68222  19.7967     215.419     2.66752     35.4188     
1 1 1 20 15 29 o 15.0527 4.908   -0.0904801   2.71767  -0.481823    2.56438  8.66863     129.446     3.26336     129.446     
1 1 1 20 15 30 o 15.8882 5.12811 -0.755463    2.60911  1.32439      2.96636  9.31858     232.805     9.88894     52.8053     
1 1 1 20 15 31 o 16.3151 5.10185 2.88159      2.78624  -1.70429     2.51218  14.2056     255.604     7.1949      255.604     
1 1 1 20 15 32 o 16.8836 5.36011 1.87956      3.02079  0.457289     2.78024  15.2553     3.58919     3.93182     3.58919     
1 1 1 20 15 33 o 21.3464 5.76041 6.14873      2.85228  0.882395     3.13863  18.5045     156.45      2.26885     336.45      
1 1 1 20 15 34 o 18.1002 5.48056 2.95559      2.69635  1.5767       2.81306  16.7449     93.4987     3.87829     93.4987     
1 1 1 20 15 35 o 14.3811 4.6696  1.9802       2.46875  -3.77289     2.70982  6.48333     130.094     2.75208     130.094     
1 1 1 20 15 36 o 19.5828 5.71602 3.53755      2.67654  3.25132      2.93836  16.7796     25.689      0.354894    25.6889     
1 1 1 20 15 37 o 14.0821 4.69126 -1.53833     2.51315  0.597488     2.74873  5.8075      225.965     2.80523     45.9654     
1 1 1 20 15 38 o 14.183  4.69415 -0.420034    2.56779  0.17829      2.56036  2.24656     352.599     0.241379    172.599     
1 1 1 20 15 39 o 15.6638 5.16214 1.54317      3.00086  0.498502     3.11278  9.87811     254.379     0.597884    254.379     
1 1 1 20 15 40 o 14.241  4.82174 0.640574     3.01879  -0.890275    3.02327  9.02254     262.678     1.58843     262.678     
1 1 1 20 15 41 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 16 0  o 33.6252 6.69172 7.97752      2.99929  7.97752      2.99929  28.1052     1.26635e-06 14.35       180         
1 1 1 20 16 1  o 14.1837 4.72436 -1.22111     2.69147  -3.43417     2.69473  4.83175     163.888     2.27533     343.888     
1 1 1 20 16 2  o 35.4381 5.5678  12.3798      3.03966  4.34349      3.20782  29.6178     356.412     11.9021     176.412     
1 1 1 20 16 3  o 28.2471 6.06186 5.86152      2.905    4.82276      2.84615  30.9608     254.935     9.58421     254.935     
1 1 1 20 16 4  o 22.9849 5.8836  -0.315685    2.81146  5.82537      3.18175  20.639      175.846     0.64857     175.846     
1 1 1 20 16 5  o 20.2693 5.84058 3.40832      2.97589  -1.02463     3.21687  16.2615     285.814     5.4784      285.814     
1 1 1 20 16 6  o 26.6478 6.3561  5.98153      3.0693   3.33267      3.32879  23.6685     168.539     2.71765     348.539     
1 1 1 20 16 7  o 17.0619 5.29854 -0.788057    2.76561  0.860653     2.66086  7.53743     139.324     1.56904     139.324     
1 1 1 20 16 8  o 39.9899 5.36329 12.9505      3.34532  7.88267      3.01105  40.1336     328.195     0.1552      148.195     
1 1 1 20 16 9  o 22.1472 5.87089 5.07104      3.10901  0.043421     2.74548  12.1985     154.263     7.54677     154.263     
1 1 1 20 16 10 o 21.1099 5.73528 -1.45859     3.01842  4.67646      2.96609  14.5702     123.498     7.6573      123.498     
1 1 1 20 16 11 o 20.3461 5.82506 1.93417      2.71738  1.96107      2.95253  15.2736     262.045     3.62322     82.0453     
1 1 1 20 16 12 o 23.7526 5.86994 4.86147      2.75465  2.22101      2.7043   23.8408     225.414     11.3941     225.414     
1 1 1 20 16 13 o 41.2465 4.88513 9.97019      3.02615  11.4823      2.94176  39.5995     306.797     3.93317     126.797     
1 1 1 20 16 14 o 49.9006 4.54018 20.08        3.47594  11.2477      3.15262  48.9463     290.024     3.86299     110.024     
1 1 1 20 16 15 o 20.4706 5.79022 3.10318      2.94391  1.25379      2.62858  17.1823     291.102     5.31059     291.102     
1 1 1 20 16 16 o 22.6652 5.96994 0.572542     3.25696  5.05185      2.88695  20.3023     274.077     1.00703     274.077     
1 1 1 20 16 17 o 18.3412 5.54208 -1.85811     3.13041  2.68408      2.85422  13.6653     20.1548     2.4642      20.1548     
1 1 1 20 16 18 o 16.9907 5.09959 -6.24262     2.97189  3.28435      2.75207  9.92808     53.3619     2.90465     53.3619     
1 1 1 20 16 19 o 13.9635 4.60672 -2.07478     2.49491  -0.667206    2.41059  6.374       55.8624     6.88364     235.862     
1 1 1 20 16 20 o 15.6407 4.93643 1.11775      2.49485  -1.42658     2.46431  10.4224     151.689     0.547836    151.689     
1 1 1 20 16 21 o 17.5094 5.28499 0.202773     2.52663  1.98374      2.57781  7.89841     18.6902     16.2459     198.69      
1 1 1 20 16 22 o 22.3586 5.78054 4.84187      2.70283  2.21661      2.66102  24.5278     167.643     16.1079     167.643     
1 1 1 20 16 23 o 24.5617 6.05577 4.73309      2.89753  4.56949      2.72908  19.2109     1.82697     8.7561      181.827     
1 1 1 20 16 24 o 17.4563 5.33796 1.47231      2.53983  0.854554     2.74604  13.5926     158.226     2.28088     338.226     
1 1 1 20 16 25 o 18.9931 5.26898 -0.668324    2.57179  4.12373      2.48727  16.3392     168.087     0.221363    168.087     
1 1 1 20 16 26 o 24.257  5.95298 4.82025      2.70774  4.58411      2.72719  27.7152     87.3941     16.8978     87.3941     
1 1 1 20 16 27 o 17.7044 5.36193 2.51219      2.64908  0.441626     2.66722  15.7011     118.933     5.78748     118.933     
1 1 1 20 16 28 o 17.7127 5.39418 1.86303      2.68275  1.52292      2.65108  16.9097     182.385     5.71165     182.385     
1 1 1 20 16 29 o 17.1633 5.30915 1.35388      2.65121  1.50966      2.683    16.4902     248.645     7.84993     248.645     
1 1 1 20 16 30 o 21.1769 5.47294 0.964985     2.57604  5.75292      2.61258  24.0074     91.2114     11.8699     91.2114     
1 1 1 20 16 31 o 18.0011 5.65534 2.88579      3.63137  1.30018      2.59798  10.0616     283.006     12.6906     103.006     
1 1 1 20 16 32 o 27.0033 6.87163 7.67444      3.99827  7.7799       3.39178  25.1039     211.012     0.724461    31.0119     
1 1 1 20 16 33 o 21.509  5.92518 5.00315      2.86768  3.60874      2.82863  21.4773     357.341     5.01073     357.341     
1 1 1 20 16 34 o 24.2332 5.87829 7.36367      2.80175  3.50216      2.8953   28.8511     228.041     18.0175     228.041     
1 1 1 20 16 35 o 19.5181 5.55822 4.5141       2.65306  1.92726      2.65087  10.3445     29.7859     6.20321     29.7859     
1 1 1 20 16 36 o 15.809  5.03757 0.512809     2.62682  1.61648      2.57662  8.06299     66.4075     4.9107      246.407     
1 1 1 20 16 37 o 18.7048 5.51642 2.64401      2.71678  3.45726      2.59994  14.7265     176.075     2.16575     176.075     
1 1 1 20 16 38 o 15.545  5.01664 1.44936      2.74363  1.31746      2.58925  9.91133     10.4092     2.0871      10.4091     
1 1 1 20 16 39 o 19.5203 5.60529 5.56559      2.76468  2.2969       2.74837  14.382      178.297     6.37906     358.297     
1 1 1 20 16 40 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 17 0  o 20.9678 7.38315 4.06002      2.89212  4.06002      2.89212  9.57381     180         24.2218     360         
1 1 1 20 17 1  o 26.3292 6.28869 4.18239      2.94398  5.18858      3.11947  22.2834     60.8136     4.57837     240.814     
1 1 1 20 17 2  o 22.2625 5.58084 -1.19135     2.83757  5.66006      2.86187  19.7596     218.573     1.4969      218.573     
1 1 1 20 17 3  o 41.9998 4.95653 11.0819      3.10354  11.1279      3.08181  43.4536     42.505      2.63857     42.505      
1 1 1 20 17 4  o 31.9882 5.9663  7.44956      3.01002  6.41527      2.96164  33.4735     313.603     5.58767     313.603     
1 1 1 20 17 5  f 19.3126 5.67121 2.99253      2.97663  -0.886393    2.85707  20.0303     171.373     0           0           
1 1 1 20 17 6  o 26.1181 6.19227 6.18394      3.08684  2.87441      3.00633  24.7295     54.102      1.87879     54.102      
1 1 1 20 17 7  o 21.0243 5.87902 1.45722      2.95702  3.02905      2.76927  13.2649     266.241     10.863      86.2414     
1 1 1 20 17 8  f 17.3018 5.40994 -1.03733     3.09444  0.890445     2.69553  21.0982     233.911     0           0           
1 1 1 20 17 9  o 21.9972 5.68565 -1.14194     3.13131  5.22564      2.80145  17.616      153.878     3.24295     333.878     
1 1 1 20 17 10 o 57.5866 4.36973 21.3738      3.76806  19.3435      3.84303  64.9544     259.341     12.618      259.341     
1 1 1 20 17 11 o 14.151  4.76747 -2.843       2.61605  -2.09849     3.06953  5.28314     202.985     5.61577     22.9846     
1 1 1 20 17 12 o 38.48   5.48722 9.66752      2.98742  10.0912      3.28926  34.7431     339.68      7.27188     159.68      
1 1 1 20 17 13 o 20.3246 5.6332  -2.43277     3.07386  4.77409      2.97428  10.6062     16.4916     15.8518     196.492     
1 1 1 20 17 14 o 39.9942 5.54663 10.0293      3.32151  11.6745      3.26019  51.3177     307.878     24.4058     307.878     
1 1 1 20 17 15 o 16.4808 5.26963 -0.928312    2.97633  0.392408     2.78714  7.71269     79.1683     12.1947     259.168     
1 1 1 20 17 16 o 14.7113 4.88856 -1.18359     2.88456  -1.99279     2.76633  7.26119     286.644     0.565842    106.644     
1 1 1 20 17 17 o 24.4307 6.16297 4.43457      2.7851   4.36553      3.07934  19.7878     328.269     6.32685     148.269     
1 1 1 20 17 18 f 20.3203 5.57407 0.601988     2.65628  4.13394      2.65     10.0345     277.908     0           0           
1 1 1 20 17 19 o 21.8746 5.80324 3.92286      2.64657  2.79696      2.68491  22.1341     224.767     5.41377     224.767     
1 1 1 20 17 20 o 26.6112 6.24543 5.95828      3.17852  5.2175       2.79577  20.2225     228.741     11.1664     48.7412     
1 1 1 20 17 21 o 22.3542 5.81467 6.23535      3.07804  0.644725     2.6879   23.4509     218.537     7.42319     218.537     
1 1 1 20 17 22 f 16.4041 5.13171 -1.35852     2.90548  1.68842      2.47692  1.85321     121.932     0           0           
1 1 1 20 17 23 o 16.5119 5.14848 1.08435      2.62464  0.444936     2.48415  12.16       225.098     0.595557    45.0978     
1 1 1 20 17 24 o 18.0952 5.31529 0.157501     2.65145  3.02986      2.47675  14.761      10.8768     0.29966     190.877     
1 1 1 20 17 25 o 30.4026 6.01678 7.67035      2.99279  7.18561      2.86232  38.9888     244.941     21.5222     244.941     
1 1 1 20 17 26 o 18.2746 5.81805 -1.27333     2.49796  5.10318      4.17693  17.1852     269.009     4.70856     269.009     
1 1 1 20 17 27 o 20.5798 5.71395 3.20339      2.70772  3.47665      2.59163  14.1489     336.494     10.8116     336.494     
1 1 1 20 17 28 o 18.2515 5.44006 0.617215     2.75586  3.39731      2.66793  15.0513     44.0913     2.24159     224.091     
1 1 1 20 17 29 o 29.1543 5.3147  11.4424      2.89504  2.52168      2.91538  33.974      43.1734     12.5112     43.1734     
1 1 1 20 17 30 o 18.8381 5.64808 3.31262      3.10839  2.14386      2.56207  14.986      6.7355      3.2083      186.736     
1 1 1 20 17 31 o 25.0851 6.21857 8.48171      3.25564  3.75514      3.03959  24.451      259.466     2.44503     259.466     
1 1 1 20 17 32 o 17.6703 5.48434 0.560802     2.71702  3.62909      3.08233  15.8971     7.93265     6.2896      7.93265     
1 1 1 20 17 33 o 16.3041 5.16758 -1.39066     3.11372  2.81641      2.67182  11.6489     359.551     0.175304    359.551     
1 1 1 20 17 34 o 15.5894 4.94186 -1.09869     2.56151  2.4458       2.55904  8.03443     117.564     6.2182      297.564     
1 1 1 20 17 35 o 24.0483 6.15973 5.07785      3.33583  6.64806      2.79904  20.3926     176.565     1.38744     356.565     
1 1 1 20 17 36 o 11.8586 4.10314 -4.91784     2.74323  -0.782536    2.42865  3.39018     19.9413     5.26553     199.941     
1 1 1 20 17 37 o 20.5686 5.95159 5.06286      2.80681  4.73472      3.27294  14.6145     66.5617     9.91866     66.5617     
1 1 1 20 17 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 18 0  o 12.848  5.98562 0.0451597    3.02754  0.0451597    3.02754  2.19047     360         2.24022     180         
1 1 1 20 18 1  o 20.4771 5.74747 3.71876      2.83788  0.109352     2.88448  16.2778     121.271     0.930856    301.272     
1 1 1 20 18 2  o 38.2612 5.39908 8.23411      3.05623  11.1703      3.07799  41.1915     10.5028     7.15661     10.5027     
1 1 1 20 18 3  o 21.6353 5.9615  1.8694       2.91403  3.51836      2.88418  16.7874     253.846     3.98956     73.846      
1 1 1 20 18 4  o 27.3878 5.33484 0.16074      2.92269  9.17008      2.89728  29.1926     106.458     8.17083     106.458     
1 1 1 20 18 5  o 21.0521 5.95898 3.71048      3.03943  0.84338      3.00242  17.2082     258.283     7.68576     258.283     
1 1 1 20 18 6  o 44.3132 5.10452 13.7781      3.41     11.7413      3.3075   47.1238     29.2047     5.71611     29.2047     
1 1 1 20 18 7  o 20.2392 5.86382 2.47366      3.00503  1.67647      2.82656  15.8319     244.557     6.62613     244.557     
1 1 1 20 18 8  o 23.9313 6.23949 4.7699       3.2368   3.14591      2.84416  21.4036     137.293     0.101754    137.293     
1 1 1 20 18 9  o 39.6548 5.46518 12.8697      3.41995  8.55781      3.02331  33.9722     327.159     11.1349     147.159     
1 1 1 20 18 10 o 17.6464 5.64066 1.19876      3.53727  -1.14604     2.99923  12.3774     84.9932     0.682149    264.993     
1 1 1 20 18 11 o 30.8203 6.61508 7.8858       3.30204  6.69298      3.58883  30.582      14.3146     2.43367     14.3146     
1 1 1 20 18 12 o 26.8527 6.64284 6.25346      3.66743  4.98885      3.10388  23.2947     85.1412     3.87153     265.141     
1 1 1 20 18 13 o 18.946  5.53815 3.9949       2.97158  -2.0368      2.88879  13.0407     55.1893     6.92679     55.1893     
1 1 1 20 18 14 o 16.0106 5.17732 0.845094     2.96272  -2.04152     2.84585  8.04544     331.425     11.1948     151.425     
1 1 1 20 18 15 o 23.9845 5.96636 3.35877      2.81529  5.11508      2.74905  25.725      336.017     8.53453     336.017     
1 1 1 20 18 16 o 13.7361 4.56649 0.142414     2.51829  -4.44531     2.66548  7.99486     166.852     0.688565    166.852     
1 1 1 20 18 17 o 17.5154 5.45555 1.3003       2.62482  0.378957     3.15693  14.418      1.66477     0.384808    181.665     
1 1 1 20 18 18 o 17.9895 5.54199 0.943682     2.82482  1.54594      2.93821  13.0947     266.942     5.08261     86.9424     
1 1 1 20 18 19 o 19.4774 5.63766 2.55286      2.70191  2.10463      2.68205  5.04966     341.139     3.4049      341.139     
1 1 1 20 18 20 o 18.6994 5.50821 0.70479      2.65828  3.04275      2.71946  15.9359     89.7222     1.60677     89.7222     
1 1 1 20 18 21 o 21.8242 5.59704 1.28633      2.64417  5.42326      2.64008  17.1552     310.613     5.41753     130.613     
1 1 1 20 18 22 o 15.0399 4.85354 0.0544256    2.50301  -0.228118    2.48961  9.73002     195.591     1.83197     195.591     
1 1 1 20 18 23 o 24.2849 5.90576 4.93978      2.67962  4.72005      2.66339  21.0221     221.182     3.59187     41.1825     
1 1 1 20 18 24 o 13.629  4.54404 -1.16514     2.51586  -0.999527    2.44176  8.60295     310.926     2.79869     310.926     
1 1 1 20 18 25 o 14.3027 4.67313 -2.08836     2.49066  0.871872     2.4662   6.69173     71.1491     3.35648     71.1491     
1 1 1 20 18 26 o 14.4224 4.73549 -0.288858    2.61771  -0.345638    2.42989  10.79       325.495     2.18914     325.495     
1 1 1 20 18 27 o 16.447  5.19774 -0.282797    3.0541   1.95034      2.53537  13.8492     180.827     4.77316     180.827     
1 1 1 20 18 28 o 19.2301 5.76712 4.2601       3.08474  1.33161      2.98736  15.2196     44.7624     9.61168     44.7624     
1 1 1 20 18 29 f 15.2355 4.99385 1.15244      3.09012  -0.454343    2.42007  5.81451     256.215     0           0           
1 1 1 20 18 30 o 12.9066 4.41172 -1.47534     2.89351  -1.92286     2.38529  6.88663     43.5642     0.188553    43.5642     
1 1 1 20 18 31 o 22.6942 6.15573 6.68664      2.97245  3.30427      3.68398  18.6369     81.4        3.40729     261.4       
1 1 1 20 18 32 o 14.272  4.67159 1.28907      2.46921  -1.82361     2.53793  5.59298     2.27646     1.23605     182.276     
1 1 1 20 18 33 o 22.5413 5.76585 6.90661      2.79023  2.48103      2.84918  21.0025     29.618      8.11249     29.618      
1 1 1 20 18 34 o 19.2558 5.70412 3.76851      3.03915  3.30167      2.65301  15.6117     149.751     2.33217     149.751     
1 1 1 20 18 35 o 12.8478 4.3402  -2.26127     2.51206  0.387764     2.39968  5.18244     221.332     0.886163    41.3315     
1 1 1 20 18 36 o 18.4777 5.50538 1.6694       2.65178  5.10018      2.8586   14.3125     1.66583     3.50842     181.666     
1 1 1 20 18 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 19 0  o 15.5828 6.63374 2.04739      2.88514  2.04739      2.88514  9.65421     360         1.43781     360         
1 1 1 20 19 1  o 19.1024 5.71229 1.82302      2.93458  1.40362      2.8553   15.5662     128.286     4.06442     128.286     
1 1 1 20 19 2  o 34.1652 5.98292 7.90355      3.16635  8.90687      3.10639  45.4092     272.384     27.9795     272.384     
1 1 1 20 19 3  o 25.6912 6.03091 6.57221      2.9448   2.93454      2.91566  23.3773     33.1372     0.728308    213.137     
1 1 1 20 19 4  o 18.1921 5.59732 0.768785     3.05386  1.24247      2.82114  14.124      242.714     1.73967     242.714     
1 1 1 20 19 5  o 24.2489 6.35067 5.39766      3.30287  3.21685      3.05661  26.0737     194.134     14.0607     194.134     
1 1 1 20 19 6  o 18.4609 5.61459 -0.424716    2.97316  2.51526      2.96074  8.96527     16.0406     15.0114     196.041     
1 1 1 20 19 7  o 28.9431 6.59646 7.42145      3.51278  5.77258      3.18681  26.8599     198.052     1.13501     18.0523     
1 1 1 20 19 8  f 14.9257 5.06123 -0.718451    3.54297  -4.78101     3.09375  13.4664     343.036     0           0           
1 1 1 20 19 9  f 28.9262 6.88591 8.69354      3.78894  5.10366      3.66864  27.2314     285.873     0           0           
1 1 1 20 19 10 o 22.7401 6.35928 4.03967      3.14799  3.37174      3.49138  17.8829     94.7156     6.04248     274.716     
1 1 1 20 19 11 o 19.048  5.84386 2.2214       3.05901  0.757656     3.37176  17.3903     230.918     4.2006      230.918     
1 1 1 20 19 12 o 24.1883 5.76551 1.68136      2.83293  6.63207      2.81335  22.0623     32.4378     1.20062     212.438     
1 1 1 20 19 13 o 21.3888 5.88717 3.61194      2.82726  2.78913      2.76206  11.9704     228.941     16.2613     48.9413     
1 1 1 20 19 14 o 44.2614 4.99042 12.9703      3.4726   13.6436      3.05768  51.5608     355.02      15.3137     355.02      
1 1 1 20 19 15 o 17.9158 5.34339 -0.82793     2.71205  3.06521      2.66328  14.7204     112.975     0.142602    112.975     
1 1 1 20 19 16 o 17.2833 5.28033 -0.684747    2.7038   2.42508      2.65026  8.62733     260.217     13.2363     80.2175     
1 1 1 20 19 17 o 17.1194 5.29637 1.3399       2.64039  0.73242      2.68044  12.8395     57.6261     0.514279    237.626     
1 1 1 20 19 18 o 18.7251 5.52115 1.97631      2.689    2.20822      2.60551  16.1947     291.529     3.82074     291.529     
1 1 1 20 19 19 o 17.4827 5.31238 1.33598      2.57267  1.60718      2.57898  14.5354     287.567     4.89385     287.567     
1 1 1 20 19 20 o 17.126  5.25158 1.44445      2.54399  1.2212       2.5817   9.9129      50.4714     5.69973     50.4714     
1 1 1 20 19 21 o 17.2692 5.24893 0.144975     2.58551  2.60066      2.58225  15.7309     339.36      7.54547     339.36      
1 1 1 20 19 22 o 15.4447 5.01697 0.890153     2.53853  -1.24151     3.0685   12.0682     308.324     1.30811     128.324     
1 1 1 20 19 23 o 14.7843 4.79751 0.906618     2.48935  -1.25248     2.56557  9.20816     203.312     6.57234     23.3122     
1 1 1 20 19 24 o 24.5682 6.24668 4.49498      2.7842   6.73222      3.25743  22.9785     28.0496     0.560607    28.0495     
1 1 1 20 19 25 o 17.5083 5.37716 2.31048      2.53781  1.2691       2.93284  12.4406     32.8891     7.06586     32.8891     
1 1 1 20 19 26 o 16.1849 5.13195 1.49109      2.55624  0.51424      2.78354  12.3589     63.5502     1.17745     243.55      
1 1 1 20 19 27 o 18.5122 5.36055 0.460265     2.63268  4.27294      2.58892  15.8258     16.7012     0.168781    16.7014     
1 1 1 20 19 28 o 21.1963 5.62363 6.31431      2.80071  1.38164      2.64621  22.1771     226.223     8.77451     226.223     
1 1 1 20 19 29 o 17.3704 5.36811 1.86527      3.00804  2.21843      2.48625  13.4956     252.204     1.7235      252.204     
1 1 1 20 19 30 o 19.6357 5.8047  1.77873      3.06814  4.87954      3.01968  14.6906     133.852     6.07252     133.852     
1 1 1 20 19 31 o 15.2589 4.94614 -1.46665     2.47567  2.42639      2.85656  5.81128     259.984     1.10456     79.9842     
1 1 1 20 19 32 o 15.701  4.96886 -3.11715     2.51485  3.92509      2.84691  4.76688     210.098     1.18106     210.098     
1 1 1 20 19 33 o 15.8751 5.03827 1.88166      2.59783  1.47456      2.51929  9.84314     260.456     4.83829     80.4557     
1 1 1 20 19 34 o 14.1351 4.60018 -1.9477      2.47784  2.20985      2.39575  8.79793     25.504      2.1459      25.504      
1 1 1 20 19 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 20 0  o 15.972  6.75426 2.35965      2.9519   2.35965      2.9519   15.0882     180         2.64759     180         
1 1 1 20 20 1  o 17.3699 5.43261 0.554957     2.87621  0.981517     2.857    14.5262     192.491     1.82338     192.491     
1 1 1 20 20 2  o 23.6726 6.07402 5.92873      3.03495  2.32207      2.95883  25.3873     16.1513     8.92871     16.1513     
1 1 1 20 20 3  o 20.99   6.08697 4.14647      3.42972  1.62967      2.88766  20.7458     203.957     12.2604     203.957     
1 1 1 20 20 4  o 29.9553 6.18664 4.1154       3.35691  9.9228       3.2703   27.7614     86.7279     2.05723     266.728     
1 1 1 20 20 5  o 22.102  6.32478 2.39542      3.39249  4.44888      3.3791   10.8336     330.956     19.9458     150.956     
1 1 1 20 20 6  o 20.6118 6.10568 1.02697      3.34513  3.91474      3.33371  18.1955     144.159     0.34029     144.159     
1 1 1 20 20 7  o 33.5292 6.39471 7.38617      3.60808  10.4067      3.31705  30.0953     45.2912     4.91404     225.291     
1 1 1 20 20 8  o 20.2744 6.1054  1.91603      3.71474  2.74114      3.06062  17.1866     294.937     0.80597     114.937     
1 1 1 20 20 9  o 15.198  5.0721  -1.65055     3.14743  -1.2234      3.05962  10.067      102.216     2.11952     282.216     
1 1 1 20 20 10 o 15.183  4.98754 0.435658     2.76369  -2.74989     3.01874  5.95493     253.808     2.1142      253.808     
1 1 1 20 20 11 o 15.2446 4.9829  0.697834     2.7066   -2.82224     3.00971  8.68933     44.7268     1.9229      44.7268     
1 1 1 20 20 12 o 18.6995 5.52535 0.00400764   2.78058  3.38418      2.78399  14.7566     21.9871     1.48771     201.987     
1 1 1 20 20 13 o 16.886  5.29667 1.33836      2.80305  0.243532     2.69507  9.78503     48.4428     8.53506     228.443     
1 1 1 20 20 14 o 24.3606 6.0868  5.77417      2.91855  3.87993      2.85509  11.7271     354.646     22.5877     174.646     
1 1 1 20 20 15 o 24.2614 5.95503 6.30511      2.88509  3.1801       2.74675  22.6642     308.034     1.18569     308.033     
1 1 1 20 20 16 o 17.7248 5.37228 0.883549     2.69075  2.2372       2.60666  9.35506     203.452     12.9212     23.4519     
1 1 1 20 20 17 o 17.8023 5.39236 3.93933      3.01045  -1.23137     2.56432  13.1801     323.594     4.63143     143.594     
1 1 1 20 20 18 o 15.4269 4.95092 0.66189      2.58458  -0.10927     2.52611  4.67634     250.736     18.5578     70.7357     
1 1 1 20 20 19 o 19.993  5.6946  3.6098       2.6824   2.45476      2.75128  21.2676     332.403     12.278      332.403     
1 1 1 20 20 20 o 15.1965 4.90052 -0.348774    2.57131  0.757155     2.53097  10.1757     65.1225     4.72786     65.1225     
1 1 1 20 20 21 f 20.2913 5.73971 3.65463      2.77808  3.05908      2.65647  16.5144     288.423     0           0           
1 1 1 20 20 22 o 14.8989 4.82005 -0.251838    2.50044  0.662567     2.47921  10.221      44.3744     2.76421     224.374     
1 1 1 20 20 23 o 15.6161 5.0369  1.59248      2.87794  -0.439317    2.47814  8.56585     234.844     4.01608     234.844     
1 1 1 20 20 24 f 18.6502 5.42858 1.44432      2.6781   3.66075      2.51988  9.09165     97.9593     0           0           
1 1 1 20 20 25 o 14.9764 4.81455 0.491691     2.42757  0.633169     2.42521  9.4728      94.9708     3.41552     94.9708     
1 1 1 20 20 26 o 21.043  5.77516 3.89754      2.70542  4.2234       2.65498  18.0802     137.071     0.628582    317.071     
1 1 1 20 20 27 o 13.0285 4.3796  -2.21208     2.48638  -0.0927781   2.36893  1.85219     3.52525     0.252096    183.525     
1 1 1 20 20 28 o 17.7925 5.31455 3.19898      2.58675  1.50109      2.46214  12.0679     98.2906     0.421516    98.2906     
1 1 1 20 20 29 o 13.4888 4.55761 -0.788463    2.81515  -1.12862     2.49153  3.27794     216.536     2.57481     36.5357     
1 1 1 20 20 30 o 17.4872 5.37276 1.68161      2.5382   3.17797      2.84654  6.69157     174.359     2.89981     174.359     
1 1 1 20 20 31 o 14.3167 4.69703 0.0361976    2.43591  1.03371      2.52218  7.93424     276.855     0.776107    96.8548     
1 1 1 20 20 32 o 16.1068 5.04555 3.22179      2.50261  0.113311     2.71836  12.5621     218.168     0.668015    218.168     
1 1 1 20 20 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 21 0  o 13.0985 6.15575 0.307631     3.31668  0.307631     3.31668  6.99736     180         2.52596     8.62784e-06 
1 1 1 20 21 1  o 20.9769 6.09912 -0.22175     3.42294  5.32113      3.42689  20.007      336.185     8.16084     336.185     
1 1 1 20 21 2  o 24.1675 6.54903 3.1334       3.48535  6.43702      3.54468  24.9151     130.36      8.72484     130.36      
1 1 1 20 21 3  f 13.1684 4.534   -2.82671     2.97701  -3.75609     2.92697  15.9167     18.7819     0           0           
1 1 1 20 21 4  o 22.1602 6.29685 3.94872      3.19339  3.59313      3.3908   16.6417     238.142     6.24451     58.1422     
1 1 1 20 21 5  o 19.1129 5.78724 -0.342543    3.04421  3.82736      3.26402  12.7775     223.889     6.79609     223.889     
1 1 1 20 21 6  o 16.615  5.31769 -0.563452    2.9291   1.1711       2.95485  7.94223     6.6105      3.03435     6.6105      
1 1 1 20 21 7  o 16.766  5.29373 -0.620091    2.89268  1.67435      2.7902   11.7186     90.9615     1.75498     270.962     
1 1 1 20 21 8  f 32.5471 6.29259 8.33883      3.49767  8.91275      3.0403   25.5897     253.296     0           0           
1 1 1 20 21 9  o 16.8577 5.46574 -0.546475    3.18783  1.01713      3.26354  9.29115     44.4954     4.10404     44.4954     
1 1 1 20 21 10 o 21.0987 6.07203 3.77497      2.95088  2.8956       3.31345  19.3769     97.1692     2.85408     97.1692     
1 1 1 20 21 11 o 20.8197 5.88398 4.12924      2.90998  2.35026      2.86522  20.5218     155.739     6.54982     155.739     
1 1 1 20 21 12 o 16.8742 5.27873 2.2166       2.7974   -0.444677    2.72997  14.1067     91.2481     2.11841     91.2481     
1 1 1 20 21 13 o 16.8897 5.33271 2.73367      3.10238  -0.981681    2.63262  11.0492     76.2925     7.25731     256.293     
1 1 1 20 21 14 o 14.754  4.7882  1.44288      2.61163  -2.56573     2.52642  11.3768     8.06294     4.17153     8.06294     
1 1 1 20 21 15 o 18.2701 5.44111 3.78066      2.77327  -0.205362    2.76702  15.9678     326.821     0.560556    326.821     
1 1 1 20 21 16 o 16.7201 5.23676 0.248735     2.68499  1.97877      2.71134  12.711      50.9111     2.8298      230.911     
1 1 1 20 21 17 o 17.6828 5.23716 4.09769      2.69359  -1.47481     2.64228  16.1228     109.687     3.9635      109.687     
1 1 1 20 21 18 f 26.8813 6.03447 7.06713      2.81749  5.65215      2.84456  29.2127     92.2979     0           0           
1 1 1 20 21 19 o 24.9576 5.74005 8.14457      2.88185  2.67003      2.71937  24.6814     110.155     3.92333     110.155     
1 1 1 20 21 20 f 14.5479 4.7807  0.743793     2.63911  -1.2663      2.56411  10.7835     211.555     0           0           
1 1 1 20 21 21 o 20.8709 5.9729  3.17381      2.71636  4.88674      3.23435  21.2628     349.481     11.2536     349.481     
1 1 1 20 21 22 o 17.7276 5.14177 -0.854659    2.56997  4.27032      2.49175  15.7864     128.333     3.91397     128.333     
1 1 1 20 21 23 o 16.1876 5.03593 1.89434      2.47653  0.880931     2.3995   12.519      22.5047     0.982093    22.5047     
1 1 1 20 21 24 o 15.4005 4.82159 -1.23109     2.42853  2.48868      2.3729   9.72462     67.3038     0.100589    247.304     
1 1 1 20 21 25 f 17.3113 5.15147 4.40072      2.66788  -1.41692     2.54372  1.89823     170.173     0           0           
1 1 1 20 21 26 o 16.9516 5.25338 2.2681       2.71937  1.50779      2.52257  3.36975     118.306     0.844824    118.306     
1 1 1 20 21 27 f 14.7527 4.8131  1.7193       2.70511  -1.08196     2.42215  6.33964     6.22673     0           0           
1 1 1 20 21 28 o 15.6845 4.96881 -1.36834     3.08758  2.68521      2.39229  8.44256     67.0297     6.57504     247.03      
1 1 1 20 21 29 o 12.2392 4.22807 0.443145     2.74885  -4.3429      2.36177  4.8702      301.654     3.59338     121.654     
1 1 1 20 21 30 o 14.2219 5.17206 -3.29304     2.27224  4.65039      6.75081  9.14759     48.0153     0.268124    228.015     
1 1 1 20 21 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 22 0  o 47.335  5.83965 15.3022      3.86896  15.3022      3.86896  55.6978     3.19371e-06 17.0616     3.19371e-06 
1 1 1 20 22 1  o 20.7661 6.00374 4.58971      3.13661  1.83394      3.11479  18.7075     209.073     1.50545     209.073     
1 1 1 20 22 2  o 20.2543 5.98665 3.63018      3.13834  2.37583      3.13872  19.6895     333.624     11.1308     333.624     
1 1 1 20 22 3  o 19.3661 5.84063 2.29783      3.08722  2.70367      3.05778  8.93314     279.995     17.4        99.9945     
1 1 1 20 22 4  o 16.312  5.27936 1.77467      3.09382  -1.54351     2.98071  13.4024     62.728      3.49466     62.728      
1 1 1 20 22 5  o 18.5055 5.69318 3.32286      3.00467  -0.122383    3.37003  7.55834     88.9792     5.16526     88.9792     
1 1 1 20 22 6  f 15.7343 5.22485 -1.15119     3.37855  -0.0190341   3.0943   5.31627     155.424     0           0           
1 1 1 20 22 7  o 18.6648 5.74594 1.34826      3.22084  2.73129      3.02782  15.7544     217.033     0.668777    37.0328     
1 1 1 20 22 8  o 18.1414 5.67549 -0.210383    3.58493  2.88717      2.98739  16.8562     188.22      9.02234     188.22      
1 1 1 20 22 9  o 22.7921 6.74912 5.11329      4.34124  4.97332      3.66714  21.9207     132.628     3.69761     132.628     
1 1 1 20 22 10 o 20.6386 5.99724 4.9612       3.05656  1.28785      3.50024  20.6757     237.922     6.59342     237.922     
1 1 1 20 22 11 o 16.1034 5.16877 1.27926      2.77615  -0.130568    2.82899  13.3413     186.824     2.64063     186.824     
1 1 1 20 22 12 o 16.1741 5.18063 0.712803     2.7518   0.765949     2.80406  11.7175     343.385     3.08796     163.385     
1 1 1 20 22 13 o 14.5295 4.81687 -0.0720099   2.74194  -1.02009     2.69731  7.18241     88.5257     2.87145     88.5257     
1 1 1 20 22 14 o 18.1379 5.50867 1.47573      2.80135  2.86893      2.77817  11.5846     46.1004     7.13846     46.1004     
1 1 1 20 22 15 o 26.7304 6.16344 6.81856      2.91787  6.20861      2.91777  31.2379     327.155     15.6594     327.155     
1 1 1 20 22 16 o 21.2206 5.70812 6.02765      2.83717  1.31049      2.81515  20.2102     176.352     4.04606     176.352     
1 1 1 20 22 17 o 14.3594 4.68941 -2.76035     2.54229  1.58997      2.54203  1.7086      271.541     0.738939    271.541     
1 1 1 20 22 18 o 17.069  5.09049 4.59008      2.73138  -2.77044     2.55829  6.60591     175.446     4.0495      175.446     
1 1 1 20 22 19 o 14.7612 4.78492 -1.22652     2.67482  1.34154      2.41326  8.98307     271.553     2.85524     271.553     
1 1 1 20 22 20 o 14.6641 4.79134 1.11026      2.6066   -0.886981    2.50775  7.31851     292.38      8.44494     112.38      
1 1 1 20 22 21 o 23.3185 6.01445 5.3783       2.76787  5.16019      2.84891  23.0924     104.562     7.86663     104.562     
1 1 1 20 22 22 f 12.8528 4.35181 -0.857149    2.45056  -1.78198     2.46688  4.71886     298.435     0           0           
1 1 1 20 22 23 o 14.6121 4.7445  1.14894      2.45932  -0.615616    2.45957  4.55717     254.73      2.10046     74.7302     
1 1 1 20 22 24 o 11.9377 4.07269 -1.6997      2.26144  -1.57214     2.22961  1.41925     155.536     2.79364     335.536     
1 1 1 20 22 25 o 16.0985 5.13499 1.61466      2.55275  1.38802      2.85601  8.9297      268.439     0.893768    268.439     
1 1 1 20 22 26 f 12.6319 4.4082  -3.79601     2.48313  -0.200225    3.31409  6.90194     272.975     0           0           
1 1 1 20 22 27 f 15.5774 5.09031 1.60627      2.382    1.03561      3.53922  11.4827     122.188     0           0           
1 1 1 20 22 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 22 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 23 0  o 13.922  6.40304 1.3926       3.30392  1.3926       3.30392  11.1897     8.61968e-06 0.754835    8.61967e-06 
1 1 1 20 23 1  o 20.0462 5.81147 1.60204      2.90364  4.62559      2.99842  19.2586     116.668     5.4899      116.668     
1 1 1 20 23 2  o 18.1274 5.55724 2.27357      2.86903  1.88643      2.86845  14.8723     322.439     0.329304    142.439     
1 1 1 20 23 3  o 17.8724 5.52776 1.68032      2.90621  2.12957      2.88005  15.974      76.6096     5.17451     76.6096     
1 1 1 20 23 4  o 27.3728 6.36761 6.84077      3.1384   6.98626      3.0775   26.1837     202.877     2.20127     202.877     
1 1 1 20 23 5  o 13.9901 4.71501 -1.21637     2.7955   -1.27956     2.82708  5.73631     294.02      1.98412     294.02      
1 1 1 20 23 6  o 14.3246 4.80374 -1.06609     2.85903  -0.820384    2.83419  8.73438     232.552     2.00835     232.552     
1 1 1 20 23 7  f 12.4664 4.32569 -1.34162     2.94023  -5.03764     2.64733  4.6352      138.724     0           0           
1 1 1 20 23 8  o 27.5261 6.67093 8.7267       3.67055  6.42042      3.15043  24.7342     301.499     0.894428    121.499     
1 1 1 20 23 9  o 20.4989 6.12235 5.99256      3.55016  0.868787     3.46842  12.9787     108.636     10.4165     288.636     
1 1 1 20 23 10 o 14.7209 4.9515  -2.42256     2.73417  0.812863     3.31122  8.22214     8.70504     6.78375     188.705     
1 1 1 20 23 11 o 26.2697 6.28827 7.05464      3.0652   6.03503      3.0031   29.1797     73.77       12.4231     73.77       
1 1 1 20 23 12 o 18.7781 5.72674 2.61595      3.23687  2.83175      2.82087  16.0798     331.139     8.42147     331.139     
1 1 1 20 23 13 o 19.3442 5.42255 5.7413       2.82158  -0.692338    2.68611  15.8437     126.759     1.22551     306.759     
1 1 1 20 23 14 o 31.7562 5.57498 5.57628      2.89307  11.7831      2.91441  27.0766     263.377     5.60579     83.3774     
1 1 1 20 23 15 f 18.2409 5.53283 3.0517       2.89353  2.07046      2.67427  3.63855     93.0916     0           0           
1 1 1 20 23 16 o 18.832  5.59046 4.28904      2.85685  1.32939      2.79485  11.1242     339.078     6.56984     339.079     
1 1 1 20 23 17 o 15.9939 5.15394 1.14828      2.71474  0.906726     2.89488  9.56783     302.562     1.06561     302.562     
1 1 1 20 23 18 o 17.6275 5.30887 3.36682      2.53593  0.762225     2.74576  11.6678     335.025     2.25173     155.025     
1 1 1 20 23 19 o 12.1099 4.14405 -1.89819     2.30614  -1.8206      2.42826  1.86941     299.816     5.85232     119.816     
1 1 1 20 23 20 o 32.7778 6.04739 8.48348      2.84168  10.9049      3.33268  39.0834     206.17      22.0977     206.17      
1 1 1 20 23 21 o 21.8239 6.14512 2.9614       3.26492  6.90469      3.25805  18.3614     19.062      2.72883     19.062      
1 1 1 20 23 22 o 20.1182 5.94368 3.25891      3.22     5.24545      3.0621   14.0658     260.364     4.87589     80.3642     
1 1 1 20 23 23 o 13.8493 4.74402 -1.12677     2.92492  -0.48786     3.29882  3.6692      67.1555     0.354047    67.1555     
1 1 1 20 23 24 o 12.8641 4.47314 -1.66193     2.88016  -2.55543     3.33417  4.69539     40.2731     0.18135     40.273      
1 1 1 20 23 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 23 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 24 0  o 10.3522 5.07493 -1.04921     2.80317  -1.04921     2.80317  1.07811     180         0.710822    360         
1 1 1 20 24 1  o 18.5386 5.60188 0.160742     3.1217   4.32729      2.93501  15.4718     339.243     8.07896     339.243     
1 1 1 20 24 2  o 13.555  4.59163 -1.87438     2.76228  -0.817945    2.72764  7.82211     268.574     2.17279     88.5738     
1 1 1 20 24 3  o 20.814  5.48554 -1.33926     3.06634  6.93698      2.86475  20.8373     238.879     8.07759     238.879     
1 1 1 20 24 4  o 15.734  5.117   1.67881      2.99341  -0.417417    2.7053   10.2558     146.131     4.15515     326.131     
1 1 1 20 24 5  o 15.3997 5.04314 -0.684025    2.97219  1.18398      2.77775  3.80695     53.2379     1.85257     53.2379     
1 1 1 20 24 6  o 14.9355 4.92688 -0.56446     2.84501  0.577055     2.74917  10.153      104.406     0.178609    284.406     
1 1 1 20 24 7  o 15.7901 5.08114 2.71168      2.9206   -1.60806     2.65535  1.75253     270.777     0.930764    270.777     
1 1 1 20 24 8  o 17.0964 5.51147 2.80839      3.49641  0.422356     2.87547  11.4048     131.264     5.62031     131.264     
1 1 1 20 24 9  o 17.6294 5.6039  0.279973     3.49772  3.17432      3.09712  8.68472     158.882     12.6689     338.882     
1 1 1 20 24 10 o 16.4427 5.29904 2.3848       2.93313  -0.505616    3.16864  11.4512     130.336     1.79663     130.336     
1 1 1 20 24 11 o 26.9204 6.02767 5.57508      2.88834  8.04009      2.85822  27.2517     161.695     7.51134     161.695     
1 1 1 20 24 12 o 16.2492 5.11787 2.69413      2.6851   -0.361114    2.64246  9.43048     317.096     1.11836     317.096     
1 1 1 20 24 13 o 23.2581 6.36408 5.38832      3.78934  5.99737      2.94176  16.3676     53.7878     7.13724     233.788     
1 1 1 20 24 14 o 13.9843 4.71318 -1.05882     2.78029  -0.639516    2.83743  2.36378     231.852     0.981721    51.852      
1 1 1 20 24 15 o 16.1507 5.09006 2.5894       2.56381  -0.559266    2.81535  7.12612     24.882      1.73        204.882     
1 1 1 20 24 16 o 14.5091 4.79495 0.620949     2.4825   -0.853148    2.91965  5.35389     152.468     4.60149     332.468     
1 1 1 20 24 17 o 14.364  4.78478 1.69535      2.83879  -3.11686     2.82449  5.42012     22.3861     7.65023     202.386     
1 1 1 20 24 18 o 16.2521 5.16446 -1.77418     2.96119  3.72134      2.86509  5.63188     172.824     1.72786     172.824     
1 1 1 20 24 19 f 15.0743 5.04913 -2.68519     2.9027   3.13814      3.36533  6.75558     308.305     0           0           
1 1 1 20 24 20 o 17.0164 5.09302 4.30981      2.37251  -2.45195     3.53299  13.1932     356.291     3.36858     356.291     
1 1 1 20 24 21 o 13.4053 4.58399 -0.96458     2.19239  0.0325181    3.41059  6.73652     281.986     1.04247     281.986     
1 1 1 20 24 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 24 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 25 0  o 15.5691 6.71615 2.82159      3.04089  2.82159      3.04089  9.85572     8.73579e-06 3.76004     180         
1 1 1 20 25 1  o 14.9194 4.9548  -0.32613     2.65308  0.354306     3.11235  6.59554     131.272     2.27363     311.272     
1 1 1 20 25 2  o 14.9017 4.85514 2.17259      2.71409  -2.68993     2.71746  4.48987     286.359     0.147227    106.359     
1 1 1 20 25 3  o 16.3883 5.19147 2.25603      2.71147  0.320743     2.77472  6.77511     300.826     1.17368     300.826     
1 1 1 20 25 4  o 17.1772 5.31206 -0.0551908   2.77975  3.43045      2.78068  3.50899     182.863     1.21105     182.863     
1 1 1 20 25 5  o 15.0905 4.86989 2.54639      2.70009  -2.7435      2.64184  3.74842     239.573     0.226396    59.5725     
1 1 1 20 25 6  o 16.2482 5.31323 -0.120671    2.80094  2.17415      3.40564  7.97461     299.825     3.51043     119.825     
1 1 1 20 25 7  o 19.0859 5.65055 2.34447      2.88588  3.86065      2.76962  12.7677     35.1599     0.269007    35.1596     
1 1 1 20 25 8  o 16.5681 5.35415 1.83418      3.24716  0.956683     2.83887  7.68522     280.613     6.45277     100.613     
1 1 1 20 25 9  o 17.6924 5.60679 -1.3956      3.36029  4.66282      3.37203  9.26346     320.188     1.01984     320.188     
1 1 1 20 25 10 o 24.5551 6.04449 2.59959      2.84569  9.60719      3.34491  20.9126     267.43      13.314      267.43      
1 1 1 20 25 11 o 17.9119 5.6638  4.66681      3.6867   0.821424     2.61923  10.5301     179.335     2.2263      179.335     
1 1 1 20 25 12 o 16.8586 5.27292 4.5688       2.99391  -2.51196     3.01516  10.2441     150.525     2.18892     330.525     
1 1 1 20 25 13 o 16.1588 5.18202 0.255629     2.51961  3.04361      3.04169  9.17231     63.3212     4.47379     243.321     
1 1 1 20 25 14 o 13.912  4.63866 -0.0051459   2.40178  0.09035      2.76158  6.49121     294.315     2.36476     114.315     
1 1 1 20 25 15 o 19.2912 5.9495  2.86047      2.9633   6.00089      3.6651   15.9239     199.277     2.93452     199.277     
1 1 1 20 25 16 o 14.4161 4.79844 2.61311      2.77194  -5.29101     3.44619  4.63737     54.5603     1.60252     54.5603     
1 1 1 20 25 17 o 14.5851 4.87122 0.258949     2.24928  1.05327      3.45409  8.67885     312.008     2.89857     312.008     
1 1 1 20 25 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 25 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 26 0  f 9.08323 4.53452 -1.721       2.551    -1.721       2.551    3.53595     180         0           0           
1 1 1 20 26 1  o 14.8444 4.86014 1.49735      2.67676  -0.243863    2.61639  7.01939     150.791     5.83911     330.791     
1 1 1 20 26 2  o 16.3125 5.07592 3.78617      2.65866  -1.06215     2.66751  10.0487     226.391     0.873473    46.3913     
1 1 1 20 26 3  o 22.3402 6.07085 5.70132      2.83694  5.33356      3.07257  20.4812     211.928     6.62807     211.928     
1 1 1 20 26 4  o 13.309  4.49675 -2.37858     2.53262  0.753989     2.67765  2.69594     143.557     0.392236    323.557     
1 1 1 20 26 5  o 16.6444 5.18081 0.688806     2.65388  3.36781      2.64233  10.8415     194.304     1.88369     194.304     
1 1 1 20 26 6  o 14.2147 4.74228 0.644114     2.6142   -0.352358    2.83485  6.60901     64.8956     0.491138    244.896     
1 1 1 20 26 7  o 15.5151 5.18343 -1.86545     2.63069  4.17668      3.65617  3.68211     12.4608     1.35079     12.4608     
1 1 1 20 26 8  o 13.4156 4.54186 -1.23273     2.95908  -0.00892584  2.45552  3.22322     239.509     0.390045    239.51      
1 1 1 20 26 9  o 14.3855 4.96269 -0.553755    3.96334  -0.753585    3.19683  7.58269     299.254     0.980824    299.254     
1 1 1 20 26 10 o 16.2444 5.43216 3.55856      3.32057  -3.46553     4.96188  11.1688     212.989     3.90183     212.989     
1 1 1 20 26 11 o 17.1239 5.4885  2.68738      2.52816  2.40928      4.08721  12.9149     216.314     0.938274    36.3137     
1 1 1 20 26 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 26 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 26 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 27 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 27 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 27 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 27 3  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 27 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 20 27 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 0  1  o 23.6279 7.6943  4.63273      3.07213  4.63273      3.07213  18.9475     270         10.3407     90          
1 1 1 21 0  2  o 13.6876 6.13659 0.495312     2.79822  0.495312     2.79822  0.429483    360         8.80196     360         
1 1 1 21 0  3  o 148.376 2.34916 120.67       5.36134  120.67       5.36134  191.612     270         47.5764     270         
1 1 1 21 0  4  o 23.2068 7.50784 4.45536      2.92302  4.45536      2.92302  20.1938     180         5.8835      2.2311e-05  
1 1 1 21 0  5  o 81.8011 3.0037  37.0457      3.76019  37.0457      3.76019  101.626     90          18.2943     90          
1 1 1 21 0  6  o 90.127  2.81525 44.8337      3.88976  44.8337      3.88976  138.577     180         73.4368     180         
1 1 1 21 0  7  o 106.615 2.61304 62.5443      4.27827  62.5443      4.27827  130.088     90          19.2831     90          
1 1 1 21 0  8  o 11.021  5.28748 -1.27324     2.69118  -1.27324     2.69118  22.9719     8.65129e-06 68.6986     8.65129e-06 
1 1 1 21 0  9  o 24.9905 7.33212 4.97985      2.80876  4.97985      2.80876  30.2658     90          13.1854     90          
1 1 1 21 0  10 o 81.0247 2.95556 36.3823      3.6651   36.3823      3.6651   99.1687     1.3045e-06  15.5414     1.3045e-06  
1 1 1 21 0  11 o 23.8674 7.27782 4.63112      2.74889  4.63112      2.74889  13.5333     90          26.3328     270         
1 1 1 21 0  12 o 13.5217 6.02239 0.631431     2.64543  0.631431     2.64543  0.41958     360         1.0403      180         
1 1 1 21 0  13 o 11.913  5.53769 -0.288675    2.56927  -0.288675    2.56927  1.71274     270         19.1687     270         
1 1 1 21 0  14 o 39.7005 6.51718 10.2133      3.46542  10.2133      3.46542  59.1331     180         29.0512     180         
1 1 1 21 0  15 o 26.2268 7.11315 5.32952      2.71416  5.32952      2.71416  16.8177     90          25.1895     270         
1 1 1 21 0  16 o 59.6359 3.87441 20.2573      3.48524  20.2573      3.48524  83.6049     180         33.2886     180         
1 1 1 21 0  17 o 7.93103 4.03146 -3.91877     2.39067  -3.91877     2.39067  14.7956     90          41.1663     90          
1 1 1 21 0  18 f 90.7892 2.75091 45.6631      3.82982  45.6631      3.82982  98.7178     180         0           0           
1 1 1 21 0  19 o 62.7968 3.40012 22.2434      3.24245  22.2434      3.24245  102.703     90          64.8243     90          
1 1 1 21 0  20 o 20.987  7.05504 3.78471      2.59782  3.78471      2.59782  14.4285     1.70526e-06 17.3123     180         
1 1 1 21 0  21 o 53.6847 3.68779 16.496       2.97814  16.496       2.97814  70.381      90          20.8644     90          
1 1 1 21 0  22 o 19.636  6.93527 3.37292      2.55555  3.37292      2.55555  21.2719     180         10.8502     180         
1 1 1 21 0  23 o 33.0955 6.29867 7.47714      2.77376  7.47714      2.77376  30.3425     90          13.0369     270         
1 1 1 21 0  24 o 11.5564 5.39159 -0.241214    2.47024  -0.241214    2.47024  3.2577      2.1368e-05  1.84044     180         
1 1 1 21 0  25 o 12.6444 5.69959 0.514884     2.45253  0.514884     2.45253  2.86835     90.0001     0.665493    270         
1 1 1 21 0  26 o 10.5    5.05011 -1.06279     2.48667  -1.06279     2.48667  1.23079     7.43331e-06 6.00581     180         
1 1 1 21 0  27 o 11.8796 5.50728 -0.0126624   2.51538  -0.0126624   2.51538  1.95078     90          2.56582     270         
1 1 1 21 0  28 o 45.7619 4.58231 12.6623      3.04257  12.6623      3.04257  78.842      4.75325e-06 56.5242     4.75325e-06 
1 1 1 21 0  29 o 18.3887 7.00879 3.11309      2.75264  3.11309      2.75264  9.62214     270         4.79665     270         
1 1 1 21 0  30 o 18.9653 7.11639 3.38301      2.79874  3.38301      2.79874  13.1829     1.88182e-06 14.5043     180         
1 1 1 21 0  31 o 10.2604 5.00377 -1.48473     2.63818  -1.48473     2.63818  0.15187     90.0002     0.582835    270         
1 1 1 21 0  32 o 13.1131 5.8738  0.896862     2.55712  0.896862     2.55712  3.79535     180         0.195247    360         
1 1 1 21 0  33 o 15.2218 6.37528 2.02966      2.58309  2.02966      2.58309  13.9509     270         0.495705    90          
1 1 1 21 0  34 o 17.0464 7.02227 2.86415      3.04645  2.86415      3.04645  15.2191     1.15453e-06 5.98176     180         
1 1 1 21 0  35 o 11.6586 5.55756 -0.405196    2.88067  -0.405196    2.88067  2.88381     90          18.1906     270         
1 1 1 21 0  36 o 44.6015 4.96735 12.7682      3.15891  12.7682      3.15891  72.6313     3.54199e-06 48.1436     3.54199e-06 
1 1 1 21 0  37 o 11.6513 5.4571  0.160851     2.57037  0.160851     2.57037  5.53683     270         9.71552     90          
1 1 1 21 0  38 o 16.1645 6.63067 2.7084       2.69776  2.7084       2.69776  11.8117     0           11.0097     180         
1 1 1 21 0  39 o 12.4392 5.97761 -0.194284    3.46826  -0.194284    3.46826  0.440131    270.001     0.204573    270.001     
1 1 1 21 0  40 f 17.5821 7.58301 3.76164      3.8748   3.76164      3.8748   14.3663     180         0           0           
1 1 1 21 0  41 o 16.3765 6.70114 3.01858      2.74486  3.01858      2.74486  16.9722     90          0.195339    90          
1 1 1 21 0  42 o 9.31315 4.69675 -2.86458     2.99259  -2.86458     2.99259  0.859116    180         0.668094    360         
1 1 1 21 0  43 o 11.4605 5.45663 0.146775     2.76147  0.146775     2.76147  2.3795      270         0.0233798   270         
1 1 1 21 0  44 o 9.22028 4.613   -2.09552     2.68814  -2.09552     2.68814  0.00796965  0.000305412 0.124846    180         
1 1 1 21 0  45 o 9.66505 4.75615 -1.1229      2.52424  -1.1229      2.52424  0.26048     270         2.60151     89.9999     
1 1 1 21 0  46 o 22.4741 7.67974 6.15036      3.0926   6.15036      3.0926   18.3965     180         14.1712     180         
1 1 1 21 0  47 o 15.9009 6.64662 3.3395       2.79774  3.3395       2.79774  13.2557     270         6.61209     90          
1 1 1 21 0  48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 1  0  o 11.4213 5.46322 -1.2449      2.83052  -1.2449      2.83052  7.11262     270         26.4757     270         
1 1 1 21 1  1  o 78.7812 3.05532 35.1304      3.71845  33.8459      3.66606  102.172     315.662     29.38       315.662     
1 1 1 21 1  2  o 38.1066 5.35786 11.6793      3.01343  5.83265      3.04207  34.1848     36.6473     12.0751     216.647     
1 1 1 21 1  3  f 32.0043 5.99862 5.70926      3.0542   6.63061      2.96687  38.4259     106.804     0           0           
1 1 1 21 1  4  o 23.0355 6.01455 2.95489      2.83247  2.21343      2.82036  9.54772     294.119     3.3494      294.119     
1 1 1 21 1  5  o 19.7656 5.42414 -2.47358     2.74786  3.45223      2.69713  8.01532     85.5311     0.365732    265.531     
1 1 1 21 1  6  o 39.2886 5.20441 7.7462       3.01256  10.5597      3.03529  49.0402     130.575     16.4842     130.575     
1 1 1 21 1  7  o 24.7965 6.01538 1.59142      3.04192  4.74229      2.78928  15.8501     143.483     16.9222     323.483     
1 1 1 21 1  8  o 59.8842 3.61627 19.6995      3.33076  20.7227      3.27088  46.6963     153.695     39.7058     333.695     
1 1 1 21 1  9  o 37.8282 5.2651  7.4872       2.94399  9.58912      2.96704  37.5669     28.6492     5.49004     208.649     
1 1 1 21 1  10 o 66.0468 3.33046 23.0212      3.33264  25.9688      3.39055  59.3225     299.571     28.3133     119.571     
1 1 1 21 1  11 f 40.2408 4.90713 10.6493      2.97861  8.48952      2.87209  52.2632     311.714     0           0           
1 1 1 21 1  12 o 54.6507 3.81261 19.8365      3.16938  14.3498      3.09825  61.0765     300.834     2.05074     300.834     
1 1 1 21 1  13 o 56.5078 3.69647 16.4475      3.19127  19.8855      3.1349   61.9606     276.666     0.49808     96.6663     
1 1 1 21 1  14 o 50.3312 3.97895 15.2343      3.04099  13.8413      3.01566  67.9079     243.599     26.877      243.599     
1 1 1 21 1  15 o 31.7334 5.36746 2.90197      2.78144  9.50552      2.78089  20.671      9.00961     25.8723     189.01      
1 1 1 21 1  16 o 33.4992 5.51072 7.04838      2.78611  6.71797      2.79252  35.6203     268.691     1.64085     268.691     
1 1 1 21 1  17 o 42.3396 4.56423 10.3257      2.83802  10.8298      2.92585  47.5225     244.658     3.99305     244.658     
1 1 1 21 1  18 o 16.7861 5.16463 -0.334117    2.50435  0.25274      2.49406  8.76907     98.7769     6.84309     278.777     
1 1 1 21 1  19 o 21.0152 5.67816 2.03366      2.53875  2.20684      2.5805   15.9039     107.924     6.52808     107.924     
1 1 1 21 1  20 o 79.5993 2.90126 38.3862      3.53948  32.883       3.53197  100.114     173.634     24.0358     173.634     
1 1 1 21 1  21 o 28.4079 5.6512  3.75052      2.62332  6.35298      2.64347  28.8668     93.8502     0.382979    273.85      
1 1 1 21 1  22 o 19.6728 5.58845 1.69218      2.62746  1.37859      2.54654  17.837      339.221     7.67499     339.221     
1 1 1 21 1  23 o 21.6832 5.71889 2.68868      2.6149   2.38257      2.50712  21.1825     47.4039     13.9496     47.4039     
1 1 1 21 1  24 o 17.6757 5.32282 1.28089      2.63603  -0.182481    2.48918  15.7718     122.497     2.85427     122.497     
1 1 1 21 1  25 o 38.2585 4.95229 9.67468      2.80566  8.51882      2.80972  37.8298     105.612     6.60979     285.612     
1 1 1 21 1  26 o 16.9102 5.06107 -1.70386     2.47174  1.94276      2.39532  9.00671     131.445     3.15738     131.445     
1 1 1 21 1  27 o 22.3254 5.71802 4.10595      2.62094  1.74025      2.59011  11.669      91.9684     7.96196     91.9684     
1 1 1 21 1  28 o 16.643  5.13397 -0.135439    2.43922  0.614974     2.52736  5.46759     222.374     20.0699     42.3738     
1 1 1 21 1  29 o 28.0414 5.74142 4.45057      2.64525  6.11334      2.64924  25.0808     47.4524     7.12436     227.452     
1 1 1 21 1  30 o 20.7721 5.68244 -0.351631    2.72019  4.3907       2.89985  5.99307     184.008     3.83283     184.008     
1 1 1 21 1  31 o 19.8024 5.73066 2.87321      2.77539  0.692901     2.92373  18.5814     182.423     5.9295      182.423     
1 1 1 21 1  32 o 21.628  5.61808 4.74182      2.55855  0.441515     2.93288  23.6325     106.946     10.3591     106.946     
1 1 1 21 1  33 o 16.2946 5.06805 1.7364       2.44857  -2.16738     2.8409   12.7127     174.464     4.28969     174.464     
1 1 1 21 1  34 o 18.6598 5.56816 -1.35171     2.90206  3.6425       2.99618  16.3953     332.6       2.47535     152.6       
1 1 1 21 1  35 o 17.5235 5.42204 1.39751      2.67902  0.583304     2.91969  16.8857     242.455     7.18038     242.455     
1 1 1 21 1  36 o 18.2253 5.41235 0.985825     2.60112  2.39723      2.59082  17.3511     235.423     3.17144     235.423     
1 1 1 21 1  37 o 22.8427 5.87757 4.86197      2.69555  3.32212      2.73227  17.7823     79.6419     10.0861     259.642     
1 1 1 21 1  38 o 16.1802 5.31621 -0.263657    3.52641  0.00971905   2.86302  14.8854     137.164     4.75377     137.164     
1 1 1 21 1  39 o 23.5122 6.5913  4.79563      3.45538  5.70334      3.64797  25.3913     149.37      4.69123     149.37      
1 1 1 21 1  40 o 15.2046 4.99539 1.82764      2.93421  -3.67162     3.01207  12.9969     138.264     5.31834     138.264     
1 1 1 21 1  41 o 19.0803 5.90036 4.39862      3.48714  0.923123     3.20401  14.9289     91.0449     9.97427     91.0449     
1 1 1 21 1  42 o 13.8494 4.63194 0.177347     2.64428  -1.86165     2.61724  9.44375     29.2593     2.93215     29.2593     
1 1 1 21 1  43 o 19.5443 5.70439 2.14743      2.73072  4.47467      2.91484  18.8202     254.227     2.04164     254.227     
1 1 1 21 1  44 o 18.7714 5.57479 1.48517      2.77267  4.16691      2.82546  2.24834     57.8155     1.33559     57.8155     
1 1 1 21 1  45 o 16.9607 5.19952 -2.54027     3.12752  4.13         2.70405  11.5        306.393     3.2281      306.393     
1 1 1 21 1  46 o 15.2554 5.01908 1.11288      3.04666  0.843532     2.66883  10.986      201.919     1.83965     21.9185     
1 1 1 21 1  47 o 15.953  5.11226 1.13024      2.78108  2.33963      2.67847  11.5046     170.993     6.61281     170.993     
1 1 1 21 1  48 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 2  0  o 34.5672 6.5458  7.95296      3.01054  7.95296      3.01054  36.9463     270         4.04951     90          
1 1 1 21 2  1  o 26.2951 5.994   1.56502      3.04419  5.84379      2.89942  22.4888     302.63      2.65992     122.63      
1 1 1 21 2  2  o 60.2323 3.76263 18.5934      3.50608  22.3657      3.35637  63.5639     1.13592     5.68816     181.136     
1 1 1 21 2  3  o 26.7975 6.21325 3.88567      3.03235  4.36278      2.89609  15.8707     184.141     21.4752     4.14127     
1 1 1 21 2  4  f 55.9764 4.1009  17.0482      3.48553  18.5649      3.47507  37.5919     22.3534     0           0           
1 1 1 21 2  5  o 42.7978 5.29729 6.04118      3.2635   16.5472      3.20821  49.2666     181.67      7.41368     181.67      
1 1 1 21 2  6  o 19.6639 5.7529  1.79343      2.88295  -0.303294    2.90316  8.19851     298.364     0.595331    298.364     
1 1 1 21 2  7  o 39.3702 5.34764 9.50672      3.12396  8.90611      3.12383  41.2218     45.3898     1.5316      225.39      
1 1 1 21 2  8  o 22.1202 5.95392 1.03496      2.88912  3.16401      2.84905  15.9997     144.18      7.83226     324.18      
1 1 1 21 2  9  o 16.884  5.20884 -2.83266     2.79105  1.09308      2.62241  3.05649     215.92      23.1913     35.9195     
1 1 1 21 2  10 o 28.3207 5.98735 6.03719      2.91643  3.60059      2.80717  27.3831     324.967     1.35612     144.967     
1 1 1 21 2  11 o 104.981 2.66535 60.79        4.40394  61.4364      4.19566  129.702     352.328     24.5138     352.328     
1 1 1 21 2  12 o 27.3986 5.83188 6.5995       2.90643  2.24944      2.74754  19.6928     185.03      16.4883     5.03        
1 1 1 21 2  13 o 24.1682 6.05766 2.50326      2.71854  3.9034       2.95664  20.358      253.719     4.79548     73.7188     
1 1 1 21 2  14 o 18.4687 5.45109 1.33176      2.62786  0.0169023    2.57835  11.0299     259.525     1.79174     79.5253     
1 1 1 21 2  15 o 35.6212 5.32343 4.89572      2.95342  10.7705      2.77607  38.4173     305.796     2.05517     305.796     
1 1 1 21 2  16 o 71.937  3.12909 27.4434      3.44644  30.8012      3.44253  77.2415     187.023     5.01262     7.0231      
1 1 1 21 2  17 o 17.5848 5.28077 -0.842437    2.57815  1.32617      2.5249   7.50811     269.946     15.6028     89.9463     
1 1 1 21 2  18 o 43.869  4.68244 14.9738      3.06493  8.28674      2.90141  41.4623     267.279     12.2281     87.2785     
1 1 1 21 2  19 o 49.7543 4.21367 16.9093      3.35478  12.1626      2.9552   62.7253     174.386     17.6044     174.386     
1 1 1 21 2  20 o 36.8067 5.17349 9.36549      2.90756  7.25329      2.75232  49.9954     118.133     23.8371     118.133     
1 1 1 21 2  21 o 14.7076 4.76996 -1.84339     2.49741  -0.859008    2.42403  4.97494     146.501     15.0207     326.501     
1 1 1 21 2  22 o 20.4916 5.53151 0.24004      2.50137  3.41185      2.60614  13.6814     151.598     8.62122     151.598     
1 1 1 21 2  23 o 17.1247 5.1976  0.334917     2.49831  0.413671     2.42132  13.4959     93.3787     4.16734     273.379     
1 1 1 21 2  24 o 31.0499 5.53801 7.23433      2.66015  5.16193      2.68219  38.4465     107.286     12.6968     107.286     
1 1 1 21 2  25 o 28.3219 5.19692 1.57922      2.60058  8.53208      2.63757  30.0291     109.834     1.69649     109.834     
1 1 1 21 2  26 o 26.4708 5.92849 4.90345      2.6251   4.3104       2.81518  19.5409     3.66026     15.4019     183.66      
1 1 1 21 2  27 o 14.4175 4.72115 -1.16772     2.43538  -1.58988     2.53781  6.81847     272.928     7.24522     92.9278     
1 1 1 21 2  28 o 28.2281 5.92287 6.50142      2.72427  4.17915      2.94347  32.2668     34.4504     8.65926     34.4504     
1 1 1 21 2  29 o 22.2953 5.81112 4.26584      2.61287  1.23205      2.98196  12.1637     303.317     20.1627     123.317     
1 1 1 21 2  30 o 14.7956 4.79724 0.139139     2.50571  -2.56968     2.56942  3.62245     195.206     19.1007     15.2063     
1 1 1 21 2  31 o 22.3775 5.83306 4.83597      2.7867   1.22307      2.85997  12.5641     271.606     19.8346     91.6059     
1 1 1 21 2  32 o 17.346  5.28129 0.816415     2.62412  1.00535      2.48827  8.59483     54.7698     15.756      234.77      
1 1 1 21 2  33 o 22.9193 5.89073 5.12727      2.86755  2.26625      2.66723  11.1664     129.868     24.6484     309.868     
1 1 1 21 2  34 o 19.9674 5.79986 -0.250987    2.9846   4.27809      3.10017  22.0162     10.3115     8.72953     10.3115     
1 1 1 21 2  35 o 31.4159 6.08724 9.17603      3.01459  6.07599      3.23445  30.3863     202.178     4.69899     22.1779     
1 1 1 21 2  36 o 19.3016 5.79868 -0.388279    2.93433  4.11299      3.31358  10.5837     30.4924     6.93413     30.4924     
1 1 1 21 2  37 o 16.6338 5.50406 -0.561455    2.85407  0.194537     4.08719  13.9715     294.854     4.37412     294.854     
1 1 1 21 2  38 o 16.5214 5.32301 0.834687     3.01465  0.146254     2.9623   15.806      96.0315     4.29224     96.0315     
1 1 1 21 2  39 f 15.0685 4.87762 -0.707033    2.52498  0.771948     2.59324  11.0443     273.354     0           0           
1 1 1 21 2  40 o 14.6768 4.81966 -0.449265    2.66024  -0.0250744   2.57921  0.198302    114.096     0.11331     114.096     
1 1 1 21 2  41 o 22.8523 5.99882 4.78659      2.77707  4.73978      2.84692  24.1735     56.2029     18.2512     56.2029     
1 1 1 21 2  42 f 14.4725 4.91603 -1.8629      3.30525  -0.59896     3.10258  2.00947     264.188     0           0           
1 1 1 21 2  43 o 13.9376 4.79783 -1.08696     3.43053  -2.85348     3.12734  5.87461     25.4579     1.71369     25.4579     
1 1 1 21 2  44 o 23.1605 6.09071 6.12075      2.98453  4.473        2.85774  20.9291     284.272     1.5914      104.272     
1 1 1 21 2  45 o 19.1705 5.70513 3.59155      2.86903  3.12029      2.8652   14.6989     316.077     4.57815     136.077     
1 1 1 21 2  46 o 14.9895 4.92423 1.23847      2.83418  0.545061     2.62984  10.3608     129.163     3.56541     309.163     
1 1 1 21 2  47 o 19.0331 5.58782 1.45058      3.13296  5.47996      2.77266  20.4468     242.642     7.08875     242.642     
1 1 1 21 3  0  o 25.5627 7.96539 5.36291      3.28723  5.36291      3.28723  27.5765     270         3.03666     270         
1 1 1 21 3  1  o 32.9847 5.93537 9.11253      3.08339  3.9855       3.25128  25.098      179.871     18.4963     359.871     
1 1 1 21 3  2  o 29.636  6.17166 3.00007      2.98928  7.47403      3.29324  17.9832     106.866     25.0165     286.866     
1 1 1 21 3  3  f 43.0569 5.10278 9.3653       3.23405  12.4655      3.25486  37.5341     256.897     0           0           
1 1 1 21 3  4  o 26.1394 6.22034 3.09497      2.98835  4.59971      2.98771  16.3235     306.917     19.3709     126.917     
1 1 1 21 3  5  o 18.3763 5.50747 -2.18484     2.89174  1.79038      2.82974  9.31388     72.8174     7.12108     252.817     
1 1 1 21 3  6  o 29.0443 6.15149 5.84548      2.9675   4.25546      3.01764  17.1559     168.341     26.0496     348.341     
1 1 1 21 3  7  o 27.1073 5.84315 6.68609      2.91407  1.55266      2.91289  22.3133     72.659      9.52689     252.659     
1 1 1 21 3  8  o 46.91   4.62799 11.7623      3.21922  13.8093      3.26932  46.8177     224.912     8.62073     44.9119     
1 1 1 21 3  9  o 50.4583 4.31991 15.143       3.27123  14.1611      3.30004  56.207      82.7769     2.20669     82.7769     
1 1 1 21 3  10 o 71.4908 3.36865 31.2428      3.67073  26.2685      3.67938  72.9882     242.435     12.9595     62.4351     
1 1 1 21 3  11 o 24.5979 5.92269 1.49428      2.86844  4.93598      2.80256  22.9529     307.037     0.920017    307.037     
1 1 1 21 3  12 o 29.5003 6.01512 6.63308      2.95671  3.98511      2.92252  30.4941     130.472     2.23348     130.472     
1 1 1 21 3  13 o 42.3996 4.92374 10.2859      3.09053  10.9952      3.11428  47.1107     53.5226     3.20078     53.5226     
1 1 1 21 3  14 f 18.9206 5.62032 0.553291     2.90566  0.853898     2.64396  11.9749     263.668     0           0           
1 1 1 21 3  15 o 33.2519 6.18022 8.5617       3.52973  5.4303       2.93013  36.3687     325.851     4.51567     325.851     
1 1 1 21 3  16 o 56.1507 3.89414 19.2766      3.51423  16.9883      3.13656  65.4643     55.3911     7.90741     55.3911     
1 1 1 21 3  17 o 57.0825 3.76647 20.8122      3.39427  16.663       3.1411   60.4031     45.2428     4.58822     225.243     
1 1 1 21 3  18 o 44.9894 4.43245 14.2292      2.96003  9.76631      2.92067  48.9361     158.806     0.560794    158.807     
1 1 1 21 3  19 o 57.0138 3.6436  17.3613      3.1685   19.9319      3.14368  72.402      239.009     20.2062     239.009     
1 1 1 21 3  20 f 53.6299 3.75885 18.0997      3.0909   15.1178      3.01908  47.6198     164.82      0           0           
1 1 1 21 3  21 o 59.5383 3.52449 18.1494      3.19824  22.6015      3.16465  74.2406     204.956     17.8273     204.956     
1 1 1 21 3  22 o 23.0714 5.7403  1.63705      2.53354  4.3991       2.70136  17.7266     305.44      11.3752     125.44      
1 1 1 21 3  23 o 29.9947 5.7715  4.76462      2.65446  6.86687      2.86145  33.6548     37.1563     4.86183     37.1563     
1 1 1 21 3  24 o 37.5392 5.11525 7.85158      2.80507  9.79765      2.89137  34.9584     210.767     10.8389     30.7669     
1 1 1 21 3  25 o 21.2846 5.64499 3.14538      2.53489  1.81376      2.52141  20.0551     136.914     0.254434    136.914     
1 1 1 21 3  26 o 27.0537 5.75101 4.1301       2.61933  5.51713      2.60273  25.6141     187.734     3.63479     7.73379     
1 1 1 21 3  27 o 13.9157 4.58072 -1.44806     2.4315   -1.57299     2.33885  3.06789     154.535     0.618751    334.535     
1 1 1 21 3  28 f 28.9967 5.9402  5.65748      2.73092  5.72887      2.88025  37.0309     252.879     0           0           
1 1 1 21 3  29 o 18.1943 4.92927 -3.52846     2.44536  3.90603      2.41072  11.1924     352.875     11.1705     172.875     
1 1 1 21 3  30 o 36.4122 5.59455 9.13749      3.03455  8.70442      3.05999  35.7141     358.316     5.35117     178.316     
1 1 1 21 3  31 o 16.8278 5.37199 -0.097919    3.19317  -0.154295    2.71251  11.7131     191.941     2.79397     191.941     
1 1 1 21 3  32 o 22.4507 5.7286  5.80958      2.95218  0.700745     2.57428  13.5951     71.798      18.1502     251.798     
1 1 1 21 3  33 o 16.8699 5.32191 0.0436045    2.95728  0.686855     2.68208  13.9137     94.7239     1.80386     274.724     
1 1 1 21 3  34 o 16.659  5.39855 0.47937      2.84322  -1.13222     3.51816  2.10697     276.783     1.32834     276.783     
1 1 1 21 3  35 o 24.4613 6.6823  3.92883      3.56751  5.91057      3.64361  27.1669     104.941     7.19217     104.941     
1 1 1 21 3  36 o 18.887  5.69513 2.48314      2.86523  1.31881      3.01925  18.0005     211.055     8.33069     211.055     
1 1 1 21 3  37 f 22.9798 5.81191 5.31328      2.67628  2.95256      2.68738  20.0417     108.603     0           0           
1 1 1 21 3  38 o 15.452  4.92652 1.66161      2.53175  -1.69365     2.63736  14.3735     183.025     5.28526     183.025     
1 1 1 21 3  39 o 20.3439 5.56173 -0.186591    2.72193  5.77889      2.87338  21.2671     206.144     3.4178      206.144     
1 1 1 21 3  40 o 16.78   5.31006 -0.386755    3.15716  2.2005       2.70444  15.6888     56.5235     2.12324     56.5235     
1 1 1 21 3  41 o 15.8094 5.17705 0.246686     3.02659  0.505766     2.95113  10.2018     196.54      8.84525     16.54       
1 1 1 21 3  42 f 14.4967 4.75085 0.805821     2.51912  -0.914559    2.57972  8.8323      146.775     0           0           
1 1 1 21 3  43 o 19.8265 5.81328 0.838624     3.10084  5.73493      3.13995  18.7085     285.602     1.88538     285.602     
1 1 1 21 3  44 o 19.7429 5.88766 4.6492       3.08457  2.38464      3.1673   12.7107     225.96      6.7447      225.96      
1 1 1 21 3  45 o 12.8976 4.39012 -1.97266     2.63652  -0.829805    2.53125  1.8083      161.633     0.248402    341.633     
1 1 1 21 3  46 o 16.4267 5.23115 0.215994     2.95858  3.42204      2.81875  14.1018     209.538     3.07979     209.538     
1 1 1 21 3  47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 4  0  f 28.945  7.83719 6.46183      3.29724  6.46183      3.29724  17.9445     90          0           0           
1 1 1 21 4  1  o 22.9405 6.21803 3.31135      3.09244  1.12466      3.18496  8.60073     85.8521     27.8806     265.852     
1 1 1 21 4  2  o 51.7712 4.62183 16.6129      3.62307  14.3383      3.56697  34.0176     336.366     46.1711     156.366     
1 1 1 21 4  3  o 48.9371 4.71882 12.3675      3.32139  15.4568      3.59497  39.3152     273.57      28.7722     93.5702     
1 1 1 21 4  4  o 20.6443 5.84193 0.00725734   2.86498  2.57227      2.91864  12.1636     63.605      12.4077     243.605     
1 1 1 21 4  5  o 33.9286 6.02233 6.60912      3.20652  7.41803      3.08502  19.2741     109.237     33.8271     289.237     
1 1 1 21 4  6  o 18.7173 5.63691 1.47205      2.96822  -1.24462     2.87895  9.02363     223.469     0.293114    43.4693     
1 1 1 21 4  7  o 28.8231 5.98615 7.10738      2.98552  2.68158      3.03017  30.8526     210.309     5.86299     210.309     
1 1 1 21 4  8  o 69.6862 3.40524 28.856       3.66829  25.7542      3.58955  85.332      38.9119     16.3993     38.9119     
1 1 1 21 4  9  f 53.4025 4.24506 16.7442      3.53275  16.02        3.32823  60.7648     277.118     0           0           
1 1 1 21 4  10 o 48.7531 4.59486 12.6312      3.43638  15.0444      3.23611  67.0229     94.0865     29.4324     94.0865     
1 1 1 21 4  11 o 17.8546 5.43978 -1.49339     2.86436  1.14831      2.72469  6.53637     45.3151     17.8622     225.315     
1 1 1 21 4  12 o 18.0864 5.44781 1.99937      2.82054  -3.26207     3.02106  1.36269     299.927     37.6175     299.927     
1 1 1 21 4  13 f 25.169  6.04999 3.66617      2.79917  3.67977      2.80359  24.1894     358.253     0           0           
1 1 1 21 4  14 o 32.4997 5.87526 8.36053      2.87912  4.68624      3.21085  23.1927     47.5751     22.1562     227.575     
1 1 1 21 4  15 o 17.0086 5.34064 -1.66751     2.94589  0.273558     2.73221  8.24536     67.4722     2.68055     247.472     
1 1 1 21 4  16 o 32.7285 5.81147 10.1433      3.30031  3.50559      2.90123  15.5952     197.593     38.6264     17.5927     
1 1 1 21 4  17 o 24.2726 5.61115 5.8482       2.75565  0.236137     2.74759  25.425      277.252     8.69721     277.252     
1 1 1 21 4  18 f 69.5099 3.36212 24.7417      3.53132  30.2188      3.59909  61.8343     203.438     0           0           
1 1 1 21 4  19 o 34.9698 5.53284 7.02912      2.86628  8.19086      2.94787  37.5105     84.712      1.50771     84.712      
1 1 1 21 4  20 o 22.6118 5.54359 4.88312      2.60677  0.0318353    2.69054  23.826      196.496     12.3492     196.496     
1 1 1 21 4  21 o 38.0749 5.22984 8.75724      2.7935   9.13356      3.11592  24.2653     85.074      34.0259     265.074     
1 1 1 21 4  22 o 55.5461 3.85877 16.086       3.23301  19.9368      3.24705  59.6618     165.661     2.59251     345.661     
1 1 1 21 4  23 o 19.7578 5.51811 1.15046      2.50385  2.31607      2.49765  19.2026     176.149     9.79963     176.149     
1 1 1 21 4  24 o 58.9105 3.48815 19.906       3.16519  20.3169      3.10385  77.3238     166.16      26.0968     166.16      
1 1 1 21 4  25 f 21.5985 5.84207 2.24137      2.56011  2.90815      2.86192  34.4459     42.9988     0           0           
1 1 1 21 4  26 o 27.3059 5.78808 5.23047      2.67198  4.68299      2.58195  34.2804     159.853     17.5124     159.853     
1 1 1 21 4  27 o 34.0449 5.34725 6.22023      2.7492   8.89313      2.73852  44.9815     15.6612     20.6654     15.6612     
1 1 1 21 4  28 o 17.4796 5.2486  1.08612      2.4681   0.492718     2.46182  9.38631     243.636     3.15513     243.636     
1 1 1 21 4  29 f 21.5797 5.70682 1.1049       2.66033  4.1573       2.68855  10.2413     330.53      0           0           
1 1 1 21 4  30 o 16.4666 5.10124 -2.14781     2.59803  1.76054      2.61885  8.86882     207.385     11.5911     27.3853     
1 1 1 21 4  31 o 17.7029 5.54529 -0.71805     2.73073  1.71366      3.27022  14.3516     151.65      0.367377    331.65      
1 1 1 21 4  32 o 16.7787 5.05974 2.58033      2.49005  -2.5172      2.63786  14.2577     69.9081     1.58303     69.9081     
1 1 1 21 4  33 o 20.4538 5.96916 0.715174     3.0053   4.05701      3.25558  18.5575     97.0734     2.11352     277.073     
1 1 1 21 4  34 o 18.2878 5.86037 0.993234     3.55884  0.323681     3.56702  17.0532     322.357     1.14167     322.357     
1 1 1 21 4  35 o 16.4837 5.26717 -2.62485     2.87994  2.10188      3.06008  9.03883     97.49       13.0113     277.49      
1 1 1 21 4  36 o 17.9611 4.89641 4.95459      2.57761  -4.91663     2.49358  11.9964     223.299     10.2635     43.2993     
1 1 1 21 4  37 o 15.3573 4.92232 -2.65772     2.68361  1.73532      2.6302   6.51114     15.1437     3.46972     15.1437     
1 1 1 21 4  38 o 14.2141 4.73453 -3.78622     2.9967   0.468513     2.6296   9.83037     202.911     6.35577     22.9113     
1 1 1 21 4  39 o 19.1328 5.58423 2.41732      2.63361  2.96503      2.70523  12.8254     290.269     9.4215      290.269     
1 1 1 21 4  40 o 13.8009 4.59866 0.585406     2.50411  -3.39413     2.79713  10.5788     320.24      0.388262    320.24      
1 1 1 21 4  41 o 14.4233 4.74496 0.549084     2.53692  -1.10955     2.62196  10.4819     312.217     3.79814     312.217     
1 1 1 21 4  42 o 20.8715 5.69499 1.91078      2.73094  5.67729      2.7791   23.6393     216.487     9.5142      216.487     
1 1 1 21 4  43 o 19.3908 5.67955 2.9787       2.72319  3.63776      2.82547  18.3874     355.654     8.25641     355.654     
1 1 1 21 4  44 o 24.3084 6.23893 2.38148      3.33975  9.66478      3.49808  26.0873     347.604     14.8597     347.604     
1 1 1 21 4  45 o 14.668  4.97242 0.276798     3.09841  -1.24697     3.40985  5.34189     272.099     1.24485     272.099     
1 1 1 21 4  46 o 13.5805 4.58284 -0.105195    2.54684  -0.565938    2.81475  5.66294     345.774     1.96611     345.774     
1 1 1 21 4  47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 5  0  o 37.2869 6.81482 9.22247      3.38132  9.22247      3.38132  31.2965     90          21.3001     270         
1 1 1 21 5  1  o 27.2891 6.16096 1.46595      3.14702  6.75743      3.21252  21.424      355.722     11.7462     175.722     
1 1 1 21 5  2  o 19.7763 5.9191  -1.2526      3.30643  1.73327      3.11371  7.4365      238.254     1.63379     238.254     
1 1 1 21 5  3  o 28.76   6.12629 7.18432      3.09877  2.38819      3.20697  17.9791     287.965     23.4303     107.965     
1 1 1 21 5  4  o 66.5403 3.58339 21.1197      3.39738  29.0947      3.87945  93.9269     2.04352     41.6496     2.04352     
1 1 1 21 5  5  o 59.6998 3.86326 21.8055      3.54118  18.7121      3.47018  70.0135     232.291     8.76519     232.291     
1 1 1 21 5  6  o 28.1138 6.21735 3.79576      3.03713  5.63173      3.01263  16.8343     69.6428     24.1944     249.643     
1 1 1 21 5  7  o 79.9778 3.20094 32.8532      3.91738  38.8573      3.91127  88.7399     352.188     0.276092    172.187     
1 1 1 21 5  8  o 25.1185 6.06941 3.33502      2.96602  3.80741      2.69334  21.7707     336.807     4.21881     156.807     
1 1 1 21 5  9  o 27.9216 5.94791 3.46551      2.8349   5.89257      2.82032  24.2367     207.291     7.4973      27.2908     
1 1 1 21 5  10 o 45.7884 4.52683 11.5963      3.01763  12.8483      3.19203  53.2873     346.671     7.87448     346.671     
1 1 1 21 5  11 o 20.1211 5.48547 -1.81668     2.68076  3.68978      2.75484  9.81984     302.38      3.32294     302.38      
1 1 1 21 5  12 o 19.3949 5.62868 1.03746      2.64507  1.16095      2.73498  12.9878     347.262     4.3596      167.262     
1 1 1 21 5  13 o 40.58   5.08741 12.2472      2.914    7.67788      3.10479  14.1183     214.827     60.1854     34.8271     
1 1 1 21 5  14 o 54.3102 4.12955 13.5944      3.17192  20.8884      3.56371  50.6522     86.7351     17.7736     266.735     
1 1 1 21 5  15 o 25.7765 6.17643 3.59079      2.66593  4.35922      3.17296  15.5545     52.017      21.1531     232.017     
1 1 1 21 5  16 o 26.5367 5.41839 7.65838      2.80009  -0.330239    2.96053  24.865      23.98       2.9398      203.98      
1 1 1 21 5  17 o 19.1688 5.60102 0.741729     2.69863  1.36448      2.68758  4.81688     127.115     27.3908     307.115     
1 1 1 21 5  18 o 67.0308 3.4223  24.2299      3.49911  26.9478      3.5102   68.3454     85.4349     10.9683     265.435     
1 1 1 21 5  19 o 19.8596 5.64175 2.35401      2.66292  0.472149     2.71011  16.3245     279.43      2.57074     99.4299     
1 1 1 21 5  20 o 35.7701 5.40747 7.73448      2.94702  8.20009      2.82938  27.9281     221.431     20.952      41.4311     
1 1 1 21 5  21 o 28.1979 5.88078 5.56124      2.81476  4.61694      2.64885  25.3058     162.062     8.20338     342.062     
1 1 1 21 5  22 o 18.8212 5.35328 2.67701      2.53649  -0.466396    2.46095  13.195      201.67      7.78314     201.67      
1 1 1 21 5  23 o 51.5208 4.04609 18.0304      3.19959  13.522       3.0666   73.3803     147.213     35.45       147.213     
1 1 1 21 5  24 o 19.3917 5.39336 3.15898      2.5289   -0.324882    2.5046   12.61       57.1124     12.0199     237.112     
1 1 1 21 5  25 o 32.0752 5.53932 6.99973      2.7413   6.45372      2.68445  38.3509     52.2526     11.0887     52.2526     
1 1 1 21 5  26 o 20.091  5.3678  -0.941047    2.55037  4.11212      2.5807   18.817      179.446     5.55903     179.446     
1 1 1 21 5  27 o 34.9273 5.25375 6.40333      2.7298   9.45172      2.76515  40.2533     208.151     7.88639     208.151     
1 1 1 21 5  28 f 47.5326 4.71497 17.4365      3.03145  10.9452      3.37074  42.7976     300.787     0           0           
1 1 1 21 5  29 o 16.1605 5.10409 -0.481331    2.57198  0.217722     2.6192   8.72917     9.82122     10.3268     189.821     
1 1 1 21 5  30 o 21.8942 5.6622  5.27691      2.80952  0.00461439   2.77765  23.4668     303.453     11.4538     303.453     
1 1 1 21 5  31 o 44.5404 4.90589 11.2854      3.2953   14.7687      3.1183   53.7397     0.982879    12.7439     0.982879    
1 1 1 21 5  32 o 20.4761 5.76829 4.264        2.91584  0.328687     2.88825  16.8015     126.777     6.06725     306.777     
1 1 1 21 5  33 o 27.6107 7.02153 7.28715      3.88111  5.84956      3.75529  31.6893     147.129     8.39509     147.129     
1 1 1 21 5  34 o 38.6871 6.8497  15.9598      4.38399  8.91467      3.99134  49.131      235.27      17.9237     235.27      
1 1 1 21 5  35 o 23.113  6.26541 3.1968       3.98225  4.79666      2.70668  25.5212     114.545     7.88355     114.545     
1 1 1 21 5  36 o 17.5722 5.35143 1.70642      2.67969  1.23014      2.56898  11.6047     216.895     9.94954     36.8954     
1 1 1 21 5  37 o 22.1778 6.1044  5.30064      3.24629  2.92014      2.78191  26.5246     321.664     17.4834     321.664     
1 1 1 21 5  38 o 13.089  4.43788 -1.63069     2.55117  -1.97481     2.59468  10.3179     340.135     1.96628     340.135     
1 1 1 21 5  39 o 27.0376 5.98346 5.39846      2.82273  7.2711       2.7967   26.9392     27.0187     0.9892      207.019     
1 1 1 21 5  40 o 16.6158 5.18093 1.67434      2.562    1.05831      2.62346  15.7935     267.936     4.60219     267.936     
1 1 1 21 5  41 o 18.6788 5.4161  -0.296007    2.68618  4.92343      2.78351  17.6323     60.5662     0.752311    60.5663     
1 1 1 21 5  42 o 18.6081 5.53315 1.72887      2.77742  3.69851      2.71321  18.6707     242.489     5.89246     242.489     
1 1 1 21 5  43 o 17.1456 5.28962 2.80126      2.68536  0.978911     2.6414   13.2125     2.79695     0.491913    182.797     
1 1 1 21 5  44 o 18.2004 5.46259 3.99575      2.77786  1.18195      2.69628  14.6903     142.073     3.0983      142.073     
1 1 1 21 5  45 o 13.517  4.62546 -0.643974    2.88415  -1.63788     3.03638  7.31723     174.708     0.729493    354.708     
1 1 1 21 5  46 o 14.8024 4.94907 1.65011      2.95975  -0.816718    3.07873  11.5837     279.696     1.49346     99.6962     
1 1 1 21 5  47 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 6  0  o 29.7286 7.87346 6.78881      3.36203  6.78881      3.36203  42.4573     270         25.6595     270         
1 1 1 21 6  1  o 51.2168 4.77165 14.5386      3.72175  16.0122      3.60346  68.3104     242.242     26.2332     242.242     
1 1 1 21 6  2  o 25.3091 6.45539 4.12564      3.2887   2.74537      3.18731  12.1866     192.099     26.6403     12.0995     
1 1 1 21 6  3  o 29.1816 6.26918 6.64223      3.23293  3.6685       3.02638  28.1684     167.032     1.67147     347.032     
1 1 1 21 6  4  o 33.3223 6.03712 5.62428      3.12227  8.03733      3.15582  21.6104     177.677     27.2327     357.677     
1 1 1 21 6  5  o 38.4401 5.41273 8.1653       2.99899  9.60754      3.18613  33.9454     98.4404     14.1936     278.44      
1 1 1 21 6  6  o 36.2787 5.479   8.96202      2.96547  6.97128      2.97664  44.1711     118.782     13.6399     118.782     
1 1 1 21 6  7  o 55.1946 3.85602 15.9589      3.22601  18.8196      3.22124  41.1139     210.791     39.2993     30.7914     
1 1 1 21 6  8  o 35.5318 5.44128 5.95671      2.89616  9.44796      2.91655  46.0412     337.725     20.311      337.725     
1 1 1 21 6  9  o 26.4477 6.07692 4.89297      2.95264  3.43554      2.74488  22.752      239.971     6.39324     59.9706     
1 1 1 21 6  10 f 28.9174 6.19204 5.18424      3.00618  5.10417      2.98136  34.2888     221.517     0           0           
1 1 1 21 6  11 o 25.7618 6.30846 4.36107      2.75038  3.10334      3.47703  10.2865     13.0212     32.1852     193.021     
1 1 1 21 6  12 o 29.6065 5.75845 7.73537      2.84566  2.9495       2.93514  19.7563     186.58      22.0471     6.57987     
1 1 1 21 6  13 o 69.7966 3.24344 31.1992      3.47897  24.0082      3.41294  66.4765     162.889     21.149      342.889     
1 1 1 21 6  14 o 28.6055 5.87746 4.45503      2.70033  5.73112      2.80646  22.3216     18.941      13.9826     198.941     
1 1 1 21 6  15 o 18.5007 5.45271 0.867613     2.60047  0.816928     2.55635  12.1958     277.267     4.4938      97.2667     
1 1 1 21 6  16 o 34.4128 5.47582 5.49059      2.86921  9.28267      2.85739  41.4149     125.518     12.1483     125.518     
1 1 1 21 6  17 o 18.3392 5.2715  2.77798      2.59714  -2.17999     2.58482  11.2744     225.683     2.95104     225.683     
1 1 1 21 6  18 o 37.2722 5.17881 8.48393      2.82585  8.53653      2.90661  43.1441     255.232     7.50196     255.232     
1 1 1 21 6  19 o 18.709  5.50785 1.29425      2.59501  0.608168     2.67412  7.72837     237.856     21.1344     57.856      
1 1 1 21 6  20 o 49.5245 4.22701 15.176       3.17244  13.7811      3.13859  61.9371     148.267     16.3387     148.267     
1 1 1 21 6  21 o 30.2957 5.73165 4.13896      2.77966  7.71578      2.83853  34.219      228.47      5.56234     228.47      
1 1 1 21 6  22 o 43.4981 4.67112 12.4542      3.0352   10.6091      3.01008  62.7245     215.84      33.0096     215.84      
1 1 1 21 6  23 o 21.0138 5.73081 1.95394      2.65337  2.65236      2.61116  21.4351     301.652     8.64263     301.652     
1 1 1 21 6  24 o 30.6703 6.06796 6.02637      2.80868  6.64574      3.14828  32.8949     128.98      3.12567     128.98      
1 1 1 21 6  25 o 23.3084 6.2446  2.80586      2.64438  3.84174      3.50905  12.0166     276.608     22.8829     96.6084     
1 1 1 21 6  26 o 32.4475 5.87229 8.56886      3.12171  5.68536      2.82453  36.5019     131.992     6.57568     131.992     
1 1 1 21 6  27 o 19.659  5.4543  3.26071      2.53707  0.11374      2.54909  11.805      72.6024     13.6698     252.602     
1 1 1 21 6  28 o 22.9614 5.83417 3.27188      2.60821  3.54643      2.64705  22.0257     128.567     0.843912    128.567     
1 1 1 21 6  29 o 20.3327 5.77814 1.64433      2.76065  2.77001      2.80133  19.1895     61.1865     8.0679      61.1865     
1 1 1 21 6  30 o 45.1501 4.8547  13.5842      3.28719  12.9181      3.25003  50.6908     28.3778     5.1906      28.3778     
1 1 1 21 6  31 o 16.3884 5.25838 -2.71874     2.92513  1.45787      3.03191  12.7172     257.268     3.37422     257.268     
1 1 1 21 6  32 o 28.819  6.75642 7.25704      3.97993  6.432        3.06322  29.4331     338.461     0.201044    338.461     
1 1 1 21 6  33 o 18.7175 5.57112 -1.72732     2.97306  3.89524      3.01327  18.1245     356.022     1.99952     356.022     
1 1 1 21 6  34 f 18.3598 5.56987 -1.58398     3.00628  3.55548      3.05643  7.60942     173.643     0           0           
1 1 1 21 6  35 o 21.3761 5.72073 4.96787      2.73119  1.41861      2.76485  17.8449     13.3527     5.6811      193.353     
1 1 1 21 6  36 o 21.7828 5.93182 3.75394      2.7844   3.72931      2.8323   25.5167     158.565     12.5128     158.565     
1 1 1 21 6  37 o 16.6753 5.17742 -0.648501    2.67207  2.38089      2.63165  13.5378     91.4483     8.46777     91.4483     
1 1 1 21 6  38 o 18.9574 5.48172 0.886793     2.70035  3.88377      2.62461  19.75       301.772     4.439       301.772     
1 1 1 21 6  39 o 17.7443 5.34983 3.34716      2.6903   0.345187     2.64059  8.21177     270.862     5.63929     270.862     
1 1 1 21 6  40 o 16.1877 5.14331 1.06502      2.70266  1.0431       2.64715  13.8832     275.667     0.390069    95.6666     
1 1 1 21 6  41 o 18.0999 5.41484 0.812657     2.68989  3.79862      2.70777  18.5478     30.6892     8.94974     30.6892     
1 1 1 21 6  42 o 16.0791 5.11259 0.536548     2.67409  1.82054      2.65601  11.6611     82.7231     3.86044     82.7231     
1 1 1 21 6  43 o 17.5563 5.4001  1.34503      2.74687  2.97927      2.75958  12.9433     236.267     0.970872    56.2666     
1 1 1 21 6  44 o 21.5847 5.95577 3.31625      2.77609  6.16771      3.04345  19.0002     347.479     1.54553     167.479     
1 1 1 21 6  45 f 16.9837 5.25149 0.457455     2.71734  4.03938      2.73003  10.8893     58.104      0           0           
1 1 1 21 6  46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 7  0  o 86.5867 3.15234 41.6493      4.17757  41.6493      4.17757  86.5667     90          20.6297     270         
1 1 1 21 7  1  o 30.4214 6.02292 8.16208      3.1544   3.08339      3.07187  31.1176     67.3722     1.31358     67.3722     
1 1 1 21 7  2  o 35.5396 5.81083 4.27241      3.11004  11.5648      3.4007   37.6624     327.986     1.45731     327.986     
1 1 1 21 7  3  o 86.8424 3.23987 43.6322      4.13999  40.9325      4.47178  102.514     101.022     12.6133     101.022     
1 1 1 21 7  4  o 26.304  6.26991 4.56207      3.03858  3.49338      3.00264  19.7687     279.939     12.5891     99.9386     
1 1 1 21 7  5  o 20.6846 5.97847 1.41151      2.73615  1.2636       3.30813  2.68347     237.976     35.2922     57.9762     
1 1 1 21 7  6  o 44.2233 5.57087 8.43015      3.30164  15.6786      3.99147  36.0621     84.842      23.4859     264.842     
1 1 1 21 7  7  o 45.4864 5.44456 12.4018      3.37379  12.4512      3.95715  39.1761     35.8503     20.0812     215.85      
1 1 1 21 7  8  o 33.7303 6.11188 9.613        3.22358  4.52743      3.4466   35.5883     343.543     1.89426     343.543     
1 1 1 21 7  9  o 53.6713 4.32836 16.0968      3.5467   17.3229      3.47057  73.9847     96.2648     32.2944     96.2648     
1 1 1 21 7  10 o 39.6124 5.4707  9.10651      3.18757  9.9947       3.24699  38.933      181.977     6.42283     1.97673     
1 1 1 21 7  11 o 15.3125 5.03924 -2.73743     2.86767  -1.56571     2.91531  2.15196     69.5546     31.7661     69.5546     
1 1 1 21 7  12 o 40.9799 5.40284 8.18477      3.19549  12.4521      3.34814  42.1138     210.393     3.13748     30.3935     
1 1 1 21 7  13 o 29.1667 6.27586 5.51137      3.07867  5.17277      3.06365  22.3316     225.865     15.141      45.8652     
1 1 1 21 7  14 o 19.2128 5.71259 1.83025      2.93998  -0.545713    2.91747  10.2218     3.503       14.3062     183.503     
1 1 1 21 7  15 o 46.2092 4.74171 15.167       3.06406  10.4158      3.31354  39.2966     31.0924     21.545      211.092     
1 1 1 21 7  16 o 27.8427 5.77658 6.19744      2.71336  3.44271      2.70881  19.3492     292.498     18.8494     112.498     
1 1 1 21 7  17 f 22.6614 5.72879 -0.128465    2.62111  5.13089      2.96365  32.8461     283.73      0           0           
1 1 1 21 7  18 o 29.3111 5.80479 5.51999      2.73698  5.4056       2.71057  24.6874     11.3594     11.7854     191.359     
1 1 1 21 7  19 o 16.4723 5.12753 0.313373     2.53704  -0.71911     2.53314  10.4165     307.193     9.11686     127.193     
1 1 1 21 7  20 o 25.5743 5.51168 0.421435     2.8332   6.91408      2.73613  29.2755     253.992     7.59876     253.992     
1 1 1 21 7  21 o 25.0044 6.18285 4.12997      2.71071  3.64696      3.19897  29.2372     181.964     11.1951     181.964     
1 1 1 21 7  22 o 33.6649 5.6291  8.73919      2.89106  6.03101      2.90161  27.4077     5.29204     16.4354     185.292     
1 1 1 21 7  23 o 21.9944 5.42231 -0.703035    2.66792  5.21956      2.62604  23.3103     307.188     9.79551     307.188     
1 1 1 21 7  24 o 57.6535 4.21047 16.1514      3.73298  24.0907      3.35209  57.7041     205.274     9.60767     25.2741     
1 1 1 21 7  25 o 22.4943 5.92865 4.81684      3.11802  1.11838      2.58131  15.6003     355.895     12.8363     175.895     
1 1 1 21 7  26 o 15.4674 4.92652 -1.07539     2.53513  -0.0224308   2.43565  8.12506     88.4644     1.07584     268.464     
1 1 1 21 7  27 o 18.2546 5.40252 1.19872      2.57842  1.19957      2.51533  13.4738     110.05      4.29862     290.05      
1 1 1 21 7  28 o 27.0992 5.99725 4.30519      2.896    5.98792      2.75218  30.8901     310.447     9.17206     310.447     
1 1 1 21 7  29 o 20.6658 6.96723 3.64394      7.93707  -1.01739     2.98459  18.3498     320.835     7.26245     320.835     
1 1 1 21 7  30 o 25.9532 6.60817 4.42801      3.43401  5.91718      3.3705   26.8648     279.039     2.78012     279.039     
1 1 1 21 7  31 o 16.0876 5.17553 0.469212     2.8962   -0.912177    2.73666  8.95541     9.88347     4.31542     9.88347     
1 1 1 21 7  32 o 40.4722 5.18122 10.7693      3.23259  11.7964      2.96495  39.5529     299.277     6.8811      119.277     
1 1 1 21 7  33 o 28.4339 6.59291 7.00426      3.4223   6.41711      3.24096  30.345      134.357     3.40323     134.357     
1 1 1 21 7  34 f 16.9456 5.38555 0.100907     2.76437  1.11202      3.09526  5.46433     145.3       0           0           
1 1 1 21 7  35 o 27.7398 5.37805 9.59256      2.79228  2.07876      2.81194  26.3348     230.557     3.94678     50.5569     
1 1 1 21 7  36 o 16.5461 5.14647 2.01641      2.59456  -0.230464    2.58212  16.0676     153.011     4.84531     153.011     
1 1 1 21 7  37 o 15.4158 4.9661  0.194493     2.62572  0.368097     2.57214  10.7394     234.407     7.35852     54.4069     
1 1 1 21 7  38 o 20.7356 5.65991 5.18237      2.75361  1.63484      2.6419   21.8928     343.105     4.59072     343.105     
1 1 1 21 7  39 o 20.5714 5.6276  5.25156      2.69111  1.43623      2.77417  17.9815     16.1099     3.78756     196.11      
1 1 1 21 7  40 o 15.1461 4.91258 0.0509844    2.58447  0.796566     2.62158  12.7716     65.6029     1.43013     65.6029     
1 1 1 21 7  41 o 15.4922 5.00202 0.925572     2.67286  0.522676     2.63868  9.74126     190.128     4.5021      190.128     
1 1 1 21 7  42 o 18.4786 5.40265 4.49173      2.70009  0.505447     2.6257   15.5255     328.091     6.13323     328.091     
1 1 1 21 7  43 o 15.4979 5.00811 -0.134077    2.60056  1.74194      2.76201  7.11424     40.2594     0.975159    40.2594     
1 1 1 21 7  44 o 12.6723 4.35223 -1.94863     2.80382  -1.30646     2.55932  5.76162     334.081     2.22482     154.081     
1 1 1 21 7  45 o 11.6159 4.04162 -3.00391     2.49355  -1.79358     2.57341  5.88328     63.4607     5.65928     243.461     
1 1 1 21 7  46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 8  0  o 17.7219 6.97978 2.56756      2.8267   2.56756      2.8267   10.0505     270         14.3206     90          
1 1 1 21 8  1  o 39.2596 5.3527  8.85876      3.20825  9.72983      3.02182  45.7904     222.828     9.27058     222.828     
1 1 1 21 8  2  o 23.4797 6.06789 4.45907      3.04125  0.891475     2.95877  7.13786     282.271     32.917      102.271     
1 1 1 21 8  3  o 53.9257 4.81637 15.8015      3.49429  18.3809      4.32359  51.8607     214.892     13.7713     34.8921     
1 1 1 21 8  4  o 21.9875 6.35756 -1.87699     3.19992  4.16162      4.02825  16.8887     52.8147     5.12205     52.8147     
1 1 1 21 8  5  o 55.2927 4.84103 20.8326      3.87823  15.2774      4.04628  56.1334     277.503     8.18738     97.5034     
1 1 1 21 8  6  o 25.8958 6.18788 -2.00754     2.9736   8.38612      4.06093  25.1164     341.522     14.3424     341.522     
1 1 1 21 8  7  o 19.0052 5.8545  1.15708      2.96073  -2.00741     3.71858  4.0301      55.8304     45.5738     55.8304     
1 1 1 21 8  8  o 25.4583 6.35547 2.84179      3.05389  4.57439      3.20866  22.799      345.663     2.8252      165.663     
1 1 1 21 8  9  o 75.6517 3.36    32.0932      3.88715  32.6474      3.90168  84.224      15.3453     2.01663     15.3453     
1 1 1 21 8  10 o 15.9508 5.17371 -2.73283     2.93122  -0.646183    2.90048  6.35363     74.8393     10.2191     254.839     
1 1 1 21 8  11 o 39.497  5.54016 9.96388      3.21387  9.20048      3.28538  43.1034     167.91      2.84824     167.91      
1 1 1 21 8  12 o 26.0081 6.31459 3.69177      3.1016   4.3814       3.02107  27.0278     9.46683     5.91024     9.46683     
1 1 1 21 8  13 o 51.183  4.58632 15.465       3.66407  15.4585      3.39522  70.5675     111.207     31.612      111.207     
1 1 1 21 8  14 o 39.694  5.50372 8.39095      3.24144  11.1221      3.23687  40.4276     33.2413     3.50555     213.241     
1 1 1 21 8  15 o 14.4173 4.8321  -2.84176     2.83797  -2.85161     2.90524  6.03918     18.3789     4.82641     198.379     
1 1 1 21 8  16 o 28.1913 6.41732 5.02555      3.19821  5.10289      3.13149  20.9545     60.3439     16.3293     240.344     
1 1 1 21 8  17 o 20.0336 5.82692 2.45493      2.9516   -0.077679    2.98151  5.93797     230.167     28.4666     50.1671     
1 1 1 21 8  18 o 20.7127 5.9398  3.22166      3.18184  -0.24086     2.93565  20.6163     263.491     3.04976     263.491     
1 1 1 21 8  19 o 59.9801 4.22393 27.5701      3.34952  15.6206      3.8326   76.4446     104.602     22.4276     104.602     
1 1 1 21 8  20 o 16.1642 5.06992 -0.814019    2.52468  0.232007     2.52334  5.75002     132.081     18.9222     312.081     
1 1 1 21 8  21 o 30.2269 5.50315 3.20547      2.78133  8.69641      2.75383  41.8317     185.61      25.9068     185.61      
1 1 1 21 8  22 f 21.3621 5.67084 1.19536      2.59428  3.69809      2.62753  31.8769     8.44237     0           0           
1 1 1 21 8  23 o 25.5666 5.31682 7.40273      2.6598   0.00746599   2.8327   24.811      143.419     1.00855     323.419     
1 1 1 21 8  24 o 39.156  5.1827  11.0045      2.96655  8.62405      3.03316  36.3196     256.752     10.3033     76.7516     
1 1 1 21 8  25 o 17.3404 5.27872 2.88192      3.02011  -3.97358     2.63217  7.36747     332.799     17.0659     152.799     
1 1 1 21 8  26 o 16.5006 5.15724 2.07702      2.95006  -3.23996     2.49821  5.12524     150.1       1.51084     150.1       
1 1 1 21 8  27 o 15.4909 5.0239  0.633988     2.98506  -2.58017     2.4718   7.1055      27.3991     0.896752    27.3991     
1 1 1 21 8  28 o 14.7294 4.91696 -0.800363    3.03628  -3.24172     2.81138  8.20694     99.2157     5.78714     279.216     
1 1 1 21 8  29 o 16.9391 5.44716 -0.690053    3.21624  0.263101     3.02582  13.5332     150.759     1.92811     150.759     
1 1 1 21 8  30 o 34.327  5.83197 8.36722      3.0464   8.70791      3.04286  46.697      30.5885     23.6319     30.5885     
1 1 1 21 8  31 o 17.0522 5.16029 2.62809      2.59894  -1.35193     2.52604  12.499      173.858     7.17653     353.858     
1 1 1 21 8  32 o 20.4682 5.85684 1.30551      3.24831  3.67536      2.74     7.33451     24.3209     26.5598     204.321     
1 1 1 21 8  33 o 19.3068 5.85576 1.02083      3.14374  2.91443      3.15992  16.364      87.6367     2.92091     267.637     
1 1 1 21 8  34 o 13.0994 4.45029 -1.52755     2.43382  -3.0621      2.84736  6.37961     41.8035     0.0988003   41.8033     
1 1 1 21 8  35 o 13.9116 4.63817 -0.774914    2.68091  -1.46969     2.47116  9.90613     234.939     2.46187     234.939     
1 1 1 21 8  36 o 34.1283 5.8656  9.28509      3.21394  9.29644      2.8976   44.639      243.436     19.3169     243.436     
1 1 1 21 8  37 o 14.5345 4.78277 -0.614576    2.59504  -0.120239    2.60328  12.4208     104.565     2.87681     104.565     
1 1 1 21 8  38 o 16.9252 5.1801  -1.03925     2.61791  3.36406      2.68087  14.8429     162.79      8.01093     162.79      
1 1 1 21 8  39 o 15.7984 4.9831  -1.27056     2.62092  2.42591      2.55672  7.30206     338.696     4.26214     338.696     
1 1 1 21 8  40 o 20.7334 5.82008 4.84         2.75711  2.91325      2.93649  21.9664     84.5301     14.6543     84.5301     
1 1 1 21 8  41 o 14.5417 4.78878 -0.817701    2.64141  0.735359     2.61794  8.42967     349.233     6.44751     169.233     
1 1 1 21 8  42 o 16.1927 5.21456 2.5802       3.0637   -0.331506    2.67992  9.95412     346.082     3.11885     166.082     
1 1 1 21 8  43 o 13.8326 4.61529 1.13684      2.61922  -2.59432     2.65329  7.07966     136.21      1.98663     316.21      
1 1 1 21 8  44 o 12.4905 4.28018 -0.603348    2.53242  -2.24137     2.59023  5.11687     159.252     0.282543    159.252     
1 1 1 21 8  45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 9  0  o 79.655  3.29423 35.4532      4.00878  35.4532      4.00878  106.843     90          36.7205     90          
1 1 1 21 9  1  o 66.058  3.72594 22.11        3.73589  27.8159      3.73655  87.3526     100.126     30.8087     100.126     
1 1 1 21 9  2  o 18.256  5.71608 -0.779989    3.40736  -0.0999385   2.96604  6.64908     181.735     19.0987     1.73502     
1 1 1 21 9  3  o 40.281  5.95088 8.79707      3.81489  11.3484      3.31749  49.0893     27.3471     14.2113     27.3471     
1 1 1 21 9  4  o 19.8344 5.95365 -1.21183     3.29103  1.98856      3.23592  10.9691     264.945     13.4399     84.9449     
1 1 1 21 9  5  o 30.5525 6.1576  9.55452      3.49145  1.69861      3.40537  30.7309     52.6001     0.0633954   52.5992     
1 1 1 21 9  6  o 20.8735 6.09529 0.692302     3.05777  1.98906      3.32119  15.9567     287.533     2.6969      107.533     
1 1 1 21 9  7  o 43.0667 5.4524  12.2699      3.32131  10.348       3.60852  19.3925     163.802     54.3738     343.802     
1 1 1 21 9  8  f 22.0404 6.09585 2.88483      3.04428  1.44206      3.00643  11.7211     21.0867     0           0           
1 1 1 21 9  9  o 26.0858 6.5262  2.07089      3.06697  5.85934      3.66012  22.5114     211.463     14.5064     211.463     
1 1 1 21 9  10 o 23.2902 6.38869 3.32599      3.05851  1.67322      3.61855  19.9505     123.66      2.71429     303.66      
1 1 1 21 9  11 o 30.6693 6.30513 7.69915      3.13108  4.1081       3.4511   22.5328     338.337     18.406      158.337     
1 1 1 21 9  12 o 30.3182 6.3291  4.88152      3.16762  6.8633       3.2099   20.2164     329.352     22.6092     149.352     
1 1 1 21 9  13 o 26.472  6.42333 4.28064      3.23116  4.29493      3.08876  16.7785     189.667     20.4881     9.66687     
1 1 1 21 9  14 f 32.6838 6.1248  5.11537      3.19367  8.65738      3.21196  25.9867     154.866     0           0           
1 1 1 21 9  15 o 19.5273 5.75974 -2.25455     3.00366  3.04367      3.20396  17.9792     216.513     5.76962     216.513     
1 1 1 21 9  16 o 44.3874 5.22864 12.9507      3.27642  11.3182      3.57853  59.6467     338.706     24.7098     338.706     
1 1 1 21 9  17 o 39.9796 5.54153 9.91015      3.31517  10.2454      3.26332  32.6983     135.228     20.4925     315.228     
1 1 1 21 9  18 o 20.0857 5.98838 2.64398      3.44935  -0.459492    2.98838  19.4866     184.181     4.78791     184.181     
1 1 1 21 9  19 o 37.6609 5.73476 10.9604      3.2868   7.51522      3.19194  46.4941     197.973     14.2914     197.973     
1 1 1 21 9  20 o 19.4503 5.76436 2.35995      2.97032  -0.294525    2.99675  2.49127     149.093     1.44421     149.093     
1 1 1 21 9  21 o 23.7624 6.39183 2.16119      3.17931  4.53407      3.38284  20.2162     183.186     5.43268     3.18621     
1 1 1 21 9  22 o 38.4585 5.87128 9.80284      3.48089  9.82652      3.26891  36.8679     4.68652     7.21042     184.687     
1 1 1 21 9  23 o 15.2771 4.9058  -1.32456     2.5361   -0.247459    2.50788  5.58426     108.76      0.162297    108.76      
1 1 1 21 9  24 o 18.0253 5.37899 1.13426      2.54865  0.847147     2.56922  10.3847     113.123     11.6002     293.123     
1 1 1 21 9  25 o 18.2577 5.41597 1.25042      2.56332  1.11199      2.57451  14.2747     146.557     0.601832    326.557     
1 1 1 21 9  26 o 22.7781 6.19002 2.79199      3.02003  3.81554      3.10562  17.6294     192.203     8.78069     12.2029     
1 1 1 21 9  27 o 23.6093 6.34457 5.64987      3.25957  1.17619      3.64454  23.9491     205.228     3.79841     205.228     
1 1 1 21 9  28 o 17.2408 5.3757  1.83489      3.00041  -0.908165    2.63442  13.7892     152.422     1.09837     332.422     
1 1 1 21 9  29 o 23.2911 6.09579 3.62641      2.95467  4.26849      2.86188  13.5465     134.147     19.9618     314.147     
1 1 1 21 9  30 o 19.0142 5.55629 3.87553      2.9213   -0.731073    2.73802  18.0226     97.1892     0.792251    97.1892     
1 1 1 21 9  31 o 16.6771 5.28266 0.112747     2.62565  0.778695     2.95971  14.6908     201.853     1.39995     201.853     
1 1 1 21 9  32 o 22.602  6.31414 3.37571      3.2512   4.50501      3.27185  25.439      153.964     15.2607     153.964     
1 1 1 21 9  33 o 16.3424 5.22107 -2.43696     2.91056  2.12491      2.95461  7.59029     149.811     3.72844     149.811     
1 1 1 21 9  34 o 18.3732 5.48103 0.84464      2.62495  2.99588      2.76385  18.8227     252.834     7.23539     252.834     
1 1 1 21 9  35 o 18.1327 5.32948 3.78963      2.66026  -0.416953    2.60846  19.8353     22.5861     8.08426     22.5861     
1 1 1 21 9  36 o 16.916  5.24779 1.48407      2.63411  1.2781       2.61161  16.1167     45.7939     2.33088     45.794      
1 1 1 21 9  37 o 29.1084 5.73588 9.72452      2.88479  4.71867      2.81228  32.6959     276.002     6.76638     276.002     
1 1 1 21 9  38 o 14.3957 4.73701 0.690691     2.57745  -1.39793     2.5758   11.0983     30.0778     2.82848     30.0778     
1 1 1 21 9  39 o 15.835  5.03456 2.29715      2.63206  -0.77711     2.67384  11.0023     240.499     6.67398     60.499      
1 1 1 21 9  40 o 15.8564 5.07372 0.279633     2.70577  1.67005      2.64945  4.79586     288.493     2.39223     288.493     
1 1 1 21 9  41 o 13.7659 4.61552 -0.865262    2.58768  -0.568219    2.66083  5.43018     33.0847     1.60843     213.085     
1 1 1 21 9  42 f 25.5237 5.58221 9.53446      2.88376  2.35995      2.89161  17.4049     181.956     0           0           
1 1 1 21 9  43 o 16.0274 5.07581 3.26057      2.67797  -0.381073    2.7155   12.1226     324.724     3.48242     324.724     
1 1 1 21 9  44 o 22.8566 6.02115 4.95183      2.88698  6.83358      2.8819   24.0508     225.127     4.88459     225.127     
1 1 1 21 9  45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 10 0  o 46.981  5.10237 13.275       3.43283  13.275       3.43283  84.3737     270         65.092      270         
1 1 1 21 10 1  o 51.7466 4.44711 15.6694      3.41565  15.7121      3.52513  49.1306     41.4637     13.6413     221.464     
1 1 1 21 10 2  o 18.0656 5.60456 0.13055      2.99715  -0.412699    2.99136  10.785      253.307     5.47461     73.3071     
1 1 1 21 10 3  o 40.4188 5.76656 9.17233      3.61823  11.0764      3.29774  35.2889     65.3186     15.2853     245.319     
1 1 1 21 10 4  o 30.2363 6.93264 7.18482      3.93804  4.49977      3.50622  37.0185     178.302     20.7158     178.302     
1 1 1 21 10 5  o 26.2008 6.51639 7.28482      3.92778  -0.0298781   3.30772  28.1159     349.645     14.4447     349.645     
1 1 1 21 10 6  o 31.8307 6.3635  9.87105      3.67566  3.02708      3.3718   30.4574     225.697     3.95856     45.6966     
1 1 1 21 10 7  o 35.0095 6.1614  7.55361      3.46461  8.0161       3.16108  40.1118     111.601     8.70288     111.601     
1 1 1 21 10 8  o 54.0408 4.1154  17.6454      3.25463  16.3295      3.46535  55.9188     118.594     5.09343     298.594     
1 1 1 21 10 9  o 39.4782 5.13706 11.037       3.00921  8.02887      2.9825   52.0589     103.296     22.17       103.296     
1 1 1 21 10 10 o 44.6204 5.0223  11.0208      3.0716   13.0702      3.60441  36.0178     168.532     23.9867     348.532     
1 1 1 21 10 11 f 54.7903 3.99757 18.2895      3.28601  16.6363      3.35048  74.6932     106.182     0           0           
1 1 1 21 10 12 o 44.0856 4.79625 10.4885      3.04972  12.9687      3.24382  34.9841     108.75      25.0542     288.75      
1 1 1 21 10 13 o 18.0188 5.39874 1.80274      2.65907  -1.21856     2.74349  11.4984     305.474     10.4683     125.474     
1 1 1 21 10 14 o 16.9257 5.26423 -2.30215     2.58722  1.34943      2.89861  13.3959     117.486     3.9827      117.486     
1 1 1 21 10 15 o 23.2344 6.03942 2.77801      2.70241  3.45277      2.97306  16.8779     210.049     13.0655     30.0492     
1 1 1 21 10 16 o 33.2155 5.67716 7.03162      2.91199  7.19458      2.83142  26.5988     330.203     16.8913     150.203     
1 1 1 21 10 17 o 19.2152 5.58787 0.961392     2.72486  1.71083      2.61311  16.4228     137.519     1.26238     317.519     
1 1 1 21 10 18 o 29.0911 6.21949 5.82109      3.28132  5.53058      2.77463  27.3654     263.994     4.46504     83.9937     
1 1 1 21 10 19 o 18.9525 5.73456 0.17983      3.04554  1.47651      2.95188  3.64118     118.194     29.8122     298.194     
1 1 1 21 10 20 f 20.0594 5.83226 3.02083      2.98083  -0.281305    3.06046  26.3989     165.642     0           0           
1 1 1 21 10 21 o 18.3982 5.63709 0.284291     2.97129  0.967157     2.93367  12.8967     239.611     3.85054     239.611     
1 1 1 21 10 22 o 39.6392 5.66708 10.5374      3.34844  10.1121      3.33186  44.0295     204.926     5.30503     204.926     
1 1 1 21 10 23 o 16.9196 5.35343 -1.75622     2.97016  0.875826     2.88665  6.66886     62.7306     1.80814     62.7306     
1 1 1 21 10 24 o 39.0107 6.4997  11.5906      3.8953   10.0519      3.79286  34.6839     262         12.2963     82.0003     
1 1 1 21 10 25 o 19.6548 5.93774 -0.487956    2.93254  3.22062      3.5391   15.243      109.898     7.10606     109.898     
1 1 1 21 10 26 o 21.7714 5.94017 4.62167      2.98976  0.994899     2.94483  18.9971     269.66      3.00754     89.6596     
1 1 1 21 10 27 o 32.3035 5.8971  6.93404      3.02196  8.16591      2.9098   30.7425     248.644     5.13015     68.644      
1 1 1 21 10 28 o 15.0712 4.88187 -4.0738      2.71035  1.26273      2.7269   9.96987     191.893     5.79455     11.8933     
1 1 1 21 10 29 o 21.3547 6.06295 3.20946      3.00804  3.00593      3.08014  24.6414     290.86      12.429      290.86      
1 1 1 21 10 30 o 21.1759 5.87224 4.25831      2.90799  1.82666      2.79809  20.1101     134.087     0.126033    314.086     
1 1 1 21 10 31 o 15.4235 5.0214  -0.300705    2.99057  -0.417512    2.49861  11.7481     125.926     0.491664    125.927     
1 1 1 21 10 32 o 16.7261 5.30774 2.82269      3.10619  -3.19881     2.95852  12.7745     320.781     3.18555     140.781     
1 1 1 21 10 33 o 15.9887 5.11187 -2.45285     2.66863  2.26321      2.92703  12.969      234.876     1.60837     54.8758     
1 1 1 21 10 34 o 14.1226 4.68371 -1.53928     2.63711  -0.259474    2.53827  12.0103     148.175     2.02827     148.175     
1 1 1 21 10 35 o 14.8708 4.83244 -0.863365    2.51734  0.716742     2.57752  5.17417     0.970569    18.1169     180.971     
1 1 1 21 10 36 o 22.9317 5.48607 0.978699     2.70133  7.25746      2.72229  28.855      209.19      20.2047     209.19      
1 1 1 21 10 37 o 19.2936 5.61703 2.86622      2.71815  3.06841      2.66495  19.332      227.053     3.90104     227.053     
1 1 1 21 10 38 o 15.797  4.90354 -3.60072     2.60765  3.55598      2.62477  13.3653     109.793     5.82756     109.793     
1 1 1 21 10 39 o 13.4229 4.51867 -1.00362     2.58346  -0.954356    2.55024  8.37167     133.559     1.1597      313.559     
1 1 1 21 10 40 o 14.8183 4.85963 -0.244936    2.6591   0.632053     2.64661  8.24897     318.584     5.37022     138.584     
1 1 1 21 10 41 o 15.843  5.0586  -0.102655    2.6516   2.16971      2.67845  4.29248     178.325     1.20206     178.325     
1 1 1 21 10 42 o 13.8663 4.6249  0.37353      2.58732  -0.626181    2.56482  3.90081     95.7562     0.776946    95.7562     
1 1 1 21 10 43 o 16.3573 5.1817  1.29344      2.69646  2.83711      2.72713  14.1754     276.967     1.1885      276.967     
1 1 1 21 10 44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 11 0  o 110.919 3.05402 68.3634      5.19836  68.3634      5.19836  148.72      90          53.2388     90          
1 1 1 21 11 1  o 24.8462 6.43966 4.68043      3.41933  2.21817      3.11751  21.5915     69.9151     4.35165     249.915     
1 1 1 21 11 2  o 39.6012 5.84716 7.0172       3.64627  12.8284      3.27742  39.2906     99.1085     4.86109     279.109     
1 1 1 21 11 3  o 59.8006 4.22    21.62        4.01767  20.0925      3.65081  74.8254     69.2932     20.6295     69.2932     
1 1 1 21 11 4  o 55.1742 4.61601 22.8791      3.90641  13.6532      3.61225  69.7565     131.554     21.0363     131.554     
1 1 1 21 11 5  o 37.7214 6.24366 11.5474      3.63274  6.80551      3.60254  37.846      25.4793     3.31569     205.479     
1 1 1 21 11 6  o 67.6682 4.33355 31.7017      3.88775  22.1543      4.67285  76.3388     121.043     5.7294      121.043     
1 1 1 21 11 7  o 34.0864 5.79751 3.55614      3.03499  11.5681      3.40863  40.8037     140.711     11.8722     140.711     
1 1 1 21 11 8  o 31.4358 5.76771 9.24924      2.97724  3.23024      3.11177  24.0052     21.3815     17.6351     201.382     
1 1 1 21 11 9  o 28.8213 6.31655 4.86103      3.23182  5.77941      2.98993  22.8287     82.7694     13.6303     262.769     
1 1 1 21 11 10 o 18.1834 5.53202 0.950237     2.8902   -0.137444    2.72242  15.382      304.237     1.34981     304.236     
1 1 1 21 11 11 o 30.4652 5.99107 7.28077      3.02561  4.73818      2.87572  28.7209     251.24      5.71808     71.2405     
1 1 1 21 11 12 o 42.4141 4.79748 10.9367      3.03135  10.9232      3.0243   45.5417     129.798     0.411641    129.797     
1 1 1 21 11 13 o 22.1694 5.76615 0.817211     2.74871  4.22423      2.72923  20.1391     34.474      13.6718     34.474      
1 1 1 21 11 14 o 33.7754 6.04589 7.01029      3.46634  7.96978      2.87207  36.3177     19.7571     2.5883      19.7571     
1 1 1 21 11 15 o 19.7253 5.79444 2.52231      3.17334  0.160051     2.67559  5.35823     178.171     28.4142     358.171     
1 1 1 21 11 16 o 32.521  5.72507 8.10065      2.93193  5.80065      2.82004  35.1901     311.907     3.6518      311.907     
1 1 1 21 11 17 o 31.5947 5.88107 6.1324       2.87004  7.16363      2.93929  30.5641     202.897     3.62585     22.8967     
1 1 1 21 11 18 o 18.7663 5.51674 0.274208     2.65569  2.04517      2.67997  11.9412     321.961     5.01803     321.961     
1 1 1 21 11 19 f 16.9605 5.31276 0.496631     2.58385  -0.716911    2.96929  8.64987     50.7602     0           0           
1 1 1 21 11 20 o 27.0328 5.87441 3.44604      2.79098  6.28562      2.75315  22.4934     318.408     9.13417     138.408     
1 1 1 21 11 21 o 23.3035 5.59432 0.653005     2.71882  5.57512      2.65851  24.6517     119.487     8.43414     119.487     
1 1 1 21 11 22 o 28.2338 6.30855 4.06339      3.22985  7.06848      3.117    28.6998     133.194     1.85021     133.194     
1 1 1 21 11 23 o 30.5257 6.80079 4.93635      3.72355  8.95365      3.69478  27.1961     269.372     7.3337      89.3718     
1 1 1 21 11 24 o 30.2876 6.44244 1.41757      4.14266  11.3395      3.79706  40.6486     158.228     26.4627     158.228     
1 1 1 21 11 25 o 18.6351 5.69501 2.29973      3.0427   -0.284171    3.07493  13.9882     102.438     6.47871     102.438     
1 1 1 21 11 26 o 21.7003 6.31222 3.60425      3.57245  2.35008      3.21552  22.8774     206.412     12.0206     206.412     
1 1 1 21 11 27 o 22.8563 6.57871 5.81483      3.98484  1.57597      3.44842  21.299      77.7176     1.32483     257.718     
1 1 1 21 11 28 o 21.5236 6.23558 3.68822      3.07245  2.41883      3.64236  15.9205     158.956     10.4944     338.956     
1 1 1 21 11 29 o 18.2368 5.53931 2.00528      2.82681  0.948941     2.78991  16.8283     137.874     8.49695     137.874     
1 1 1 21 11 30 o 13.3379 4.4854  -1.84242     2.487    -1.65558     2.54391  6.99785     41.4759     0.149841    221.476     
1 1 1 21 11 31 o 14.8272 4.91024 -1.63408     3.00271  -0.346637    2.66431  9.69971     312.412     4.67714     132.412     
1 1 1 21 11 32 o 26.6429 6.73084 6.91307      3.48042  6.12617      3.51972  33.5417     279.18      17.1654     279.18      
1 1 1 21 11 33 o 16.0134 5.17237 0.81096      2.70629  -0.267115    3.02755  13.0319     348.74      3.08262     168.74      
1 1 1 21 11 34 o 20.0591 5.73133 3.41829      2.75715  2.90182      2.72311  20.8308     273.758     4.397       273.758     
1 1 1 21 11 35 o 24.5793 5.81979 2.56457      2.75803  7.91685      2.94377  28.9308     65.6292     22.6804     65.6292     
1 1 1 21 11 36 o 14.9095 4.86821 0.511137     2.6643   -0.335699    2.5653   3.80901     11.7477     2.04181     11.7477     
1 1 1 21 11 37 o 22.0867 5.4752  7.14634      2.72835  0.689139     2.74034  23.2652     234.147     4.66464     234.147     
1 1 1 21 11 38 o 24.3301 6.06106 6.41885      2.84428  4.95084      2.86077  26.3968     6.8108      6.82851     6.8108      
1 1 1 21 11 39 o 15.8299 5.06543 1.25809      2.6522   0.801486     2.64755  10.5569     149.91      0.083497    329.91      
1 1 1 21 11 40 o 15.1226 4.92196 0.966768     2.63898  0.12847      2.65583  8.01607     147.362     1.79309     327.362     
1 1 1 21 11 41 o 15.9377 5.03052 3.53104      2.71323  -1.55439     2.6714   10.0473     127.144     3.01149     127.144     
1 1 1 21 11 42 o 20.6856 5.86633 4.62332      2.83203  5.01386      2.86033  22.2688     243.677     9.17897     243.677     
1 1 1 21 11 43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 12 0  o 43.8539 6.27525 12.2873      3.75311  12.2873      3.75311  61.9248     270         27.8017     270         
1 1 1 21 12 1  o 23.1779 6.43604 3.12745      3.40568  2.13771      3.3247   16.4844     51.3415     12.5205     231.341     
1 1 1 21 12 2  o 21.9041 5.98016 4.27627      3.02473  -1.21082     3.37352  20.4878     222.918     11.6078     222.918     
1 1 1 21 12 3  o 25.7367 6.23271 0.747853     3.14569  6.68683      3.40274  9.29501     78.0523     34.5152     258.052     
1 1 1 21 12 4  o 20.3833 5.70537 -1.60759     3.11153  3.55488      2.81541  19.2568     328.314     2.8613      328.314     
1 1 1 21 12 5  o 26.6968 6.3555  3.5217       3.21474  5.33133      3.0639   31.7644     306.728     12.8014     306.728     
1 1 1 21 12 6  o 29.3653 6.36118 5.84048      3.18029  5.37834      3.11669  26.3189     47.7361     7.63051     227.736     
1 1 1 21 12 7  o 33.7647 5.96601 7.76489      2.99662  6.93773      3.20241  20.7738     147.151     29.88       327.151     
1 1 1 21 12 8  o 15.794  5.02798 0.776962     2.72137  -3.4887      2.68015  11.4225     358.751     2.36672     358.751     
1 1 1 21 12 9  o 26.3688 6.10223 4.50733      2.89368  4.36993      2.81568  28.0921     151.318     3.88976     151.318     
1 1 1 21 12 10 o 19.3604 5.79519 1.81668      3.22572  0.172592     2.75199  2.82014     156.594     33.1174     336.594     
1 1 1 21 12 11 f 18.2066 5.59149 1.6159       3.19609  -0.990074    2.68026  21.571      51.8419     0           0           
1 1 1 21 12 12 o 18.6966 5.57462 0.369243     2.82852  1.45927      2.69654  15.1678     91.0956     5.97698     91.0956     
1 1 1 21 12 13 o 31.2731 6.09671 7.50737      3.20841  5.6031       2.87409  24.0708     150.864     16.5836     330.864     
1 1 1 21 12 14 o 19.5991 5.72107 -0.0873501   3.17546  2.39853      2.65362  17.146      160.113     2.65501     160.113     
1 1 1 21 12 15 o 19.4221 5.70233 1.48121      2.83034  1.33572      2.77855  15.6368     94.1492     1.76599     274.149     
1 1 1 21 12 16 o 14.7331 4.83259 -1.23242     2.65776  -1.69259     2.58111  6.25534     150.491     1.53764     330.491     
1 1 1 21 12 17 o 45.968  4.535   15.2654      3.12171  10.8292      3.04394  53.5851     98.546      10.2751     98.546      
1 1 1 21 12 18 o 32.3811 5.75887 7.54069      2.93728  6.48093      2.80578  19.6557     310.584     27.9189     130.584     
1 1 1 21 12 19 o 34.315  5.56421 10.4401      2.93631  5.34845      2.96398  41.5566     243.731     13.9554     243.731     
1 1 1 21 12 20 o 65.507  3.81583 29.4893      3.84839  21.9143      3.72171  73.5807     107.729     7.14554     107.729     
1 1 1 21 12 21 o 39.4107 5.72263 10.8891      3.32313  10.074       3.38927  44.0627     53.0331     6.54984     53.0331     
1 1 1 21 12 22 o 35.658  6.0613  9.11315      3.28497  8.80913      3.2896   41.0788     216.46      9.48334     216.46      
1 1 1 21 12 23 o 20.4079 5.80165 1.73165      2.67086  3.00826      2.92464  19.7579     299.736     6.84048     299.736     
1 1 1 21 12 24 o 14.8608 4.83795 -0.499647    2.55814  -1.0916      2.5554   8.42399     45.5174     1.10164     45.5174     
1 1 1 21 12 25 o 31.9867 5.61942 11.6555      3.10821  3.46074      3.06147  40.2573     164.046     16.2194     164.046     
1 1 1 21 12 26 o 26.3442 6.48246 7.17273      3.58032  4.10403      2.9078   26.4806     246.507     0.730822    246.507     
1 1 1 21 12 27 o 18.3306 5.74203 -0.769684    3.366    2.42724      3.24311  15.9529     36.8256     1.28151     216.826     
1 1 1 21 12 28 o 16.8464 5.43715 -1.6736      3.2814   1.32472      3.13124  9.52859     88.1354     4.99634     88.1354     
1 1 1 21 12 29 o 18.067  5.72214 0.529525     3.18855  1.5834       3.37731  15.2837     14.3174     6.36401     14.3174     
1 1 1 21 12 30 o 17.5829 5.62242 1.76451      3.42686  -0.0637246   3.08386  15.6426     167.922     5.11233     167.922     
1 1 1 21 12 31 o 21.6799 6.02558 6.18183      3.26336  0.751436     3.13623  24.3876     212.932     9.50957     212.932     
1 1 1 21 12 32 o 16.4719 5.32128 -0.0558047   2.8584   1.15539      3.15275  12.4666     37.2083     7.70769     37.2083     
1 1 1 21 12 33 o 18.8707 5.38941 -0.60042     2.71455  4.64976      2.69517  20.6821     72.895      11.6621     72.895      
1 1 1 21 12 34 o 16.3525 5.18774 1.03144      2.71656  1.04689      2.70313  14.066      167.322     0.018862    347.321     
1 1 1 21 12 35 o 17.1706 5.27806 3.10571      2.72411  -0.0244469   2.65045  16.4533     60.5652     5.77659     60.5652     
1 1 1 21 12 36 o 14.5178 4.79307 -0.106177    2.66433  -0.140463    2.62246  11.3592     140.874     1.19936     140.874     
1 1 1 21 12 37 o 18.9854 5.60521 3.69555      2.74065  2.27141      2.78045  17.2683     63.1228     0.942754    63.1228     
1 1 1 21 12 38 f 14.6272 4.87445 -0.0520657   2.66463  -0.485799    3.04192  1.29579     100.175     0           0           
1 1 1 21 12 39 o 16.2705 5.08919 -1.52439     2.73375  3.35437      2.68518  6.50978     202.466     1.71866     202.466     
1 1 1 21 12 40 o 15.0392 4.95054 -1.00304     3.06747  1.63563      2.68664  8.48694     224.114     1.25967     224.114     
1 1 1 21 12 41 o 16.7644 5.10093 4.93634      2.7238   -1.8635      2.68185  11.5343     205.411     6.36431     205.411     
1 1 1 21 12 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 13 0  o 44.0649 6.08658 12.383       3.6791   12.383       3.6791   59.0135     90          22.0614     90          
1 1 1 21 13 1  o 54.0067 5.20368 17.5733      4.50051  18.3251      3.86363  62.3881     142.39      9.25852     142.39      
1 1 1 21 13 2  o 50.7705 5.14815 14.7499      4.32447  16.9244      3.24749  63.9082     112.702     19.7861     112.702     
1 1 1 21 13 3  o 56.7679 4.70888 14.0218      4.03251  25.3938      3.35932  65.5132     119.176     9.32652     119.176     
1 1 1 21 13 4  f 31.8909 6.31835 8.86977      3.62341  4.86444      2.92534  24.6033     153.776     0           0           
1 1 1 21 13 5  o 35.7071 5.69249 12.3581      3.34195  4.59226      3.03631  35.8738     95.6982     2.77457     275.698     
1 1 1 21 13 6  o 23.9918 6.38148 6.03353      3.77768  0.18893      3.05428  20.1183     241.754     6.74592     61.7541     
1 1 1 21 13 7  o 20.9035 5.99251 0.086803     3.16746  3.17559      3.06785  9.7703      65.8887     21.5925     245.889     
1 1 1 21 13 8  o 29.354  5.76564 1.90014      2.97952  9.20875      3.13824  26.4403     247.818     6.98102     67.8181     
1 1 1 21 13 9  o 17.8231 5.46436 0.679751     2.76157  0.122468     2.79145  10.7432     65.7836     10.5951     245.784     
1 1 1 21 13 10 o 22.6423 5.99356 3.56379      2.85638  2.34485      2.8154   23.3004     266.831     12.0534     266.831     
1 1 1 21 13 11 o 45.9737 4.6353  15.2496      3.15717  10.7997      3.12881  56.5128     162.952     16.3594     162.952     
1 1 1 21 13 12 o 24.3787 5.7794  0.954701     2.8794   5.99853      2.81704  23.7215     327.195     1.27041     327.195     
1 1 1 21 13 13 o 20.4572 5.78737 1.8403       2.81251  2.21348      2.71851  17.3619     182.603     0.827128    2.60283     
1 1 1 21 13 14 o 21.3602 5.83606 1.70288      2.77255  3.21853      2.74383  19.0971     203.531     0.529215    203.531     
1 1 1 21 13 15 o 25.8388 6.07187 5.18868      2.88099  3.7112       2.80824  29.2592     55.8679     11.8959     55.8679     
1 1 1 21 13 16 o 19.881  5.70773 2.39149      2.78025  1.13812      2.71483  14.1001     331.867     6.45398     331.867     
1 1 1 21 13 17 o 37.576  5.51005 12.8324      3.30297  6.18756      2.93335  41.2597     19.603      5.30068     19.603      
1 1 1 21 13 18 o 23.8191 6.20816 5.03202      3.13469  2.17031      3.04179  21.6617     353.024     1.24464     173.024     
1 1 1 21 13 19 o 17.6508 5.53211 0.809881     3.10778  -0.251322    2.86578  7.18046     113.591     17.9921     293.591     
1 1 1 21 13 20 o 28.0012 6.39382 6.16918      3.20746  5.31311      3.07881  34.8586     188.825     23.2946     188.825     
1 1 1 21 13 21 o 19.4972 5.65319 1.4389       2.69142  2.39064      2.74862  16.2003     230.272     1.94146     50.2719     
1 1 1 21 13 22 f 18.7211 5.48655 0.670033     2.67945  2.47596      2.59724  9.3852      16.4936     0           0           
1 1 1 21 13 23 f 39.5269 5.05995 12.6126      3.00793  8.54056      2.89001  30.0509     262.425     0           0           
1 1 1 21 13 24 o 19.7955 5.73819 2.78401      2.85996  1.79958      2.7371   18.201      216.295     0.0564977   36.295      
1 1 1 21 13 25 o 16.8373 5.29267 0.742472     2.84168  0.408899     2.66138  0.246959    94.6254     32.7503     274.625     
1 1 1 21 13 26 o 22.7323 6.05073 4.91571      2.78781  2.48161      3.26167  19.424      199.473     5.35147     19.4729     
1 1 1 21 13 27 o 22.2386 6.00687 1.36197      2.92023  5.76074      3.14793  19.1633     122.942     4.24323     302.942     
1 1 1 21 13 28 o 15.7239 5.04848 1.11127      2.70359  -1.24666     2.69967  11.3618     74.2034     2.26485     74.2034     
1 1 1 21 13 29 o 20.8859 5.99599 4.81786      3.37092  1.83984      2.68215  15.2016     298.958     10.8128     298.958     
1 1 1 21 13 30 o 18.5591 5.93751 -0.625685    3.93149  3.08047      3.59444  19.0319     114.273     7.95619     114.273     
1 1 1 21 13 31 o 17.2427 5.74073 -0.766698    3.78613  1.0638       4.06337  14.8593     272.375     8.61751     272.375     
1 1 1 21 13 32 o 16.1914 5.42132 -0.714162    3.19884  0.191027     3.94371  14.5173     290.475     5.39681     290.475     
1 1 1 21 13 33 o 17.1356 5.42414 0.967448     2.6766   2.03494      3.19074  12.7727     294.292     5.61719     114.292     
1 1 1 21 13 34 o 14.537  4.78542 -1.04493     2.57832  0.575585     2.65355  6.64584     290.664     13.0537     110.664     
1 1 1 21 13 35 o 14.3414 4.8082  0.276893     3.04141  -1.40013     2.60392  9.42321     281.738     5.35392     101.738     
1 1 1 21 13 36 o 20.6275 5.81293 5.5517       2.96208  2.20012      2.78209  21.7019     277.576     9.8421      277.576     
1 1 1 21 13 37 o 15.2106 5.04595 -2.72735     2.77165  2.39442      3.24142  7.35916     280.43      0.67406     280.43      
1 1 1 21 13 38 o 12.1151 4.17595 -4.21364     2.62293  -0.929211    2.50196  2.57985     220.242     3.4274      40.2416     
1 1 1 21 13 39 o 19.3201 5.30946 6.53328      2.76337  -1.23454     2.76321  3.87569     52.2031     2.57834     52.2031     
1 1 1 21 13 40 o 13.9812 4.65726 -1.35387     2.66534  1.32246      2.6101   1.70102     163.286     0.712452    163.286     
1 1 1 21 13 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 14 0  o 15.9935 6.98083 1.66141      3.37507  1.66141      3.37507  11.9082     90          5.52146     270         
1 1 1 21 14 1  o 35.5114 6.33152 13.0275      3.93087  4.4898       3.48693  37.6602     321.182     2.5456      321.182     
1 1 1 21 14 2  o 14.5867 4.9638  -2.7872      3.53063  -4.35219     2.92575  6.90756     123.096     7.40432     303.096     
1 1 1 21 14 3  o 25.5548 6.21084 4.77117      2.98705  3.66803      2.94732  26.4993     358.353     4.53567     358.353     
1 1 1 21 14 4  o 16.6897 5.32521 -0.0511417   3.04611  -1.14584     2.75436  4.60028     263.901     21.4848     83.9011     
1 1 1 21 14 5  o 30.9356 6.39082 7.57285      3.31664  5.52344      3.20489  31.1517     355.408     0.245864    355.408     
1 1 1 21 14 6  o 21.3876 6.11652 1.37608      3.17365  2.87132      3.12567  16.9448     0.610331    5.30821     180.61      
1 1 1 21 14 7  f 31.1897 6.58012 6.78894      3.62598  6.72862      3.1869   16.4138     33.2659     0           0           
1 1 1 21 14 8  o 28.1189 6.1395  7.9193       3.20547  2.52495      3.1528   25.0474     94.7819     5.77767     274.782     
1 1 1 21 14 9  o 42.9261 5.18048 9.91389      3.38399  13.541       3.11927  38.2278     229.465     13.6723     49.4652     
1 1 1 21 14 10 o 24.0587 5.74249 -0.20361     2.97048  6.4475       2.94886  20.7954     346.956     4.44296     166.956     
1 1 1 21 14 11 o 37.3141 5.45251 7.00069      3.04616  11.2593      3.02455  49.306      261.556     23.5908     261.556     
1 1 1 21 14 12 o 32.9727 5.71429 9.70666      2.9994   4.94625      2.94509  30.9732     240.811     5.15828     60.8109     
1 1 1 21 14 13 o 52.7459 4.1428  15.5652      3.30273  18.0134      3.29239  47.0611     120.713     17.5861     300.713     
1 1 1 21 14 14 o 18.7437 5.58646 1.22256      2.76728  1.13065      2.7392   13.7114     291.867     3.50821     111.867     
1 1 1 21 14 15 o 28.8001 6.358   7.38504      3.26807  4.32404      3.13336  27.0839     218.291     2.58985     38.2912     
1 1 1 21 14 16 o 20.3755 6.01438 1.82026      3.20824  1.90062      3.08117  17.4428     6.76443     0.587033    6.76441     
1 1 1 21 14 17 f 25.1746 6.31655 6.00871      3.2448   2.73113      3.09812  14.9811     215.424     0           0           
1 1 1 21 14 18 o 15.8341 5.15144 -2.15937     3.01673  0.0515121    2.84926  7.26257     42.6845     1.45526     42.6846     
1 1 1 21 14 19 o 20.6625 5.67813 4.01095      2.76064  0.83571      2.65014  16.7066     336.145     4.7033      156.145     
1 1 1 21 14 20 o 23.9094 5.8122  2.03272      2.81507  5.78646      2.73367  14.748      282.781     17.9961     102.781     
1 1 1 21 14 21 o 14.7311 4.87177 -0.159098    2.92359  -2.47978     2.56649  7.07924     37.9313     1.92815     37.9314     
1 1 1 21 14 22 o 21.3046 5.9981  2.67552      3.21474  3.32176      2.74994  11.972      111.701     17.9438     291.701     
1 1 1 21 14 23 o 30.2054 6.16237 7.64223      3.0394   6.46961      3.03138  27.9549     129.963     5.46136     309.963     
1 1 1 21 14 24 o 17.8981 5.47778 0.659612     2.82702  1.82298      2.76213  10.2024     314.69      13.4737     134.69      
1 1 1 21 14 25 o 19.1133 5.53682 0.0685229    2.83272  3.60183      2.69008  18.9351     216.306     6.98441     216.306     
1 1 1 21 14 26 o 19.5324 5.65858 1.68482      2.76953  3.11167      2.71698  17.8661     257.434     1.56296     257.434     
1 1 1 21 14 27 o 17.0656 5.26754 2.85837      2.83279  -1.31128     2.64322  14.9613     265.771     4.38667     265.771     
1 1 1 21 14 28 o 16.0833 5.15304 0.565382     2.81705  0.285546     2.68268  12.0807     286.478     5.95784     286.478     
1 1 1 21 14 29 o 24.3005 6.03624 2.68426      3.08249  7.22367      3.00704  20.6244     269.691     6.96897     89.6913     
1 1 1 21 14 30 o 15.2022 5.01906 0.127808     3.02103  -0.740787    2.76371  12.7573     64.6395     5.23001     64.6395     
1 1 1 21 14 31 o 26.4579 6.74602 7.20476      3.17573  6.93773      4.05721  25.9538     235.29      0.253836    235.29      
1 1 1 21 14 32 o 19.2316 5.72699 0.371797     3.21226  4.62874      2.99223  17.2877     345.157     0.436609    165.157     
1 1 1 21 14 33 o 14.9756 4.99504 -1.75817     2.97914  0.796059     3.06241  11.7961     300.684     2.73461     300.684     
1 1 1 21 14 34 o 20.2771 6.01946 1.61938      3.23294  5.79103      3.37501  20.2446     267.007     12.7386     267.007     
1 1 1 21 14 35 o 17.2277 5.60863 0.585933     3.785    2.32101      3.222    13.7583     177.402     3.60824     177.402     
1 1 1 21 14 36 o 12.9774 4.44759 -3.04232     2.55713  -0.657187    2.88789  4.13763     311.73      3.34767     131.73      
1 1 1 21 14 37 o 19.2447 5.63011 1.89093      2.75733  4.60523      2.83086  12.5912     172.962     6.31558     172.962     
1 1 1 21 14 38 o 15.9496 5.10434 2.04432      2.69037  1.03624      2.70952  11.0415     134.538     2.51574     134.538     
1 1 1 21 14 39 o 12.5965 4.32355 -2.50901     2.65504  -0.411356    2.62888  7.38737     199.259     1.22902     19.2593     
1 1 1 21 14 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 15 0  o 8.57101 4.39646 -5.95454     3.17352  -5.95454     3.17352  0.0758471   269.999     0.394883    269.999     
1 1 1 21 15 1  o 25.2361 6.42175 4.63932      3.19523  3.69304      3.19459  22.7316     180.314     2.50953     0.314197    
1 1 1 21 15 2  o 33.8374 6.48209 8.46007      3.34507  7.46339      3.60577  31.0226     237.289     6.63525     57.2886     
1 1 1 21 15 3  o 54.8484 4.42658 16.0573      3.40566  20.7209      3.94081  75.6658     184.421     36.6123     184.421     
1 1 1 21 15 4  o 30.5111 6.38716 6.10177      3.09109  6.81779      3.3354   29.5797     145.307     1.45815     325.307     
1 1 1 21 15 5  o 17.1693 5.45147 0.803108     3.19082  -1.64863     2.84992  10.6149     120.621     0.863599    120.621     
1 1 1 21 15 6  o 29.4065 6.48885 7.29136      3.34806  4.76096      3.27122  30.0303     90.4031     2.64324     90.4031     
1 1 1 21 15 7  o 14.171  4.80643 -3.83246     3.07293  -2.70435     2.9866   3.20627     98.2406     1.02469     278.241     
1 1 1 21 15 8  o 22.2103 6.1332  1.92005      2.95457  3.6048       3.15769  12.3668     319.005     17.8287     139.005     
1 1 1 21 15 9  o 28.8513 6.08039 7.43809      3.05905  3.96357      2.93901  27.5408     77.0427     1.62968     257.043     
1 1 1 21 15 10 o 49.253  4.44998 17.0628      3.30926  12.845       3.22668  54.3253     22.4892     5.64374     22.4892     
1 1 1 21 15 11 o 20.7941 5.79515 3.73283      2.89611  0.494859     2.79465  18.6677     299.743     4.01381     299.743     
1 1 1 21 15 12 o 18.6548 5.60323 3.01866      3.13157  -1.66369     2.78434  5.29446     240.692     24.5327     60.6917     
1 1 1 21 15 13 o 19.9531 5.90746 -1.57736     3.62937  3.33535      3.03906  12.1165     319.564     6.26589     319.564     
1 1 1 21 15 14 o 26.399  6.40112 2.70621      3.54925  6.84514      3.19994  23.6163     149.942     3.91297     329.942     
1 1 1 21 15 15 o 23.0589 6.54501 2.93112      4.10675  3.68371      3.11467  23.8003     11.0198     9.57928     11.0198     
1 1 1 21 15 16 o 25.8028 6.49116 5.57949      3.33802  4.30587      3.16813  19.3132     206.183     12.0375     26.183      
1 1 1 21 15 17 o 16.3516 5.16578 -1.72394     2.73128  1.3486       2.74138  5.68286     320.562     18.5712     140.562     
1 1 1 21 15 18 o 25.2334 6.07854 5.02137      2.88446  4.41653      2.77506  22.2138     310.307     4.90021     130.307     
1 1 1 21 15 19 o 28.2685 5.97172 3.96505      2.89297  8.05629      2.9838   18.6077     87.6732     20.1174     267.673     
1 1 1 21 15 20 o 21.5332 6.06494 4.07261      3.03976  2.1368       3.10176  23.968      301.826     11.0937     301.826     
1 1 1 21 15 21 o 37.9333 5.59177 8.99017      3.13563  11.6969      3.19164  41.6747     232.972     5.37585     232.972     
1 1 1 21 15 22 o 29.0397 6.08659 3.7498       3.67307  9.13891      2.9762   28.4727     203.017     1.07222     23.0167     
1 1 1 21 15 23 o 16.4509 5.20345 -0.114567    2.74661  0.951533     2.68887  11.3493     286.801     4.82254     286.801     
1 1 1 21 15 24 o 41.1985 5.1467  12.9983      3.18507  10.8647      3.09739  53.9643     238.792     24.2142     238.792     
1 1 1 21 15 25 o 21.0533 5.92662 5.04515      3.20996  1.58014      2.66462  18.2485     318.467     12.2053     318.467     
1 1 1 21 15 26 o 18.6816 5.63137 3.31859      3.08727  0.832976     2.65342  11.6019     303.585     12.1974     123.585     
1 1 1 21 15 27 o 28.5295 6.43982 5.35815      3.3083   9.21628      3.34323  28.3359     142.917     0.0958404   322.917     
1 1 1 21 15 28 o 13.8155 4.63155 -0.371834    2.76622  -1.99985     2.49661  10.0098     123.387     3.62206     123.387     
1 1 1 21 15 29 o 16.8423 5.37419 1.60647      3.13841  0.613672     2.75871  14.8384     220.479     0.618293    220.479     
1 1 1 21 15 30 o 19.6093 5.79592 4.91363      3.07505  0.625339     3.15591  18.2433     345.938     0.965309    345.938     
1 1 1 21 15 31 o 19.0337 5.72386 1.55547      2.70622  4.14812      3.18479  19.2453     276.83      9.95928     276.83      
1 1 1 21 15 32 o 11.5965 4.02975 -2.37959     2.52199  -3.64793     2.46821  5.90828     322.681     2.45278     142.681     
1 1 1 21 15 33 o 15.1535 4.9206  1.45634      2.59347  -0.901469    2.76372  11.0187     278.533     2.14129     98.5327     
1 1 1 21 15 34 o 13.3027 4.49475 -1.57291     2.65419  -0.730857    2.53871  4.82519     286.323     10.5918     106.323     
1 1 1 21 15 35 o 18.7481 5.6927  0.2578       3.26056  4.86513      3.07869  14.0092     262.904     2.56449     262.904     
1 1 1 21 15 36 o 15.9091 5.29388 -0.543405    3.12896  1.91729      3.51283  7.60337     295.776     1.72787     295.776     
1 1 1 21 15 37 o 14.3526 4.87229 0.633719     3.13098  -1.27345     3.13423  7.19311     236.002     1.41306     236.002     
1 1 1 21 15 38 o 12.5073 4.35001 -2.43216     2.50506  -1.39747     3.22201  5.76172     284.926     1.19398     284.926     
1 1 1 21 15 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 16 0  o 23.1003 7.88346 4.99459      3.25751  4.99459      3.25751  22.1217     90          14.2641     90          
1 1 1 21 16 1  o 18.5222 5.75677 -1.87541     3.131    2.12629      3.3965   10.1973     246.64      3.515       246.64      
1 1 1 21 16 2  o 30.5602 6.48849 6.8371       3.32758  6.40273      3.26866  32.9863     218.074     6.74632     218.074     
1 1 1 21 16 3  o 22.4613 6.17151 3.50794      3.15075  2.43262      2.98395  20.1156     302.194     0.645904    302.194     
1 1 1 21 16 4  o 21.3432 5.8051  4.6425       2.97505  -0.522582    2.95433  16.4966     205.832     5.62359     25.8321     
1 1 1 21 16 5  o 17.838  5.5468  2.01614      3.20845  -1.87045     2.84912  10.0539     215.017     2.86853     215.017     
1 1 1 21 16 6  o 25.226  6.34682 1.85038      3.36878  6.326        3.28043  24.6355     239.329     2.53067     239.329     
1 1 1 21 16 7  o 22.5004 6.01258 -0.481754    3.24026  5.46757      3.16689  19.6144     221.615     1.60501     41.6146     
1 1 1 21 16 8  o 13.5844 4.63553 -2.1093      2.786    -5.41674     3.16556  3.37042     355.273     13.9641     175.273     
1 1 1 21 16 9  o 16.9006 5.42322 -0.0224174   2.88249  -0.874947    3.26587  11.2142     68.0688     2.20779     248.069     
1 1 1 21 16 10 o 20.1863 6.00963 2.24136      3.27257  1.40959      3.09228  15.8306     178.327     3.78512     358.327     
1 1 1 21 16 11 o 24.9002 6.43068 3.0176       3.38343  5.61125      3.22542  27.8977     297.467     14.4573     297.467     
1 1 1 21 16 12 o 21.5691 6.31062 2.02522      3.2749   3.2731       3.56757  14.8559     247.506     10.6713     67.5063     
1 1 1 21 16 13 o 25.2714 6.4652  5.87095      3.38026  3.58964      3.15984  21.1884     260.396     6.39936     80.3961     
1 1 1 21 16 14 o 24.9042 5.967   2.6559       2.94208  6.1222       2.83062  27.6367     195.859     9.33419     195.859     
1 1 1 21 16 15 o 25.4781 5.7933  0.75019      3.36628  7.58055      2.87843  29.3175     201.416     21.4904     201.416     
1 1 1 21 16 16 o 46.844  4.7776  10.7345      3.22041  18.4366      3.20952  57.6481     123.373     18.3818     123.373     
1 1 1 21 16 17 o 39.336  5.83912 9.27417      3.6655   13.2599      3.18544  42.3609     239.173     4.04622     239.173     
1 1 1 21 16 18 o 28.7661 6.22647 9.39525      3.41874  3.79735      2.96903  31.2553     350.608     5.61258     350.608     
1 1 1 21 16 19 o 16.3679 5.35008 -1.09291     3.7319   0.060779     2.67338  13.0925     189.625     4.83774     189.625     
1 1 1 21 16 20 o 18.6536 5.66546 1.72749      3.07901  1.65767      2.7751   17.0257     200.666     2.17988     200.666     
1 1 1 21 16 21 o 17.2695 5.38854 0.380205     2.92743  1.39943      2.71736  13.8475     327.757     1.1474      147.757     
1 1 1 21 16 22 o 14.7922 4.86696 -0.605312    2.68855  -0.859038    2.68959  8.68747     236.408     6.06691     56.4076     
1 1 1 21 16 23 o 20.7626 5.83346 2.28534      2.79649  4.00382      2.84534  17.1694     127.929     4.3765      307.929     
1 1 1 21 16 24 o 16.2731 5.20081 0.094963     2.65493  0.950272     2.90143  9.86682     230.163     5.3558      230.163     
1 1 1 21 16 25 o 13.9832 4.65143 -1.43198     2.63459  -0.558534    2.52292  9.21053     170.193     5.77079     350.193     
1 1 1 21 16 26 o 16.0694 5.16568 1.42913      2.88568  -0.472548    2.72998  14.3514     195.309     1.52481     195.309     
1 1 1 21 16 27 o 18.0633 5.62267 1.0248       2.93492  2.77997      3.15399  18.0132     311.591     8.55827     311.591     
1 1 1 21 16 28 o 16.0504 5.13333 -0.710082    2.81166  1.91354      2.74481  12.2091     226.858     3.40159     46.8583     
1 1 1 21 16 29 o 29.6012 6.49207 8.24849      3.49845  8.30343      3.07707  33.2207     282.228     8.92907     282.228     
1 1 1 21 16 30 o 23.4626 6.49001 3.79166      3.72026  7.5725       3.48103  24.1252     183.895     4.80474     183.895     
1 1 1 21 16 31 o 15.6695 5.0331  1.66219      2.67622  -0.125398    2.66392  12.7022     149.435     0.103416    149.435     
1 1 1 21 16 32 o 19.5853 5.51679 5.93684      2.90548  0.0647533    2.62442  18.0598     297.96      3.07011     297.96      
1 1 1 21 16 33 o 17.7608 5.37845 3.44321      2.67232  0.94948      2.72636  9.56066     5.56954     3.8717      5.56954     
1 1 1 21 16 34 o 19.4234 5.67192 3.98892      2.79806  2.83266      2.73374  15.9275     52.0887     1.66391     52.0887     
1 1 1 21 16 35 o 15.9918 5.11905 2.12299      2.78051  0.84103      2.64332  9.88251     57.8795     2.45895     57.8795     
1 1 1 21 16 36 o 13.8615 4.63583 0.329817     2.63298  -0.274599    2.60161  6.69351     300.062     1.7284      300.062     
1 1 1 21 16 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 16 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 17 0  o 11.7722 5.6254  -0.727986    2.98633  -0.727986    2.98633  5.0319      270         33.2441     270         
1 1 1 21 17 1  f 20.4296 5.78597 4.92514      3.19003  -3.27774     3.38064  6.47737     107.391     0           0           
1 1 1 21 17 2  o 50.3438 5.04413 21.6893      3.68176  11.6993      3.58765  64.9992     3.09441     26.3814     3.09441     
1 1 1 21 17 3  o 19.7312 5.84887 -0.969529    3.15149  3.53816      3.19196  9.14673     193.549     18.6381     13.5491     
1 1 1 21 17 4  o 31.2441 6.04601 4.51628      3.14011  9.62317      3.18361  34.0533     78.3415     6.80959     78.3415     
1 1 1 21 17 5  o 24.8871 6.41262 3.96732      3.40954  4.8655       3.03319  22.5248     265.202     1.88397     85.2015     
1 1 1 21 17 6  o 27.5771 6.98949 4.97225      3.8293   6.87908      3.78658  27.3592     52.0075     2.20782     52.0075     
1 1 1 21 17 7  o 25.5415 6.84208 2.55089      3.89994  6.89638      3.85595  24.244      126.896     0.555271    126.897     
1 1 1 21 17 8  o 15.8101 5.34908 -4.6439      3.8774   -1.40389     3.61249  7.00719     127.151     13.031      307.151     
1 1 1 21 17 9  o 19.6098 5.92032 2.78433      3.27179  0.4819       3.12727  10.8867     30.6946     6.39479     30.6946     
1 1 1 21 17 10 o 23.6571 5.84309 7.77328      3.33994  -1.59474     3.14697  23.4474     62.1429     2.69873     62.1429     
1 1 1 21 17 11 o 24.9846 6.13893 3.33793      3.00902  5.86848      2.94284  29.7936     358.027     15.8785     358.027     
1 1 1 21 17 12 o 21.8266 6.15664 3.24433      3.34029  3.19428      2.90593  21.6431     58.5522     3.95502     58.5522     
1 1 1 21 17 13 o 15.4573 5.06531 -1.33508     2.85332  -0.321429    2.89194  7.11628     177.313     3.09607     177.313     
1 1 1 21 17 14 o 23.2285 6.45727 4.7292       3.31837  3.36101      3.51888  19.6168     150.626     5.37415     330.626     
1 1 1 21 17 15 o 26.5847 6.17615 8.03393      3.1026   2.56705      3.51688  23.4698     212.729     5.54931     32.7288     
1 1 1 21 17 16 o 17.9337 5.50516 0.360372     2.91246  1.9745       2.8002   13.0002     159.463     6.59768     339.463     
1 1 1 21 17 17 o 29.6699 6.35173 6.11636      3.20767  8.0575       3.16886  26.8361     190.137     5.2633      10.1366     
1 1 1 21 17 18 f 17.2287 5.26882 -2.50075     2.84241  3.08643      2.79708  13.5152     171.894     0           0           
1 1 1 21 17 19 o 16.3294 5.20711 0.229142     2.7826   0.497442     2.75904  7.89679     188.356     3.4232      188.356     
1 1 1 21 17 20 f 12.2061 4.2132  -4.31891     2.64939  -2.29714     2.56975  3.65158     158.579     0           0           
1 1 1 21 17 21 o 15.3885 5.00312 0.437852     2.74299  -0.841271    2.71612  8.40779     299.941     10.3686     119.941     
1 1 1 21 17 22 o 23.1475 5.45086 7.74252      2.87884  -0.323318    2.76801  27.0458     354.669     11.3435     354.669     
1 1 1 21 17 23 o 13.1724 4.45648 -1.30201     2.57065  -2.19201     2.56043  8.52172     225.628     5.16844     45.6275     
1 1 1 21 17 24 o 16.3192 5.23297 0.778966     3.06009  0.646081     2.62608  15.2141     311.298     5.66541     311.298     
1 1 1 21 17 25 o 17.1791 5.4166  3.01827      3.19641  -0.331754    2.64414  15.9743     198.711     3.46924     198.711     
1 1 1 21 17 26 o 27.2275 6.1821  4.68956      3.14243  8.92861      3.11187  32.8558     346.299     14.382      346.299     
1 1 1 21 17 27 o 16.0467 5.20556 2.10546      2.78533  -2.70997     3.5851   13.5375     334.072     2.20024     334.072     
1 1 1 21 17 28 o 26.0521 6.37573 6.04304      3.42609  7.33773      2.97686  22.2997     339.15      5.87023     159.15      
1 1 1 21 17 29 o 15.0412 5.01926 1.21449      3.10748  -2.08949     3.03885  10.6978     293.976     3.76549     293.976     
1 1 1 21 17 30 o 19.398  5.70182 3.94322      2.72374  2.5121       3.00918  13.8169     211.459     8.46416     211.459     
1 1 1 21 17 31 o 18.6709 5.55592 3.99395      2.82658  1.62726      2.70005  13.2068     320.595     5.77481     320.595     
1 1 1 21 17 32 o 15.8336 5.05346 1.91454      2.67991  0.244945     2.58398  6.79408     214.794     0.518134    214.794     
1 1 1 21 17 33 o 13.2437 4.47053 0.188611     2.60391  -2.22538     2.5194   4.75871     104.254     1.73547     284.254     
1 1 1 21 17 34 o 15.3903 4.97718 -1.13591     3.01157  2.64123      2.61245  2.40995     137.938     1.07489     137.938     
1 1 1 21 17 35 f 16.058  5.117   0.46959      2.84962  2.91892      2.64997  14.5502     223.399     0           0           
1 1 1 21 17 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 18 0  o 21.3138 7.83987 4.68618      3.34505  4.68618      3.34505  18.6903     90          7.07855     270         
1 1 1 21 18 1  o 19.1977 5.98807 1.4907       3.27549  0.928275     3.66362  16.95       137.448     7.02091     137.448     
1 1 1 21 18 2  o 17.4567 5.65478 0.616016     3.48641  -1.08295     3.39924  14.12       201.243     1.71664     201.243     
1 1 1 21 18 3  o 28.1352 6.99288 7.8711       3.73804  5.11409      3.9913   26.3446     307.315     1.90705     127.315     
1 1 1 21 18 4  o 21.2141 6.21744 2.27419      3.40541  3.20621      3.27611  12.2074     111.735     8.38518     111.735     
1 1 1 21 18 5  o 20.8611 6.28186 3.88498      3.85946  1.02978      3.24854  11.0069     237.649     17.8016     57.6494     
1 1 1 21 18 6  o 18.7584 5.77579 -2.94832     3.79624  3.27091      3.1686   16.2645     20.1384     0.294305    20.1384     
1 1 1 21 18 7  o 25.1572 6.59886 8.54878      3.9398   0.534927     3.76292  25.782      160.534     4.13766     160.534     
1 1 1 21 18 8  o 19.2456 5.86295 2.00342      3.02027  1.43501      3.30636  17.6094     161.364     1.65042     161.364     
1 1 1 21 18 9  o 17.9882 5.55967 1.38979      2.94343  0.890392     2.89853  16.8028     114.27      7.09498     114.27      
1 1 1 21 18 10 o 20.6519 6.03193 2.08386      3.00856  3.3227       3.23371  20.7172     37.5903     4.63762     37.5903     
1 1 1 21 18 11 o 40.0841 5.50861 12.7982      3.29523  10.0928      3.25235  30.9533     108.62      20.3012     288.62      
1 1 1 21 18 12 o 18.5573 5.39264 -3.72032     2.98895  4.49196      2.92582  18.0417     205.498     7.16783     205.498     
1 1 1 21 18 13 o 15.2318 5.09242 -1.3433      3.35096  -1.53415     2.93501  9.82904     253.551     5.3003      73.5507     
1 1 1 21 18 14 o 21.9343 6.1525  2.76635      3.03874  4.34127      3.18829  19.2099     293.959     2.11471     113.959     
1 1 1 21 18 15 o 16.647  5.30586 1.56491      2.96245  -1.03762     2.86938  12.165      133.529     2.88102     313.529     
1 1 1 21 18 16 o 27.228  6.23696 4.5309       3.11862  7.66795      3.0765   15.9812     296.639     21.8103     116.639     
1 1 1 21 18 17 o 17.3617 5.43616 1.44214      2.86455  0.706136     2.90054  14.271      240.815     0.360005    240.815     
1 1 1 21 18 18 o 17.0164 5.35339 1.91091      2.88593  -0.211021    2.82932  14.1158     19.3464     0.0169786   199.347     
1 1 1 21 18 19 o 24.915  6.24286 4.88248      3.02891  5.85489      2.99477  27.6955     318.01      8.75365     318.01      
1 1 1 21 18 20 o 29.9012 6.49857 5.53959      3.10819  10.6509      3.65493  26.579      145.922     6.18825     325.922     
1 1 1 21 18 21 o 17.3714 5.48571 1.32277      2.787    1.33139      3.20572  15.9765     235.585     1.87316     235.585     
1 1 1 21 18 22 o 18.6987 5.59033 3.3944       2.74139  1.09192      2.981    19.0413     216         6.50281     216         
1 1 1 21 18 23 o 21.1986 5.86454 6.62391      3.25157  0.837839     2.69707  19.4901     177.142     0.311167    357.142     
1 1 1 21 18 24 o 17.1775 5.18141 4.07794      2.73831  -2.2772      2.71676  12.5474     301.593     5.6027      121.593     
1 1 1 21 18 25 o 15.1025 4.93963 1.60391      2.79863  -2.00761     2.76336  10.1032     19.0404     4.10183     19.0404     
1 1 1 21 18 26 o 17.8348 5.49684 3.23738      2.89699  0.996425     2.86818  16.6186     250.95      7.55903     250.95      
1 1 1 21 18 27 o 14.9689 4.90574 -0.69983     2.61938  1.06637      2.77687  3.87746     301.818     1.99199     301.818     
1 1 1 21 18 28 o 17.9775 5.54128 3.24083      3.02664  1.62585      2.74702  15.1854     181.326     1.95799     181.326     
1 1 1 21 18 29 o 15.2409 5.04955 -0.280709    3.10334  0.514555     2.8753   6.47249     54.3299     0.768906    54.3299     
1 1 1 21 18 30 o 19.028  5.64492 4.07005      2.9025   2.21035      2.71972  11.6387     301.39      4.71377     301.39      
1 1 1 21 18 31 o 20.1834 5.88399 6.02757      3.27575  2.07156      2.74472  13.7691     205.673     7.66913     205.673     
1 1 1 21 18 32 o 25.1475 6.46076 8.64631      3.59469  6.28736      2.87168  21.4985     167.309     3.79931     347.309     
1 1 1 21 18 33 o 15.5742 4.97692 -2.14427     3.07432  3.37499      2.61151  8.41281     55.1716     4.17055     55.1716     
1 1 1 21 18 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 19 0  f 10.7042 5.33722 -2.82128     3.49936  -2.82128     3.49936  8.70397     90          0           0           
1 1 1 21 19 1  o 20.5816 6.29041 -0.248339    3.62385  4.531        3.91493  13.387      53.3594     11.9503     233.359     
1 1 1 21 19 2  o 29.2697 6.9615  3.91139      4.10206  10.7757      4.07043  29.6929     276.342     2.58483     276.342     
1 1 1 21 19 3  o 19.9204 6.27162 2.68524      3.91525  0.658356     3.89963  19.1888     4.25183     9.66567     4.25183     
1 1 1 21 19 4  o 21.0128 6.22579 4.15435      3.55358  1.43383      3.31011  20.438      298.776     3.78443     298.776     
1 1 1 21 19 5  o 18.3972 5.81983 2.90028      3.66762  -1.28634     3.20759  15.5989     214.203     7.70033     214.203     
1 1 1 21 19 6  o 21.3197 6.35922 5.90469      4.11508  -0.0780634   3.23894  22.1325     249.309     11.0355     249.309     
1 1 1 21 19 7  o 16.037  5.35558 -2.72227     3.52337  -0.208424    3.4715   4.5944      309.025     2.20928     309.025     
1 1 1 21 19 8  o 23.4726 6.53354 5.00526      3.27367  3.68225      3.79749  16.9181     199.735     10.8689     19.7345     
1 1 1 21 19 9  o 23.323  6.37118 7.06887      3.68256  1.24376      3.24066  25.4959     2.05242     10.8775     2.05242     
1 1 1 21 19 10 o 18.6275 5.84347 0.761118     3.62478  1.89657      3.12628  16.2608     129.648     3.16167     129.648     
1 1 1 21 19 11 o 19.7508 6.02428 2.78165      3.20485  1.68272      3.52582  13.512      232.164     8.72558     52.1635     
1 1 1 21 19 12 o 28.0432 6.25137 9.40683      3.33352  3.70976      3.23079  31.4172     320.818     9.99525     320.818     
1 1 1 21 19 13 f 17.0377 5.38401 2.62429      3.06777  -1.88276     2.96629  12.0685     61.8038     0           0           
1 1 1 21 19 14 o 21.0567 5.97279 0.791581     3.4209   5.05728      3.0093   20.3542     299.963     3.19474     299.963     
1 1 1 21 19 15 o 18.8246 5.8026  3.18691      3.41471  0.913917     2.91087  12.013      156.36      10.8259     336.36      
1 1 1 21 19 16 o 15.7903 5.12999 1.17901      2.89537  -1.29052     2.88811  12.282      173.458     2.27048     353.458     
1 1 1 21 19 17 o 17.6568 5.38512 -2.17951     2.9952   3.84004      2.91235  16.7338     139.719     9.98811     139.719     
1 1 1 21 19 18 o 20.5592 5.88323 3.66847      2.95954  3.13246      2.81998  19.0553     184.692     0.190213    184.692     
1 1 1 21 19 19 o 15.5182 5.01295 0.0972301    2.74502  0.542181     2.60643  8.85086     202.458     4.88839     202.458     
1 1 1 21 19 20 o 19.9054 5.67393 4.42006      2.77384  1.66868      2.76223  18.1114     343.559     12.2801     343.559     
1 1 1 21 19 21 o 13.2312 4.49713 -0.919749    2.71339  -2.60355     2.65098  5.0964      321.082     1.53418     321.082     
1 1 1 21 19 22 o 18.1617 5.53105 2.78934      2.90157  1.77497      2.70823  13.878      34.0806     8.4395      34.0806     
1 1 1 21 19 23 o 14.7272 4.84699 -1.1286      2.75925  0.72865      2.64388  9.08895     338.122     3.49941     338.122     
1 1 1 21 19 24 o 13.9108 4.65889 0.0255855    2.6869   -1.59489     2.65432  8.89877     195.384     1.93074     195.384     
1 1 1 21 19 25 o 16.2081 5.10683 -2.13556     2.83385  3.2638       2.75992  8.71161     128.434     4.52632     128.434     
1 1 1 21 19 26 o 20.3181 6.08585 3.73693      2.90914  4.41006      3.72782  18.7219     257.118     4.83591     257.118     
1 1 1 21 19 27 o 14.2161 4.75521 0.703064     2.92809  -1.71681     2.54541  2.33207     61.2096     0.0654546   241.21      
1 1 1 21 19 28 o 14.6701 4.93199 -0.427341    3.02302  -0.433333    3.05203  4.18792     100.444     0.652272    280.445     
1 1 1 21 19 29 o 17.359  5.45081 1.69753      2.72496  2.82555      3.08783  4.45021     47.5175     2.02986     47.5175     
1 1 1 21 19 30 o 13.979  4.68838 0.718539     2.6442   -1.31124     2.86327  7.43263     299.906     0.681206    119.906     
1 1 1 21 19 31 f 12.849  4.39147 -1.20379     2.84094  -0.915431    2.44183  8.40551     301.984     0           0           
1 1 1 21 19 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 19 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 20 0  o 16.86   7.06012 2.93035      3.1668   2.93035      3.1668   13.5703     90          5.61635     270         
1 1 1 21 20 1  o 24.1324 6.33464 5.34771      3.154    4.30789      3.14032  24.1063     151.942     4.53341     151.942     
1 1 1 21 20 2  o 30.7937 6.63282 9.13268      3.51716  7.07978      3.38597  35.0004     101.949     11.5272     101.949     
1 1 1 21 20 3  o 20.7121 6.28064 3.8537       3.5344   1.76595      3.7538   18.3164     332.81      0.893106    332.81      
1 1 1 21 20 4  o 19.1083 5.9733  0.125276     3.46345  3.22827      3.57129  13.8836     187.924     5.8634      7.92352     
1 1 1 21 20 5  o 20.9849 6.20951 0.652147     3.82443  4.87066      3.36927  17.7823     353.417     1.88963     173.417     
1 1 1 21 20 6  o 24.616  6.64575 8.69516      4.05363  1.95932      3.38504  24.7368     317.549     4.47919     317.549     
1 1 1 21 20 7  o 28.9852 6.87038 3.77622      4.10112  11.5794      4.0644   33.2506     173.018     12.2579     173.018     
1 1 1 21 20 8  o 15.682  5.2544  -4.7099      3.16941  1.51495      3.65188  11.7488     194.846     0.424128    194.846     
1 1 1 21 20 9  o 22.0655 6.30171 4.51245      3.36367  3.50275      3.2647   22.0419     326.641     4.67832     326.641     
1 1 1 21 20 10 o 27.0469 6.76728 7.16434      3.7984   6.48734      3.26159  32.1837     52.4878     14.7781     52.4878     
1 1 1 21 20 11 o 18.4733 5.70671 2.87552      3.14014  0.853954     3.0664   14.7714     12.7553     3.67246     192.755     
1 1 1 21 20 12 o 21.1951 5.99789 5.27243      3.12009  1.70171      3.077    21.4702     331.193     4.49938     331.193     
1 1 1 21 20 13 o 15.2964 5.00949 -2.06498     2.93243  1.08874      2.81242  13.2726     25.4774     2.85771     25.4774     
1 1 1 21 20 14 f 18.7099 5.63664 1.28455      2.93237  3.20964      2.86933  27.6121     215.114     0           0           
1 1 1 21 20 15 o 22.6298 5.76    7.23216      2.99461  0.835299     2.88829  26.1896     173.969     12.1748     173.969     
1 1 1 21 20 16 o 20.2356 5.74626 1.24018      2.93696  4.9283       2.86572  18.5403     308.86      0.461521    308.86      
1 1 1 21 20 17 o 15.3305 4.97729 1.569        2.76258  -1.54971     2.71318  12.0818     122.678     3.62438     122.678     
1 1 1 21 20 18 o 13.9965 4.6871  -0.6736      2.76323  -1.11535     2.61355  9.62654     5.05955     0.572201    185.06      
1 1 1 21 20 19 o 16.2688 5.1618  -0.636136    2.84157  2.24117      2.70121  3.89146     316.857     22.2907     136.857     
1 1 1 21 20 20 o 20.645  5.84669 3.30954      2.88291  4.26716      2.79806  20.1592     92.1739     4.03678     92.1739     
1 1 1 21 20 21 o 17.9108 5.44104 0.485125     2.82041  3.74009      2.79923  16.3953     333.445     3.56324     333.445     
1 1 1 21 20 22 o 16.6803 5.17308 3.77266      2.81428  -1.74495     2.68864  7.6507      183.039     4.48186     183.039     
1 1 1 21 20 23 o 14.2467 4.70743 1.56668      2.67989  -2.92032     2.62057  7.87575     121.183     5.41207     301.183     
1 1 1 21 20 24 o 21.6208 5.98641 5.49912      2.93385  3.53968      2.96644  15.0478     266.49      8.72366     86.4896     
1 1 1 21 20 25 o 19.3032 5.66275 1.6012       2.82018  4.70292      2.89291  3.41658     279.971     1.80909     279.971     
1 1 1 21 20 26 o 13.5653 4.55004 -0.442551    2.57292  -0.926921    2.5397   4.66478     208.541     3.19571     28.5409     
1 1 1 21 20 27 o 19.226  5.70469 5.45835      3.1418   1.68036      2.66227  15.0522     313.574     1.45958     133.574     
1 1 1 21 20 28 o 15.2286 4.97736 -0.25412     2.58509  2.35798      2.905    7.33447     290.724     2.429       290.724     
1 1 1 21 20 29 o 15.8737 5.05275 -0.589431    2.62552  3.54712      2.76497  12.2898     215.995     4.65357     215.995     
1 1 1 21 20 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 20 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 21 0  o 12.5873 5.92946 0.362467     3.10815  0.362467     3.10815  0.71755     90.0001     0.277814    90.0001     
1 1 1 21 21 1  o 19.9627 5.84745 5.13467      3.19217  -0.184728    3.17956  19.4605     73.3394     3.54238     73.3394     
1 1 1 21 21 2  o 17.4928 5.59786 1.57646      3.24442  0.568133     3.23911  14.278      264.428     2.11929     84.4283     
1 1 1 21 21 3  o 15.7777 5.22632 -1.43127     3.26635  0.401163     3.15568  13.7083     173.584     4.57479     173.584     
1 1 1 21 21 4  o 18.5277 5.88938 1.6952       3.53478  1.81408      3.4891   17.2699     2.06244     2.46136     2.06244     
1 1 1 21 21 5  o 19.6424 6.10831 1.38042      3.89966  3.54332      3.4229   18.7822     42.2172     12.142      42.2172     
1 1 1 21 21 6  o 19.8648 5.98545 5.52747      3.65091  -0.00417855  3.00967  16.4226     183.635     3.5408      3.63472     
1 1 1 21 21 7  o 14.0672 4.82246 -6.73204     3.44714  -0.0798266   3.26169  10.2453     276.243     2.96759     276.243     
1 1 1 21 21 8  o 24.1277 6.66058 6.89069      3.73544  4.49191      3.47238  26.7656     136.043     10.0164     136.043     
1 1 1 21 21 9  o 17.3184 5.44622 0.384177     2.97564  2.25211      2.9304   15.5127     352.898     2.02922     352.898     
1 1 1 21 21 10 f 31.7019 6.33296 9.12295      3.32227  8.48806      3.13266  21.353      97.5302     0           0           
1 1 1 21 21 11 o 13.1812 4.51196 -0.83489     2.85924  -4.04088     2.79533  6.39684     164.052     1.80834     164.052     
1 1 1 21 21 12 o 14.8938 4.88962 -3.36676     2.87797  1.64243      2.78994  8.07731     318.982     9.57908     138.982     
1 1 1 21 21 13 o 21.0355 5.85192 0.771839     3.27727  5.98946      2.97192  22.7653     343.56      11.4974     343.56      
1 1 1 21 21 14 o 18.1265 5.57318 2.09554      2.94637  2.31759      2.85957  8.20498     232.923     16.9915     52.9227     
1 1 1 21 21 15 o 24.4012 5.95066 1.88495      3.03453  8.75003      3.18513  27.4448     210.432     10.9774     210.432     
1 1 1 21 21 16 o 22.8347 6.0281  3.36081      2.96562  6.32165      2.95012  18.1895     98.2544     6.22708     278.254     
1 1 1 21 21 17 o 18.1328 5.5436  3.0288       2.92105  1.82631      2.76462  15.0033     188.898     8.47146     188.898     
1 1 1 21 21 18 o 17.9709 5.47368 4.03466      2.909    0.216479     2.82621  8.94386     116.307     14.937      296.307     
1 1 1 21 21 19 o 22.4666 5.9172  6.91497      2.93763  2.3472       3.08963  20.7184     180.251     0.886002    180.251     
1 1 1 21 21 20 o 15.4934 5.024   0.355024     2.75945  1.0253       2.68684  8.0845      291.015     2.23477     291.015     
1 1 1 21 21 21 f 15.1403 4.8666  -3.31806     2.81887  2.60613      2.62545  6.4611      157.364     0           0           
1 1 1 21 21 22 o 15.6408 5.0329  0.962794     2.6122   0.835444     2.70805  4.77728     191.599     0.420814    191.599     
1 1 1 21 21 23 o 14.0148 4.6149  1.69808      2.54599  -3.207       2.56204  3.77172     235.459     1.15092     55.4585     
1 1 1 21 21 24 o 15.5307 4.99887 2.06032      2.70422  -0.182795    2.60471  9.03506     269.203     1.66106     89.2029     
1 1 1 21 21 25 o 14.0209 4.6707  0.136975     2.57821  -0.0604675   2.64018  5.83535     182.834     0.364334    182.834     
1 1 1 21 21 26 o 14.9151 4.90251 0.749823     2.92505  1.03815      2.53325  7.85811     2.45072     2.7288      2.45072     
1 1 1 21 21 27 o 18.7273 5.89255 4.45839      3.13406  3.44994      3.93501  17.2608     49.7088     3.45892     49.7088     
1 1 1 21 21 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 22 0  o 19.681  7.63872 4.68039      3.32992  4.68039      3.32992  9.85323     270         7.30337     270         
1 1 1 21 22 1  o 17.5151 5.55061 -0.177004    3.1841   2.87287      3.14981  12.3744     147.623     5.95356     327.623     
1 1 1 21 22 2  o 28.2377 6.67448 6.56264      3.42655  9.05905      3.49637  26.7952     195.907     0.0160173   195.91      
1 1 1 21 22 3  o 18.5805 5.86235 4.07633      3.39761  -1.01788     3.95264  6.27726     103.691     4.23084     103.691     
1 1 1 21 22 4  o 17.7175 5.64121 0.996264     3.28598  2.27319      3.22069  14.4817     56.9405     7.5642      56.9405     
1 1 1 21 22 5  o 23.2426 6.20069 2.83494      3.21878  7.14148      3.2301   26.0063     203.816     12.0768     203.816     
1 1 1 21 22 6  o 18.1737 5.78857 0.713107     3.95758  2.73529      3.11344  12.4969     282.613     7.4204      282.613     
1 1 1 21 22 7  o 17.8395 5.61774 5.26466      3.54765  -5.04834     3.57968  13.435      252.646     7.52949     252.646     
1 1 1 21 22 8  o 19.9995 6.02331 1.54804      3.13366  5.14366      3.49323  11.8945     345.673     12.9333     165.673     
1 1 1 21 22 9  o 19.2947 5.79105 1.95455      3.10086  3.84334      2.98661  18.2251     215.978     4.41777     215.978     
1 1 1 21 22 10 o 14.4557 4.83946 0.648234     2.9377   -2.48291     2.85365  5.95522     333.455     12.9302     153.455     
1 1 1 21 22 11 o 13.5659 4.61416 -0.136628    2.85144  -3.57864     2.88872  8.51947     300.839     2.03733     120.839     
1 1 1 21 22 12 o 12.6582 4.38172 -2.39065     2.87845  -3.10203     2.85352  5.83257     270.896     0.409018    270.896     
1 1 1 21 22 13 o 17.8945 5.57753 2.09822      2.9919   2.43125      2.99952  12.0679     123.756     7.37306     303.756     
1 1 1 21 22 14 o 17.1777 5.4399  2.38592      3.04264  1.11253      2.89753  13.0431     223.644     2.83953     43.6436     
1 1 1 21 22 15 o 15.3462 5.0218  -0.63928     2.83879  1.30541      2.82108  7.71076     180.93      2.86256     180.93      
1 1 1 21 22 16 o 18.7226 5.60151 1.00602      2.91778  4.4182       2.89779  15.6662     236.363     5.94853     236.363     
1 1 1 21 22 17 o 20.4106 5.75609 5.60578      2.90445  1.75463      2.85904  18.164      244.244     4.92326     244.244     
1 1 1 21 22 18 o 12.6919 4.3389  -0.770313    2.57587  -3.13001     2.6283   2.32325     348.733     2.15228     168.733     
1 1 1 21 22 19 o 12.2846 4.26407 -1.78789     2.79949  -3.94466     2.73841  2.02009     345.99      8.64909     165.99      
1 1 1 21 22 20 o 17.1909 5.28946 0.334974     2.68389  3.49208      2.73133  3.5968      282.345     1.40982     282.345     
1 1 1 21 22 21 o 13.3579 4.4885  0.419613     2.54252  -2.05765     2.52933  5.3654      223.98      5.33267     43.98       
1 1 1 21 22 22 o 17.8263 5.20334 -1.65334     2.70057  5.6121       2.73585  14.5037     147.856     2.42464     147.856     
1 1 1 21 22 23 o 12.7009 4.3107  -0.52805     2.48885  -1.17185     2.38712  6.2773      303.736     2.07202     123.736     
1 1 1 21 22 24 o 15.9956 5.21739 1.47311      2.67878  2.0542       3.30473  12.8411     233.764     4.58547     233.764     
1 1 1 21 22 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 22 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 23 0  o 9.5618  4.7875  -2.25412     2.91397  -2.25412     2.91397  2.4966      270         5.25457     90          
1 1 1 21 23 1  o 18.4777 5.6999  2.13854      3.08553  3.10481      3.0482   14.0958     315.065     8.35553     315.065     
1 1 1 21 23 2  o 14.1878 4.80576 -1.33366     2.99602  -0.882878    3.00447  9.30707     182.99      1.02759     182.99      
1 1 1 21 23 3  o 20.3547 6.0733  4.08452      3.22807  3.76651      3.29718  20.4209     81.1943     8.66597     81.1943     
1 1 1 21 23 4  o 18.364  5.69717 0.0915851    3.23978  4.38809      3.22956  16.8852     147.349     5.89647     147.349     
1 1 1 21 23 5  o 17.6542 5.53346 3.21563      3.01306  0.656366     3.09413  14.6873     211.284     7.16344     211.284     
1 1 1 21 23 6  o 22.3792 6.28184 8.56716      3.74771  1.5364       3.18992  24.239      7.22533     12.0462     7.22533     
1 1 1 21 23 7  o 18.384  5.91817 2.24511      3.76772  2.66713      3.60698  14.8717     147.356     7.73353     147.356     
1 1 1 21 23 8  o 19.1122 5.90656 1.7903       3.01503  4.55593      3.5712   13.0579     23.902      7.33889     203.902     
1 1 1 21 23 9  o 14.7187 4.92752 0.149426     2.9637   -1.0055      2.99212  8.90975     72.1075     3.30317     252.108     
1 1 1 21 23 10 o 18.2494 5.62777 3.84912      3.05558  1.1115       3.02668  14.6071     40.7917     5.02295     40.7917     
1 1 1 21 23 11 o 14.4337 4.83748 0.180699     2.85873  -1.31545     2.92697  6.12763     88.2174     9.45711     268.217     
1 1 1 21 23 12 o 20.6065 6.05506 4.37585      3.29933  3.9474       3.03323  15.8786     236.536     2.5333      56.5361     
1 1 1 21 23 13 o 21.3839 6.03896 4.68531      2.96491  4.30217      3.0492   18.2016     90.9194     2.41987     90.9194     
1 1 1 21 23 14 o 12.9643 4.42937 -3.28354     2.69677  -0.470377    2.70256  2.25183     233.758     2.55565     53.7576     
1 1 1 21 23 15 o 28.6169 6.23649 6.83108      3.02261  9.05737      3.09303  30.6234     282.861     11.1852     282.861     
1 1 1 21 23 16 o 20.8021 5.70896 1.38756      2.80941  6.4436       2.91483  15.9037     101.417     8.33098     101.417     
1 1 1 21 23 17 o 18.1596 5.51239 2.34145      2.75675  3.37485      2.79651  13.6777     251.824     1.44958     251.823     
1 1 1 21 23 18 o 15.3467 4.96404 -2.36977     3.0089   2.96226      2.7076   8.76921     124.869     1.04417     124.869     
1 1 1 21 23 19 o 14.8129 4.83364 1.87108      2.63139  -0.219694    2.55622  8.76274     271.981     1.3676      271.981     
1 1 1 21 23 20 o 12.6901 4.38918 -2.29107     2.71111  -1.11347     2.97089  4.05579     209.456     0.54026     209.456     
1 1 1 21 23 21 o 14.121  4.81561 -3.77791     2.64859  2.75201      3.38707  9.82472     154.941     1.47048     334.941     
1 1 1 21 23 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 24 0  o 13.9384 6.29603 1.83704      3.01173  1.83704      3.01173  6.82828     270         6.14498     90          
1 1 1 21 24 1  o 16.6668 5.31395 2.78088      2.9305   -0.300109    2.99953  7.29068     354.294     1.78666     354.294     
1 1 1 21 24 2  o 16.9965 5.37067 3.54421      3.04535  -0.726125    2.9235   10.185      168.263     0.936309    168.263     
1 1 1 21 24 3  o 17.1458 5.45431 1.64732      2.94911  1.92874      3.08626  9.49695     352.008     1.69401     352.008     
1 1 1 21 24 4  o 14.7929 4.94985 -1.10623     3.00193  0.375204     2.99848  5.78776     156.131     1.81877     336.131     
1 1 1 21 24 5  o 13.8021 4.69135 0.275699     3.01112  -3.13085     2.82767  3.41771     148.458     1.95258     328.458     
1 1 1 21 24 6  o 15.7077 5.19456 -0.500075    3.46462  1.10817      2.90228  3.91167     226.423     0.0905941   226.423     
1 1 1 21 24 7  o 20.475  5.98411 8.06616      3.6633   -1.49619     3.4231   11.6544     61.0215     5.62041     61.0215     
1 1 1 21 24 8  o 16.2602 5.27972 3.00332      3.06152  -2.16774     3.36914  8.1998      214.965     1.14534     34.965      
1 1 1 21 24 9  o 25.2426 6.04262 3.81541      3.17428  8.73579      3.02189  25.6352     201.544     9.75132     201.544     
1 1 1 21 24 10 o 15.1241 4.95144 -1.83306     2.82026  2.10354      2.81922  7.384       319.612     4.20039     139.612     
1 1 1 21 24 11 o 14.5179 4.81842 -1.63676     2.75609  1.3132       2.78808  6.79185     4.1685      4.44419     184.169     
1 1 1 21 24 12 o 16.9758 5.32062 3.43122      2.81358  0.525546     2.88007  11.5732     206.085     0.803904    26.085      
1 1 1 21 24 13 o 12.9031 4.42607 -2.80974     2.69991  -0.26111     2.7922   5.17775     2.9691      4.71229     182.969     
1 1 1 21 24 14 o 17.2802 5.33897 0.3399       2.78622  4.4495       2.85723  11.2506     133.262     5.80544     313.262     
1 1 1 21 24 15 o 13.5114 4.54022 -1.69781     2.61237  0.860983     2.58841  7.05655     127.708     5.34822     307.708     
1 1 1 21 24 16 o 14.3113 4.86013 -0.393684    2.77305  0.346337     3.41418  9.08975     351.156     1.88815     351.156     
1 1 1 21 24 17 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 24 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 24 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 25 0  o 10.5007 5.17007 -0.865052    2.99318  -0.865052    2.99318  1.61917     90          4.40457     270         
1 1 1 21 25 1  f 16.5694 5.33623 0.543417     2.9285   3.18073      3.11443  5.35009     123.654     0           0           
1 1 1 21 25 2  o 14.3259 4.77993 -3.52386     2.87921  2.26693      2.87617  7.31539     131.79      4.19521     311.79      
1 1 1 21 25 3  o 18.5093 5.61803 5.43876      3.06425  0.752896     3.04939  12.3144     155.664     6.02241     155.664     
1 1 1 21 25 4  o 19.2282 5.83307 4.44616      3.1185   3.57732      3.08241  15.6519     66.4097     1.29464     66.4097     
1 1 1 21 25 5  o 12.526  4.32768 -2.96509     2.82702  -0.962067    2.72002  4.86043     66.7323     3.22705     246.732     
1 1 1 21 25 6  f 14.6967 4.96341 2.52267      3.39164  -2.19051     2.80448  8.40843     352.941     0           0           
1 1 1 21 25 7  o 19.2751 5.90209 7.14799      3.52335  0.645264     3.43968  12.7534     80.4699     7.59469     80.4699     
1 1 1 21 25 8  o 15.966  5.24332 1.50033      2.82106  1.81689      3.38618  8.90842     196.574     3.73409     196.574     
1 1 1 21 25 9  o 14.0695 4.73005 1.2318       2.78518  -1.64176     2.90199  7.94709     24.7579     1.6102      24.758      
1 1 1 21 25 10 o 17.6152 5.46868 3.04065      2.87969  2.95634      2.82581  15.4298     64.3706     4.08715     64.3706     
1 1 1 21 25 11 o ?       ?       ?            ?        ?            ?        9.31659     68.5742     0           0           
1 1 1 21 25 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 25 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 25 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 26 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 26 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 26 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 26 3  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 26 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 21 26 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 0  0  o 46.1389 7.40446 13.5462      4.58652  13.5462      4.58652  74.2423     2.69102e-05 44.08       2.69102e-05 
1 1 1 22 0  1  o 8.80119 4.44734 -3.97332     2.73511  -3.97332     2.73511  0.845827    90.0002     3.07334     90.0002     
1 1 1 22 0  2  f 74.1554 3.21847 30.6793      3.64315  30.6793      3.64315  84.2442     360         0           0           
1 1 1 22 0  3  o 46.5791 4.71071 12.8259      3.17887  12.8259      3.17887  58.0622     90          8.81167     90          
1 1 1 22 0  4  o 10.0406 4.97447 -2.79692     2.89514  -2.79692     2.89514  0.592273    180         3.50268     180         
1 1 1 22 0  5  o 52.7244 4.18353 16.0381      3.28687  16.0381      3.28687  55.7024     90          10.0086     270         
1 1 1 22 0  6  o 21.8401 7.42261 4.08175      2.88413  4.08175      2.88413  22.6853     180         1.0207      8.65137e-06 
1 1 1 22 0  7  o 14.7926 6.3964  1.24128      2.77285  1.24128      2.77285  0.222105    90          30.304      270         
1 1 1 22 0  8  o 62.3457 3.57188 21.9579      3.37576  21.9579      3.37576  68.5671     360         6.26923     180         
1 1 1 22 0  9  o 61.5393 3.69707 21.4693      3.44305  21.4693      3.44305  53.1434     270         35.1906     90          
1 1 1 22 0  10 f 11.7446 5.55773 -0.763827    2.78541  -0.763827    2.78541  12.487      360         0           0           
1 1 1 22 0  11 o 21.5335 7.38879 4.01174      2.86662  4.01174      2.86662  18.6692     90          9.81548     90          
1 1 1 22 0  12 o 80.7248 3.01728 36.2894      3.72662  36.2894      3.72662  96.7305     180         8.22289     180         
1 1 1 22 0  13 o 13.8923 6.17257 0.787672     2.76082  0.787672     2.76082  2.91115     270         2.13353     89.9999     
1 1 1 22 0  14 o 37.2358 6.66696 9.27902      3.30532  9.27902      3.30532  36.7248     180         11.8628     8.6514e-06  
1 1 1 22 0  15 o 13.2341 6.00621 0.372467     2.78134  0.372467     2.78134  2.19853     270         21.2734     90          
1 1 1 22 0  16 o 46.0386 4.60372 12.6048      3.0759   12.6048      3.0759   52.1301     180         1.03394     8.65127e-06 
1 1 1 22 0  17 o 30.8398 6.98868 6.92435      2.92607  6.92435      2.92607  36.2212     90          1.99033     90          
1 1 1 22 0  18 o 51.8168 4.00482 15.5741      3.0986   15.5741      3.0986   58.694      360         0.882599    180         
1 1 1 22 0  19 o 21.8058 7.37628 4.19257      2.84443  4.19257      2.84443  13.6264     270         22.4345     90          
1 1 1 22 0  20 o 21.4768 7.40456 4.12696      2.88368  4.12696      2.88368  23.839      1.11018e-06 0.657867    180         
1 1 1 22 0  21 o 17.7684 6.99557 2.77324      2.83828  2.77324      2.83828  18.382      90          0.458973    270         
1 1 1 22 0  22 o 14.4954 6.25624 1.37729      2.64171  1.37729      2.64171  10.5384     360         2.91805     180         
1 1 1 22 0  23 f 14.9227 6.37049 1.59677      2.67585  1.59677      2.67585  10.0113     90          0           0           
1 1 1 22 0  24 o 14.0246 6.1338  1.18692      2.61839  1.18692      2.61839  5.84598     180         0.481408    8.64974e-06 
1 1 1 22 0  25 o 11.3068 5.34868 -0.5185      2.57578  -0.5185      2.57578  0.0253687   269.996     0.0433441   89.9964     
1 1 1 22 0  26 o 11.5383 5.41858 -0.293302    2.56208  -0.293302    2.56208  2.33856     180         13.117      8.65136e-06 
1 1 1 22 0  27 o 17.0097 6.95898 2.58236      2.95933  2.58236      2.95933  8.67324     90          20.0477     270         
1 1 1 22 0  28 o 17.2122 6.93471 2.74947      2.87332  2.74947      2.87332  16.1122     0           5.93775     0           
1 1 1 22 0  29 o 22.0632 7.24102 4.53632      2.72365  4.53632      2.72365  24.0675     270         1.01884     90          
1 1 1 22 0  30 o 16.1859 6.7505  2.40205      2.87435  2.40205      2.87435  12.7931     180         6.28447     180         
1 1 1 22 0  31 o 21.5257 7.77274 4.80008      3.24854  4.80008      3.24854  27.2881     270         7.02219     270         
1 1 1 22 0  32 o 21.6844 7.82917 4.94395      3.29565  4.94395      3.29565  27.498      360         7.04367     360         
1 1 1 22 0  33 o 17.0152 6.80029 2.92614      2.73294  2.92614      2.73294  6.0865      270         25.6845     90          
1 1 1 22 0  34 o 16.5112 6.69106 2.76692      2.69713  2.76692      2.69713  17.8863     0           5.26015     0           
1 1 1 22 0  35 o 13.347  5.98824 1.22936      2.67014  1.22936      2.67014  7.38772     270         13.7507     90          
1 1 1 22 0  36 o 17.1449 7.72632 3.2166       4.50353  3.2166       4.50353  20.4452     0           4.78644     0           
1 1 1 22 0  37 o 12.8266 6.17474 -0.0932567   3.73523  -0.0932567   3.73523  11.4032     90          3.41233     90          
1 1 1 22 0  38 o 12.8379 5.98596 0.804212     3.03785  0.804212     3.03785  3.69007     360         1.62086     360         
1 1 1 22 0  39 o 24.5561 7.42482 6.02893      2.86414  6.02893      2.86414  27.8932     90          1.71637     90          
1 1 1 22 0  40 o 42.3278 6.71029 13.6902      3.81849  13.6902      3.81849  77.5531     0           62.0981     0           
1 1 1 22 0  41 o 20.2886 7.44644 4.91551      3.01311  4.91551      3.01311  19.6817     90          4.82195     270         
1 1 1 22 0  42 o 8.27508 4.30346 -8.31754     3.79985  -8.31754     3.79985  1.35096     180         9.13567     180         
1 1 1 22 0  43 o 11.8389 5.56609 0.603959     2.71638  0.603959     2.71638  4.41989     270         3.88157     90          
1 1 1 22 0  44 o 12.942  5.9304  1.58888      2.79833  1.58888      2.79833  7.95675     360         0.870246    360         
1 1 1 22 0  45 o 9.36027 4.67358 -1.61697     2.71341  -1.61697     2.71341  4.31911     90          6.16074     270         
1 1 1 22 0  46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 1  0  o 46.944  4.67622 13.0008      3.18763  13.0008      3.18763  54.3112     180         0.4645      180         
1 1 1 22 1  1  o 23.7204 5.60155 5.82847      2.84951  -1.0787      2.89248  23.3167     7.34164     10.7578     7.34163     
1 1 1 22 1  2  o 50.7559 4.27633 16.2141      3.29141  13.6025      3.24092  73.038      338.286     33.7197     338.286     
1 1 1 22 1  3  o 25.1723 6.08743 2.30287      2.95483  4.76535      2.87997  15.9126     131.039     20.273      311.039     
1 1 1 22 1  4  o 21.199  5.86372 2.84976      2.79557  0.628615     2.90005  8.8208      277.49      4.22579     277.49      
1 1 1 22 1  5  o 43.3509 4.95535 8.62884      3.11177  13.9225      3.16688  43.0267     295.099     10.2699     115.099     
1 1 1 22 1  6  f 33.914  5.77557 6.79501      2.96294  7.38188      2.99923  29.3457     202.453     0           0           
1 1 1 22 1  7  o 25.3269 5.83577 5.97353      2.88286  0.960668     2.87855  25.3291     63.2242     1.16311     63.2242     
1 1 1 22 1  8  f 52.083  4.17295 18.2577      3.31881  13.2962      3.19575  77.3619     244.928     0           0           
1 1 1 22 1  9  o 26.4565 6.10671 3.3956       2.8957   4.99326      2.88482  28.9158     252.992     6.57033     252.992     
1 1 1 22 1  10 o 40.5717 5.286   9.11525      3.24844  10.8468      3.09408  49.8822     223.67      11.2866     223.67      
1 1 1 22 1  11 o 35.0869 5.51829 5.04081      2.96468  10.3634      2.96095  28.6053     274.977     19.5485     94.9766     
1 1 1 22 1  12 o 33.5385 5.51404 10.2598      2.93553  3.88724      2.92367  30.6776     127.421     11.2877     307.421     
1 1 1 22 1  13 o 22.6201 5.89172 1.45192      2.78043  3.75969      2.76939  20.2536     286.085     2.67205     106.085     
1 1 1 22 1  14 o 38.3824 5.35527 8.31586      2.9416   9.77363      3.16676  41.0835     347.949     1.80003     167.949     
1 1 1 22 1  15 o 34.8453 5.52683 7.86503      2.89449  7.23604      2.89172  47.3934     225.212     21.3836     225.212     
1 1 1 22 1  16 o 46.0057 4.5852  10.0079      3.07206  15.4044      3.11402  52.4349     90.3881     2.40045     90.3881     
1 1 1 22 1  17 o 16.2688 5.1404  -1.01707     2.61519  -0.151862    2.66076  11.9665     340.348     0.224272    160.348     
1 1 1 22 1  18 o 17.1851 5.33026 -0.410053    2.75531  0.27351      2.66697  14.3592     90.5052     4.70108     90.5052     
1 1 1 22 1  19 o 48.032  4.3769  14.2254      3.18676  13.2672      3.13554  55.1586     61.0884     2.76409     61.0884     
1 1 1 22 1  20 o 23.3435 5.30324 6.25271      2.68169  -1.10064     2.67079  22.0878     274.654     4.25096     94.6542     
1 1 1 22 1  21 o 33.093  5.54239 5.08357      2.82387  9.18656      2.85419  33.1379     351.003     5.59787     171.003     
1 1 1 22 1  22 o 17.3781 5.3368  0.693152     2.63883  -0.0461605   2.6831   9.9154      231.701     13.3365     51.7011     
1 1 1 22 1  23 o 27.6211 6.07061 4.89479      2.80065  5.36792      2.90902  35.433      51.5813     16.8856     51.5813     
1 1 1 22 1  24 o 16.8954 5.27298 0.827691     2.74334  -0.919994    2.68057  12.5299     279.75      1.1055      99.7502     
1 1 1 22 1  25 o 24.4492 6.04866 4.1558       2.91109  3.6455       2.70412  21.7425     188.843     6.18093     8.84303     
1 1 1 22 1  26 o 22.1887 5.65245 -0.885893    3.00475  5.3662       2.79627  20.9706     238.573     1.10109     58.573      
1 1 1 22 1  27 o 29.4949 5.54614 1.57996      3.05045  10.0294      3.01954  36.7738     167.756     12.9844     167.756     
1 1 1 22 1  28 o 20.068  5.84471 1.40997      2.86997  2.58303      2.98089  9.66005     229.781     21.3471     49.7805     
1 1 1 22 1  29 o 23.664  5.73882 1.62789      2.77355  5.79102      2.71216  17.7516     196.697     13.5873     16.6969     
1 1 1 22 1  30 o 31.2052 5.71694 9.53613      2.92004  4.6796       2.8901   32.6616     130.229     1.30857     310.229     
1 1 1 22 1  31 o 20.8172 6.07787 2.96642      3.2219   2.48727      3.10177  15.1072     211.564     12.344      31.5639     
1 1 1 22 1  32 o 19.4096 5.83416 3.35592      3.09852  0.102115     3.22628  21.159      23.2422     6.79188     23.2422     
1 1 1 22 1  33 o 13.8863 4.61598 0.241384     2.50305  -4.70642     2.87568  7.70694     37.2673     2.21002     37.2673     
1 1 1 22 1  34 o 15.4454 5.00911 0.375136     2.57236  -0.989343    2.89293  11.1845     334.374     3.40634     334.374     
1 1 1 22 1  35 o 23.9728 6.52258 5.56344      3.30421  4.4995       3.54744  23.3025     67.9921     2.14667     247.992     
1 1 1 22 1  36 o 17.8625 5.53307 -1.48659     3.09694  3.61895      3.10157  14.5521     348.468     6.32818     168.468     
1 1 1 22 1  37 o 20.6612 5.83079 3.89799      2.76281  3.01578      2.86471  20.1279     128.38      1.17205     308.38      
1 1 1 22 1  38 o 17.604  5.6129  2.56746      3.30255  0.427681     3.17504  18.212      26.5685     8.75277     26.5685     
1 1 1 22 1  39 o 14.5183 4.93542 0.194061     3.05481  -4.64377     3.72536  7.33861     194.67      12.9594     14.6698     
1 1 1 22 1  40 o 25.3547 6.25356 4.61425      3.21643  8.06868      3.10557  32.2586     83.9583     14.7987     83.9583     
1 1 1 22 1  41 o 17.228  5.32443 4.04752      2.83444  -2.10417     3.21444  15.9918     335.247     5.94081     335.247     
1 1 1 22 1  42 o 30.6531 6.00997 5.94686      3.37366  11.63        3.10674  41.1904     111.363     22.7691     111.363     
1 1 1 22 1  43 o 17.4759 5.53769 3.21374      3.33383  1.32057      2.79545  10.212      296.42      4.62451     296.42      
1 1 1 22 1  44 o 14.7147 4.92612 2.10818      3.18158  -1.39881     2.70281  9.41748     122.377     6.672       302.377     
1 1 1 22 1  45 o 14.1431 4.72615 1.62515      2.79947  -1.62307     2.67672  12.0969     99.3802     0.915431    99.3802     
1 1 1 22 1  46 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 2  0  o 81.7146 3.00825 37.0861      3.76177  37.0861      3.76177  63.2066     360         61.7277     180         
1 1 1 22 2  1  o 51.477  4.30394 19.0116      3.29592  11.9992      3.23361  48.3652     264.17      19.1568     84.1704     
1 1 1 22 2  2  o 49.5141 4.32742 13.3965      3.21688  15.0267      3.23153  62.0442     82.4753     13.8015     82.4753     
1 1 1 22 2  3  o 46.0305 4.65802 13.1121      3.18378  11.7361      3.21907  34.0487     176.526     35.2389     356.526     
1 1 1 22 2  4  o 34.3308 5.69327 5.38937      3.03832  9.15744      2.96773  33.1068     232.421     7.94367     52.421      
1 1 1 22 2  5  o 26.063  6.14703 3.10366      2.95914  4.83463      2.90421  28.282      341.642     7.28991     341.642     
1 1 1 22 2  6  o 35.986  5.65052 7.13208      3.05612  8.76999      3.05176  34.7337     297.02      8.82017     117.02      
1 1 1 22 2  7  o 68.7658 3.47318 23.8189      3.53823  29.8859      3.75232  109.899     251.7       65.371      251.7       
1 1 1 22 2  8  o 72.9722 3.25473 30.7269      3.63672  29.3052      3.63883  70.5002     329.873     25.0346     149.873     
1 1 1 22 2  9  o 23.8093 6.06198 2.31831      2.84832  3.8655       2.88639  21.0326     296.56      4.34203     116.56      
1 1 1 22 2  10 o 19.0821 5.49949 2.85742      2.80301  -1.94612     2.75495  8.29152     195.264     20.2357     15.2644     
1 1 1 22 2  11 o 46.8877 4.45835 11.5802      3.13708  14.3         3.09484  72.3454     293.586     42.7892     293.586     
1 1 1 22 2  12 o 35.0604 5.60251 9.9108       3.00324  5.48259      2.99143  35.4715     170.5       4.9767      350.5       
1 1 1 22 2  13 o 36.5788 5.38988 7.54928      2.91583  8.91         2.96078  37.174      187.429     5.37701     7.42916     
1 1 1 22 2  14 o 62.9487 3.6719  29.0608      3.45824  17.0707      3.39157  75.2763     168.179     8.60454     168.179     
1 1 1 22 2  15 f 21.1762 5.92182 1.76815      2.7588   2.1685       2.95977  15.8739     100.845     0           0           
1 1 1 22 2  16 o 27.616  6.3353  4.94356      3.35804  4.67142      2.81362  36.2679     329.559     21.2537     329.559     
1 1 1 22 2  17 f 50.1629 4.18364 15.9227      3.11032  13.675       3.19808  58.2655     212.326     0           0           
1 1 1 22 2  18 o 22.7578 5.96018 3.07175      2.79263  2.68793      2.75469  24.5475     79.3425     3.81354     79.3425     
1 1 1 22 2  19 o 17.6481 5.42473 -0.165693    2.8733   0.57122      2.64163  13.8408     152.496     6.86119     152.496     
1 1 1 22 2  20 o 28.8939 5.54313 1.74625      2.98297  8.63398      2.81956  23.1445     23.5656     16.2452     203.566     
1 1 1 22 2  21 o 56.0979 3.92446 19.3855      3.44786  17.7477      3.24461  74.0528     359.792     22.7795     359.792     
1 1 1 22 2  22 o 18.2537 5.38823 2.52841      2.7193   -1.31095     2.62888  14.1931     292.364     5.1481      112.364     
1 1 1 22 2  23 o 30.2392 5.52262 3.26151      2.74576  8.87428      2.81074  29.1877     29.7541     6.09707     209.754     
1 1 1 22 2  24 o 46.8228 4.50548 10.0134      3.02607  17.2341      3.08582  62.7384     70.4284     22.7082     70.4284     
1 1 1 22 2  25 o 17.232  5.29723 -0.819731    2.58589  1.3667       2.73481  4.94109     20.9377     2.0465      20.9377     
1 1 1 22 2  26 o 28.3473 6.08221 5.06566      2.83657  6.06069      2.94798  28.3298     159.773     2.27722     339.773     
1 1 1 22 2  27 o 22.3659 5.89706 4.92541      2.90956  0.771992     2.95027  24.2521     45.5361     13.2098     45.5361     
1 1 1 22 2  28 o 25.2391 6.29135 3.52501      2.91254  5.61919      3.22067  28.087      183.423     6.12724     183.423     
1 1 1 22 2  29 o 22.8049 5.89955 4.797        2.73999  2.10936      2.89632  15.1134     345.965     16.9742     165.965     
1 1 1 22 2  30 o 17.0635 5.22865 2.72529      2.76716  -2.86712     2.81205  15.9822     278.481     4.63712     278.481     
1 1 1 22 2  31 o 16.155  5.26013 -0.334383    3.00361  -0.542242    3.0395   15.031      144.329     4.50575     144.329     
1 1 1 22 2  32 o 18.3556 5.47894 -3.39219     3.06173  4.13014      3.04022  19.5287     2.42682     9.49541     2.42682     
1 1 1 22 2  33 o 19.9411 6.01474 2.39243      3.42788  2.311        3.08949  13.4522     114.821     13.1911     294.821     
1 1 1 22 2  34 o 21.1308 6.12574 3.23664      3.18708  3.35762      3.17708  15.698      181.476     11.1221     1.47604     
1 1 1 22 2  35 o 25.3052 6.75508 4.21148      3.30922  7.75244      3.94145  33.6271     352.284     21.6315     352.284     
1 1 1 22 2  36 o 19.4937 5.76189 4.77422      3.17741  0.06825      2.9183   23.4098     101.457     13.8413     101.457     
1 1 1 22 2  37 o 14.9394 4.91132 0.224272     2.70025  -0.819839    2.77939  13.8885     325.202     5.19342     325.202     
1 1 1 22 2  38 f 12.6391 4.35851 -3.39399     2.63288  -1.88214     2.84975  9.88268     303.877     0           0           
1 1 1 22 2  39 o 18.0109 5.78891 1.28146      3.17401  2.66791      3.8066   18.4272     94.3725     5.14585     94.3725     
1 1 1 22 2  40 o 16.6529 5.37846 2.17827      3.07467  0.0956168    3.14437  10.2249     329.448     6.27952     329.448     
1 1 1 22 2  41 o 26.6829 6.19865 3.88633      3.56951  10.1881      3.25742  31.3583     115.15      9.73118     115.15      
1 1 1 22 2  42 o 14.7642 4.88502 -0.478421    2.76492  0.461231     2.78491  7.33182     269.795     0.00357439  89.7949     
1 1 1 22 2  43 o 14.6239 4.84798 0.915282     2.74148  -0.974235    2.81398  4.69394     199.789     1.11802     199.789     
1 1 1 22 2  44 o 13.876  4.69951 -0.565624    3.0526   -0.179126    2.69481  6.97592     322.066     2.07127     322.066     
1 1 1 22 2  45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 3  0  o 8.86157 4.46841 -3.75648     2.70518  -3.75648     2.70518  1.25421     360         4.69768     360         
1 1 1 22 3  1  o 16.6669 5.28897 -1.03445     2.80595  -0.707293    2.83315  3.79468     15.3719     0.292705    195.372     
1 1 1 22 3  2  o 41.2644 5.1085  9.50632      3.10712  10.8485      3.14339  38.4297     269.479     14.4918     89.4787     
1 1 1 22 3  3  o 19.1456 5.64634 -0.52634     2.85423  1.81643      2.81283  13.499      175.859     0.884406    355.859     
1 1 1 22 3  4  o 23.8575 6.10904 3.57821      2.91635  2.55178      2.88345  18.0786     45.9361     11.4199     225.936     
1 1 1 22 3  5  o 20.8151 5.79987 2.91195      2.84147  0.272274     2.79616  7.87251     38.8585     25.9759     218.858     
1 1 1 22 3  6  o 17.7788 5.53651 -0.135347    2.84749  -0.488225    3.04613  10.5719     239.257     2.11942     59.2569     
1 1 1 22 3  7  o 39.7698 5.21872 9.59001      3.10064  9.48805      3.05608  32.5106     221.749     23.0166     41.7494     
1 1 1 22 3  8  o 51.0721 4.13413 15.0519      3.20169  15.1596      3.18368  64.0948     273.197     14.3015     273.197     
1 1 1 22 3  9  o 55.6179 4.20059 14.363       3.57097  21.8318      3.25999  61.064      316.049     2.90551     136.049     
1 1 1 22 3  10 o 20.3112 5.73174 0.228371     2.80537  2.63455      2.75469  12.6572     147.35      5.24709     147.35      
1 1 1 22 3  11 o 48.1174 4.5775  13.3209      3.40065  13.9753      3.19696  49.1664     308.002     9.11372     128.002     
1 1 1 22 3  12 o 29.5968 6.07756 6.45246      2.9178   4.53247      3.02527  19.0727     318.98      25.4451     138.98      
1 1 1 22 3  13 o 65.3324 3.45138 23.1745      3.46931  25.4405      3.41497  93.5552     337.009     40.3302     337.009     
1 1 1 22 3  14 o 20.0882 5.65469 2.75058      2.71904  0.118264     2.70539  17.4328     296.088     0.821827    116.088     
1 1 1 22 3  15 o 52.7754 4.36503 15.8209      3.66867  16.9275      3.24699  65.1194     301.084     12.2203     301.084     
1 1 1 22 3  16 o 27.7861 6.02404 3.82732      2.92001  5.88327      2.82575  37.2993     359.399     21.179      359.399     
1 1 1 22 3  17 o 50.6468 4.32657 15.6965      3.37437  14.6396      3.2379   58.701      59.6223     3.9614      59.6223     
1 1 1 22 3  18 o 27.3346 6.00574 3.11234      2.98402  6.26274      2.84292  32.2874     149.544     7.4318      149.544     
1 1 1 22 3  19 o 34.2549 5.53329 5.51675      2.91318  9.58836      2.88297  38.7476     329.413     2.97095     329.413     
1 1 1 22 3  20 o 20.3931 5.84029 1.0903       2.66788  2.48819      3.04665  11.4326     335.69      18.9492     155.69      
1 1 1 22 3  21 o 19.1814 5.53572 0.114924     2.613    2.482        2.68711  16.4944     357.963     2.86659     177.963     
1 1 1 22 3  22 o 23.7242 5.97478 2.79114      2.73583  4.21701      2.808    14.2288     139.421     10.3783     139.421     
1 1 1 22 3  23 o 29.3585 5.91045 4.90021      2.80771  6.70979      2.84366  26.6084     53.1416     9.04626     233.142     
1 1 1 22 3  24 o 15.1422 4.9218  -1.03272     2.52616  -1.19979     2.73064  6.5573      107.949     0.379343    107.949     
1 1 1 22 3  25 o 18.1967 5.46688 -0.160403    2.69886  1.7936       2.72948  13.4709     19.7198     5.784       199.72      
1 1 1 22 3  26 o 23.851  6.03132 2.85861      2.90772  4.52268      2.79277  24.6318     260.512     2.65928     260.512     
1 1 1 22 3  27 o 23.6632 5.91161 6.36553      3.04997  -0.1177      3.18784  26.5824     228.925     8.01713     228.925     
1 1 1 22 3  28 f 28.8866 6.14295 6.42104      2.97879  5.74069      2.93511  4.2308      276.905     0           0           
1 1 1 22 3  29 o 21.4314 5.82832 2.55323      2.72461  3.4249       2.71475  16.8592     273.536     9.58454     93.5364     
1 1 1 22 3  30 o 19.2722 5.48967 -2.58768     3.10767  4.34529      2.80842  15.1924     76.7565     8.00007     256.757     
1 1 1 22 3  31 o 15.7981 5.16262 0.383226     2.94463  -1.95772     3.0343   14.6801     40.4079     4.51445     40.4079     
1 1 1 22 3  32 o 28.7934 6.97789 9.70605      3.64981  3.76277      5.32118  36.8828     258.029     15.459      258.029     
1 1 1 22 3  33 o 18.7198 5.79067 1.89751      3.15811  1.30817      3.19606  14.1961     49.1943     8.03866     229.194     
1 1 1 22 3  34 o 25.0536 6.26962 4.13585      2.85769  6.46157      3.23181  27.5807     330.644     4.7015      330.644     
1 1 1 22 3  35 o 18.5644 5.55864 2.37527      2.79819  1.82724      2.6968   18.4138     74.997      1.48829     74.997      
1 1 1 22 3  36 o 16.4859 5.28139 0.616124     3.18696  0.801224     2.60645  10.21       184.784     6.87805     184.784     
1 1 1 22 3  37 o 25.089  6.35886 4.60497      2.96397  7.19149      3.32744  28.1106     128.969     5.18348     128.969     
1 1 1 22 3  38 o 15.6736 5.03581 -1.01492     2.70292  1.81333      2.71668  14.5549     60.1628     2.73066     60.1628     
1 1 1 22 3  39 o 15.2824 5.03772 -0.497585    3.12782  0.507514     2.72545  12.6889     189.478     1.75841     9.4776      
1 1 1 22 3  40 o 19.9583 5.9723  4.90488      3.16482  2.08392      3.40398  20.7963     152.728     3.86639     152.728     
1 1 1 22 3  41 o 20.5117 6.13164 4.63692      3.21478  3.66735      3.5234   21.2503     145.242     10.4636     145.242     
1 1 1 22 3  42 o 18.8912 5.69253 3.79106      2.81011  2.15052      3.15777  15.5996     190.757     5.23        190.757     
1 1 1 22 3  43 o 15.6317 5.11296 -0.671646    2.70944  2.4074       3.09893  7.50451     82.9757     2.6722      82.9757     
1 1 1 22 3  44 o 16.9275 5.18559 -1.81999     2.77262  5.10655      2.83758  16.1294     273.467     6.05523     273.467     
1 1 1 22 3  45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 4  0  o 40.4065 5.64933 10.1843      3.12494  10.1843      3.12494  25.7717     3.82503e-06 41.2368     180         
1 1 1 22 4  1  o 21.6208 5.96997 2.05387      2.81768  2.04337      2.93169  11.6385     227.776     19.6056     47.7762     
1 1 1 22 4  2  o 26.3132 5.85223 6.83386      2.96478  0.424605     3.14202  24.8356     305.478     16.4371     305.478     
1 1 1 22 4  3  o 34.8276 5.54653 4.33066      3.0098   10.8231      3.00739  36.8707     237.265     1.13875     57.2649     
1 1 1 22 4  4  o 27.5302 5.6698  7.70167      2.95058  0.936318     2.90795  9.64968     97.0062     39.9882     277.006     
1 1 1 22 4  5  o 20.5226 5.76747 3.08841      2.86466  -0.567938    2.90159  16.8491     66.8551     0.204935    246.855     
1 1 1 22 4  6  o 26.002  6.06864 1.81708      2.85424  6.0148       3.1076   20.7875     6.3899      14.1502     6.3899      
1 1 1 22 4  7  o 32.8273 5.77438 4.9562       2.97564  8.50435      2.95585  24.7909     283.139     21.5921     103.139     
1 1 1 22 4  8  o 33.1418 5.89756 4.25832      3.00638  9.66336      3.24721  32.9719     53.3806     4.9711      233.381     
1 1 1 22 4  9  o 58.6146 3.75259 21.0594      3.35162  18.3541      3.3355   55.8238     17.6711     20.573      197.671     
1 1 1 22 4  10 o 17.4023 5.39201 -0.341763    2.76749  0.0562348    2.75824  10.2706     219.224     0.682888    39.2242     
1 1 1 22 4  11 o 18.2162 5.53159 1.30098      2.92375  -0.855531    2.72979  11.422      301.592     8.85925     121.592     
1 1 1 22 4  12 o 22.5159 5.82512 4.53259      2.92931  0.349546     2.70628  17.6731     132.015     9.08091     312.015     
1 1 1 22 4  13 o 16.3402 5.22124 -0.494543    2.86061  -1.44035     2.75148  8.66639     306.74      10.1748     126.74      
1 1 1 22 4  14 o 21.57   5.79164 0.346586     2.75704  3.77728      2.82797  20.3243     40.5614     0.123261    220.561     
1 1 1 22 4  15 o 46.4008 4.83158 10.8654      3.42208  15.1306      3.11487  39.6044     188.12      24.5697     8.11974     
1 1 1 22 4  16 o 21.5402 5.96441 3.221        2.81614  0.675922     3.15041  9.63871     149.052     25.7887     329.052     
1 1 1 22 4  17 o 21.8836 5.90274 0.9934       2.76889  3.71088      2.91863  23.2286     354.966     3.48047     354.966     
1 1 1 22 4  18 o 49.635  4.21711 15.7742      3.19196  13.4734      3.11206  61.8622     33.2804     12.9199     33.2804     
1 1 1 22 4  19 o 24.1028 6.01176 3.60755      2.77292  3.52826      2.7817   25.8756     236.893     3.11923     236.893     
1 1 1 22 4  20 o 46.1284 4.85154 17.0449      3.10688  9.52225      3.27105  56.942      93.0454     11.9141     93.0454     
1 1 1 22 4  21 o 26.514  6.00405 5.93099      2.83152  3.21392      2.89412  21.7367     22.9651     12.2552     202.965     
1 1 1 22 4  22 o 34.7181 5.68323 8.00939      2.94487  7.85349      3.01216  31.9385     81.4727     11.3752     261.473     
1 1 1 22 4  23 o 28.475  5.99685 5.33774      2.82362  5.62794      2.82855  32.3614     316.542     6.27703     316.542     
1 1 1 22 4  24 o 18.5613 5.47006 0.232685     2.65593  1.99158      2.61715  14.3038     83.5089     5.02926     263.509     
1 1 1 22 4  25 o 36.0364 5.40416 6.52303      2.91858  10.6645      2.92353  40.325      333.282     3.26165     333.282     
1 1 1 22 4  26 o 28.4893 6.06239 4.83456      2.90619  6.54256      2.90334  38.4609     129.061     23.0815     129.061     
1 1 1 22 4  27 o 15.6413 5.08786 -1.79613     2.86162  -0.178468    2.81371  9.79757     260.365     7.00068     80.3645     
1 1 1 22 4  28 o 21.6848 5.83272 4.50839      2.83738  1.23545      2.80945  13.0651     125.879     18.3317     305.879     
1 1 1 22 4  29 o 24.2759 5.94134 5.9031       2.74919  2.18353      3.12863  25.3312     323.244     1.4368      323.244     
1 1 1 22 4  30 o 17.3051 5.64002 1.80542      3.7387   -3.00781     3.34     15.9017     299.405     7.06252     299.405     
1 1 1 22 4  31 o 27.3474 7.23375 5.00307      4.13545  8.34568      4.23862  33.5198     294.903     11.9533     294.903     
1 1 1 22 4  32 o 17.2311 5.51066 -1.33642     3.01813  1.90097      3.31557  6.46297     306.332     3.96214     306.332     
1 1 1 22 4  33 o 17.7977 5.40481 0.994888     2.63391  1.93682      2.7053   14.4648     60.9593     4.52382     240.959     
1 1 1 22 4  34 o 18.1658 5.40717 3.47564      2.7571   -0.454177    2.69163  7.24866     207.99      22.4046     27.99       
1 1 1 22 4  35 o 32.1443 6.07493 7.27189      3.13339  9.73351      3.08034  38.1562     59.7053     8.33051     59.7052     
1 1 1 22 4  36 o 20.8984 6.03356 3.01933      3.39536  4.04287      2.86948  19.7426     175.195     2.54554     355.195     
1 1 1 22 4  37 o 18.8871 5.47452 -0.162751    2.76434  4.55519      2.7723   19.6046     351.601     12.9049     351.601     
1 1 1 22 4  38 o 15.8898 5.02255 -2.25907     2.68466  2.80461      2.7067   14.9534     334.057     5.89281     334.057     
1 1 1 22 4  39 o 24.7321 6.14487 5.69041      2.92526  5.98796      2.87878  33.3097     28.4895     21.4186     28.4895     
1 1 1 22 4  40 o 15.962  5.09603 1.41088      2.67696  0.722925     2.65438  3.04835     229.938     1.83251     229.938     
1 1 1 22 4  41 o 15.9186 5.11452 0.719789     2.75329  1.31621      2.72101  10.4524     150.613     2.99126     150.613     
1 1 1 22 4  42 o 14.5012 4.86443 -4.67172     3.01998  2.01675      3.07401  7.7443      304.528     2.22869     124.528     
1 1 1 22 4  43 o 14.7255 4.90962 2.77738      3.04818  -4.66985     3.13215  7.78275     278.384     2.06165     278.384     
1 1 1 22 4  44 o 13.2903 4.53155 0.150142     2.77273  -1.97715     2.79944  8.50896     24.4323     2.09565     24.4323     
1 1 1 22 4  45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 5  0  o 13.6657 6.1656  0.483859     2.87794  0.483859     2.87794  0.402372    8.65161e-06 27.4835     8.65158e-06 
1 1 1 22 5  1  o 21.452  5.92972 2.49234      2.83939  1.49878      2.86558  12.4808     242.956     6.07659     242.956     
1 1 1 22 5  2  o 29.1647 5.51784 9.03348      2.97405  0.865323     2.98458  28.2268     356.414     4.51164     176.414     
1 1 1 22 5  3  o 29.7697 5.83875 8.14165      2.98633  2.69277      3.00197  25.649      186.658     11.6868     6.65751     
1 1 1 22 5  4  o 18.7053 5.52328 2.3352       2.82215  -1.9878      2.86671  12.0948     101.297     7.98845     281.297     
1 1 1 22 5  5  o 81.0326 3.04293 38.268       3.79751  35.5131      3.76612  98.772      11.0291     13.7921     11.0291     
1 1 1 22 5  6  o 42.3391 4.9543  10.37        3.10653  11.09        3.12605  44.8326     312.947     3.66518     132.947     
1 1 1 22 5  7  f 70.7257 3.40402 28.3954      3.81583  28.3224      3.54905  66.6393     121.221     0           0           
1 1 1 22 5  8  o 64.1799 3.7984  24.9276      3.98734  22.3365      3.45234  72.1043     0.181559    0.444567    180.182     
1 1 1 22 5  9  o 26.7672 6.31892 5.6683       3.32455  3.08613      2.86402  28.138      181.644     18.549      181.644     
1 1 1 22 5  10 o 29.5669 5.98114 4.7311       2.90927  6.24533      2.85609  32.6375     331.367     4.36661     331.367     
1 1 1 22 5  11 o 26.8004 5.89509 6.65105      2.94462  1.89361      2.87227  12.0061     259.465     33.2654     79.4649     
1 1 1 22 5  12 o 43.6704 4.96056 13.3855      3.14814  9.69699      3.22089  35.6913     91.701      25.7926     271.701     
1 1 1 22 5  13 o 44.4724 4.95412 10.2435      3.36343  13.6779      3.08882  43.3403     139.228     12.1416     319.228     
1 1 1 22 5  14 o 34.259  5.73267 8.91961      3.01524  5.9773       2.99239  24.7859     328.776     25.5928     148.776     
1 1 1 22 5  15 o 36.7707 5.52424 6.40178      2.9724   10.7349      3.12612  37.1834     75.1857     6.29702     255.186     
1 1 1 22 5  16 o 18.2233 5.55291 1.0675       2.7861   -0.414027    2.93007  8.67429     47.0035     19.5854     227.004     
1 1 1 22 5  17 o 36.512  5.72773 8.37748      2.92489  8.66248      3.34718  42.5883     356.969     5.50739     356.969     
1 1 1 22 5  18 o 33.9034 5.78354 6.158        2.92548  8.82027      3.0846   31.558      163.754     10.8048     343.754     
1 1 1 22 5  19 o 61.0812 3.61323 24.7095      3.37706  18.8896      3.31069  71.2254     84.6776     5.58358     84.6776     
1 1 1 22 5  20 o 17.148  5.15314 2.39159      2.64805  -3.13587     2.63326  2.00681     223.045     39.1962     223.045     
1 1 1 22 5  21 o 23.1892 5.945   3.91867      2.73209  2.63113      2.79164  23.404      124.918     1.62748     124.918     
1 1 1 22 5  22 o 38.9378 5.27674 9.69698      2.94942  9.73558      3.14609  52.2234     51.0501     20.9521     51.0502     
1 1 1 22 5  23 o 20.7991 5.63112 0.0423729    2.67002  4.0325       2.7428   17.7951     323.866     4.24464     143.866     
1 1 1 22 5  24 o 43.551  4.69142 11.5753      3.05822  12.0415      3.03382  43.5319     98.7056     8.51968     278.706     
1 1 1 22 5  25 o 31.4565 6.0638  3.65611      2.97137  10.4599      3.48575  32.3857     220.83      1.58962     40.8303     
1 1 1 22 5  26 o 20.9449 6.00064 2.79581      2.80261  1.78846      3.29441  20.9728     232.569     4.47352     232.569     
1 1 1 22 5  27 o 20.4507 5.91383 1.12184      2.97911  3.21552      3.02717  20.8911     188.945     6.19149     188.945     
1 1 1 22 5  28 o 16.6483 5.19808 -2.30155     2.81954  1.91748      2.72312  14.0535     213.737     2.99701     213.737     
1 1 1 22 5  29 o 17.5072 5.50853 1.10914      3.04561  0.0429767    2.94525  3.82473     325.82      28.0289     145.821     
1 1 1 22 5  30 o 30.9587 7.02204 7.53561      4.09926  8.78175      3.6048   41.6909     238.03      19.9763     238.03      
1 1 1 22 5  31 o 25.9751 6.36487 2.91319      3.33346  7.72019      3.34051  31.3535     185.904     10.3536     185.904     
1 1 1 22 5  32 o 20.5045 5.88055 2.04994      2.85688  3.58943      2.97265  15.6419     333.633     9.79948     153.633     
1 1 1 22 5  33 o 21.7201 6.1091  4.77303      3.38798  2.62396      2.72982  24.9577     195.27      14.1942     195.27      
1 1 1 22 5  34 o 19.4043 5.59984 4.54795      2.88508  -0.410531    2.89497  21.1198     329.832     6.28466     329.832     
1 1 1 22 5  35 o 14.6418 4.77296 1.2306       2.57517  -2.77296     2.64308  14.0071     336.097     4.05956     336.097     
1 1 1 22 5  36 f 15.4142 4.9753  1.5213       2.68102  -1.49112     2.70817  9.70138     127.228     0           0           
1 1 1 22 5  37 o 19.9749 5.78228 1.30049      3.04807  4.78316      2.92217  23.0694     9.75245     9.98724     9.75245     
1 1 1 22 5  38 o 17.2639 5.26364 -1.04235     2.82602  3.59031      2.69539  5.10032     14.1137     3.49681     14.1137     
1 1 1 22 5  39 o 28.8424 6.18181 7.65058      3.00897  7.77844      2.95859  34.9188     108.439     10.8193     108.439     
1 1 1 22 5  40 o 16.2062 5.21765 1.40268      2.79295  0.825074     2.94851  13.3445     145.95      4.63245     145.95      
1 1 1 22 5  41 f 17.116  5.34991 0.792385     2.7681   2.82405      2.84189  7.60934     271.211     0           0           
1 1 1 22 5  42 o 15.8098 5.09402 0.407657     2.74047  1.68743      2.75498  10.591      158.758     1.2804      158.758     
1 1 1 22 5  43 o 12.7755 4.43119 -1.47028     2.95097  -2.79284     3.0142   7.10384     301.793     1.8973      121.793     
1 1 1 22 5  44 o 16.3553 5.37512 0.555856     3.13695  3.25975      3.40324  15.8245     249.565     4.44822     249.565     
1 1 1 22 5  45 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 6  0  o 11.9744 5.65242 -0.688466    2.84981  -0.688466    2.84981  0.440376    360         2.11829     180         
1 1 1 22 6  1  o 41.5716 5.04478 9.35786      3.09466  11.4537      3.11487  55.5022     107.231     21.1148     107.231     
1 1 1 22 6  2  o 35.2478 5.73021 7.12418      3.03576  8.31987      3.0609   32.5027     319.769     11.3124     139.769     
1 1 1 22 6  3  o 53.9865 4.20531 15.72        3.5201   18.17        3.31154  69.591      66.7307     19.0253     66.7307     
1 1 1 22 6  4  o 38.2311 6.02706 10.2226      3.78204  8.15383      3.14163  39.7268     7.62988     3.53151     187.63      
1 1 1 22 6  5  f 21.878  6.12762 2.85153      3.24532  1.24245      2.91873  12.0483     328.479     0           0           
1 1 1 22 6  6  o 63.2954 3.71044 21.2246      3.67253  24.6782      3.4516   90.144      330.876     38.7466     330.876     
1 1 1 22 6  7  o 26.0544 6.17168 6.55106      3.35911  1.30667      2.90061  30.1783     192.68      15.1882     192.68      
1 1 1 22 6  8  o 18.9311 5.67421 1.22555      2.96999  0.0692194    2.78142  13.5054     282.802     5.34583     102.802     
1 1 1 22 6  9  o 45.9725 4.75177 13.2777      3.4027   11.913       3.12834  46.7605     12.9934     8.44004     192.993     
1 1 1 22 6  10 o 51.7985 4.36753 20.1832      3.41106  11.8085      3.22869  61.9974     184.946     8.69858     184.946     
1 1 1 22 6  11 f 28.8488 6.40019 6.5062       3.08138  3.85248      3.45657  18.2322     208.427     0           0           
1 1 1 22 6  12 o 30.1214 6.25268 7.94002      3.16163  3.44648      3.40789  26.8391     60.3174     10.573      240.317     
1 1 1 22 6  13 o 36.4164 5.87556 8.47452      3.1848   8.35865      3.25911  40.1981     194.171     1.28552     194.171     
1 1 1 22 6  14 o 19.7832 5.73949 -0.285133    2.87433  2.53877      2.89782  10.3481     301.31      19.6677     121.31      
1 1 1 22 6  15 o 18.2627 5.53129 -1.39973     2.82639  1.82833      2.91612  17.0358     125.573     0.961227    125.573     
1 1 1 22 6  16 o 24.7378 5.97097 2.57738      2.77725  4.87581      2.80947  28.8509     242.758     7.89064     242.758     
1 1 1 22 6  17 o 22.0708 5.71594 4.67481      2.80234  -0.00529043  2.77886  11.8249     247.116     22.5865     67.1163     
1 1 1 22 6  18 o 16.7989 5.25912 -0.351061    2.69509  0.0552279    2.69008  11.0812     261.792     3.96522     261.792     
1 1 1 22 6  19 o 21.295  5.53295 4.86958      2.77662  -1.36844     2.78591  21.489      93.8745     2.78916     93.8745     
1 1 1 22 6  20 f 22.4973 5.94983 3.26578      2.79619  2.69542      2.76229  6.72931     43.4084     0           0           
1 1 1 22 6  21 o 18.2975 5.50337 0.854193     2.73876  0.948104     2.68743  15.3685     84.2444     1.72386     84.2444     
1 1 1 22 6  22 o 27.2636 5.45658 -0.45365     2.80532  9.50521      3.2072   28.9        289.646     1.73406     289.646     
1 1 1 22 6  23 o 23.1079 5.87052 0.0436402    2.73903  5.96564      3.16206  25.7317     71.6538     12.7406     71.6538     
1 1 1 22 6  24 o 33.35   5.80616 8.76814      2.94915  6.36335      3.02924  31.2463     122.057     8.81171     302.057     
1 1 1 22 6  25 o 33.358  5.86588 6.8668       3.00473  8.53397      3.01956  32.8147     122.484     5.56357     302.484     
1 1 1 22 6  26 o 18.945  5.59562 2.34433      2.74923  0.591884     2.77735  1.5195      220.584     0.924537    220.584     
1 1 1 22 6  27 o 17.9946 5.66131 2.38767      3.26201  -2.87592     3.4659   7.35406     108.659     21.006      288.659     
1 1 1 22 6  28 o 19.3863 5.8697  3.13518      3.26862  -0.170564    3.14799  19.6052     155.822     4.52223     155.822     
1 1 1 22 6  29 f 17.6467 5.60385 1.75903      3.40105  -0.729803    2.95286  19.5929     279.831     0           0           
1 1 1 22 6  30 o 19.8652 6.15046 1.00539      4.14211  2.49383      3.20316  20.8758     38.9033     4.62357     38.9033     
1 1 1 22 6  31 o 19.5151 5.83324 0.0924223    3.12367  3.70597      3.14961  21.0195     51.8035     8.08438     51.8035     
1 1 1 22 6  32 o 16.6735 5.26809 0.359884     2.83324  0.866768     2.70526  2.80182     28.7107     1.58223     28.7107     
1 1 1 22 6  33 o 39.8425 5.42453 14.996       3.26803  8.5552       3.12003  48.3164     47.9932     11.0769     47.9932     
1 1 1 22 6  34 o 22.9512 5.98135 5.52938      2.83901  3.18021      2.89344  20.0116     145.271     7.16375     325.271     
1 1 1 22 6  35 o 26.5055 6.11895 5.78627      2.89929  6.41025      2.8563   27.6894     93.1692     0.286544    93.1692     
1 1 1 22 6  36 o 26.7504 6.12779 7.2235       2.91567  5.4971       2.91794  21.4049     74.1596     13.2818     254.16      
1 1 1 22 6  37 o 21.747  5.93114 3.21208      2.90325  5.17435      2.83727  26.8017     92.1172     16.6265     92.1172     
1 1 1 22 6  38 o 15.4288 5.02237 0.800054     2.77235  0.0774145    2.73588  13.8212     241.26      1.78348     241.26      
1 1 1 22 6  39 o 18.4488 5.53711 3.77715      2.78012  1.3313       2.84261  5.22497     286.454     3.73503     286.454     
1 1 1 22 6  40 o 17.6508 5.43142 0.740369     2.82672  3.46015      2.83589  14.8166     167.124     0.992704    347.124     
1 1 1 22 6  41 o 13.4071 4.54322 -0.216191    2.67022  -2.45219     2.7581   3.48986     24.0738     1.0134      204.074     
1 1 1 22 6  42 o 14.2057 4.73754 0.588578     2.70165  -0.950052    2.72026  6.29698     105.35      1.06687     105.35      
1 1 1 22 6  43 o 20.7337 5.904   4.25546      2.92001  5.47883      2.90877  23.5393     266.338     11.2943     266.338     
1 1 1 22 6  44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 7  0  o 30.0268 7.59626 6.87296      3.20725  6.87296      3.20725  17.3922     8.81074e-06 33.6442     180         
1 1 1 22 7  1  o 51.1924 4.57908 17.3758      3.50094  13.5941      3.49969  50.443      160.659     13.2415     340.659     
1 1 1 22 7  2  o 28.9925 6.05507 2.97435      3.1858   7.27996      2.97213  29.9669     44.5807     0.286606    44.5805     
1 1 1 22 7  3  f 21.0833 6.09001 2.38038      3.38582  0.777957     2.88942  38.4707     292.323     0           0           
1 1 1 22 7  4  o 65.0601 3.69352 24.1186      3.77836  24.3279      3.55451  65.9463     154.329     14.4537     334.329     
1 1 1 22 7  5  o 40.1078 5.74813 8.315        3.30977  11.7821      3.55578  40.8005     21.3417     5.96603     201.342     
1 1 1 22 7  6  o 26.655  6.27712 5.70637      3.10592  2.81254      3.11272  24.3591     346.157     5.63752     166.157     
1 1 1 22 7  7  o 33.2219 6.24616 6.32315      3.13519  7.82076      3.37805  39.1536     68.0497     8.63744     68.0497     
1 1 1 22 7  8  o 20.0583 6.00205 1.73778      3.04502  -0.335968    3.48232  14.9298     217.668     7.45899     37.6675     
1 1 1 22 7  9  o 31.4367 5.85668 2.41115      3.0907   10.0923      3.30006  21.7533     173.346     24.5077     353.346     
1 1 1 22 7  10 o 57.1819 4.23365 14.331       3.54262  24.5169      3.53078  58.0742     155.429     11.9429     335.429     
1 1 1 22 7  11 o 14.7189 4.89955 -2.47793     2.88261  -2.45667     2.83836  6.77656     144.116     11.5429     324.116     
1 1 1 22 7  12 o 20.6203 5.77571 -1.05543     2.94054  3.64         2.96763  15.9473     301.798     9.19229     121.798     
1 1 1 22 7  13 o 39.6257 5.4421  9.32513      3.19854  10.2713      3.2021   37.3956     39.5904     12.6438     219.59      
1 1 1 22 7  14 o 31.7183 6.00089 4.21776      3.11978  8.87774      3.12732  33.8896     279.72      0.465383    99.7204     
1 1 1 22 7  15 o 62.6269 4.01096 22.9199      3.59866  23.1273      4.03777  76.6719     19.442      13.1474     19.442      
1 1 1 22 7  16 o 19.4302 5.56469 3.621        2.98053  -2.25001     2.78147  18.6106     7.69981     8.99873     7.69981     
1 1 1 22 7  17 o 50.4534 4.28058 16.9848      3.31831  13.597       3.17588  51.5362     30.7631     9.05177     210.763     
1 1 1 22 7  18 o 28.41   6.02811 4.05063      2.99419  6.63018      2.85532  37.1982     354.239     18.4395     354.239     
1 1 1 22 7  19 o 48.0568 4.72799 12.6505      3.25657  15.9182      3.54105  57.9007     33.2657     10.1562     33.2657     
1 1 1 22 7  20 o 29.6931 6.07528 5.76454      2.88964  6.22288      2.9829   29.2182     57.2326     3.81628     237.233     
1 1 1 22 7  21 o 20.8154 5.821   2.82705      2.73795  1.53876      2.84463  18.5785     8.08725     1.72498     188.087     
1 1 1 22 7  22 o 25.439  6.0084  3.34106      2.78942  5.24169      2.82138  15.2944     117.695     22.5163     297.695     
1 1 1 22 7  23 o 14.6529 4.81177 -1.76724     2.59034  -1.05688     2.63097  7.0182      85.8331     9.36925     265.833     
1 1 1 22 7  24 o 16.0683 5.13038 -1.07689     2.70086  0.202294     2.72357  9.60151     323.479     1.74426     323.479     
1 1 1 22 7  25 o 22.0582 6.16996 4.28761      3.21726  1.43277      3.16293  23.7054     7.13628     8.00319     7.13628     
1 1 1 22 7  26 o 19.081  5.93564 0.147929     3.52248  1.77305      3.29886  17.4739     23.7627     1.35098     23.7627     
1 1 1 22 7  27 o 21.2093 6.37676 2.18238      4.12728  2.73007      3.23266  19.3954     191.552     2.40159     11.5518     
1 1 1 22 7  28 o 14.3158 4.7404  -2.7117      2.75395  -0.332434    2.57596  10.8946     209.809     0.725839    29.8087     
1 1 1 22 7  29 o 29.1341 6.62084 6.21266      3.88064  7.64435      3.09529  41.6021     167.408     25.9053     167.408     
1 1 1 22 7  30 o 37.8157 6.16532 16.3418      3.78571  6.43731      3.77037  50.3019     330.15      20.3723     330.15      
1 1 1 22 7  31 o 16.3577 5.37956 -2.36738     3.5343   0.716629     3.18772  12.0393     170.911     5.54937     350.911     
1 1 1 22 7  32 o 26.0035 6.35568 5.72751      2.9431   5.763        3.26281  24.9145     322.485     3.51158     142.485     
1 1 1 22 7  33 o 20.4981 5.74502 4.26564      2.77885  1.86776      2.75823  20.2741     46.915      14.4504     46.915      
1 1 1 22 7  34 o 21.6149 5.89659 3.56346      2.80334  4.13056      2.76557  13.1547     157.592     18.5751     337.592     
1 1 1 22 7  35 o 19.075  5.60124 1.18019      2.75305  3.88376      2.81292  20.4142     237.802     4.76737     237.802     
1 1 1 22 7  36 o 20.1655 5.64192 0.528367     2.8074   5.51705      2.87913  23.2335     115.503     9.36735     115.503     
1 1 1 22 7  37 o 13.812  4.62715 -1.80482     2.6965   -0.192963    2.59903  1.23569     173.826     0.608278    173.826     
1 1 1 22 7  38 o 23.8132 6.14567 5.66051      2.92401  5.41034      2.93785  30.7895     63.7282     17.7326     63.7282     
1 1 1 22 7  39 o 18.8631 5.63696 2.48723      2.81512  3.47478      2.83582  17.9933     325.626     9.60741     325.626     
1 1 1 22 7  40 o 15.1294 4.8895  2.54598      2.73402  -2.65685     2.64783  6.893       126.137     1.27008     126.137     
1 1 1 22 7  41 o 18.6842 5.60931 2.33352      2.8483   3.68225      2.81787  12.7113     242.069     6.51961     242.069     
1 1 1 22 7  42 o 19.8572 5.72075 5.53308      2.86387  2.59279      2.83437  20.7957     291.966     10.1199     291.966     
1 1 1 22 7  43 o 14.5473 4.83264 0.676572     2.6827   0.429987     2.83997  12.2366     129.447     0.527451    129.447     
1 1 1 22 7  44 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 8  0  o 12.4128 5.85019 -0.630501    3.03212  -0.630501    3.03212  0.015398    180         22.6603     180         
1 1 1 22 8  1  o 46.327  4.9408  15.0987      3.52412  10.8142      3.26718  54.5317     270.762     7.13041     270.762     
1 1 1 22 8  2  o 17.0069 5.39199 0.597787     3.04489  -2.76677     2.95816  10.332      115.113     0.414707    295.113     
1 1 1 22 8  3  o 58.5758 4.41343 21.8203      3.65315  18.4708      4.08817  68.3119     338.853     5.9463      338.853     
1 1 1 22 8  4  o 21.5249 6.32113 1.40712      3.06841  1.65295      3.81915  20.3871     161.829     4.43767     161.829     
1 1 1 22 8  5  o 21.9198 6.33751 1.56616      3.04569  2.1324       3.73202  21.5339     168.115     5.4737      168.115     
1 1 1 22 8  6  o 21.4699 6.03158 -1.05514     3.12105  3.95309      3.28835  16.8392     162.122     8.17653     342.122     
1 1 1 22 8  7  o 24.3765 6.22486 4.91614      3.17399  1.63182      3.03844  19.4731     350.299     10.9388     170.299     
1 1 1 22 8  8  o 44.5406 5.44564 13.4345      3.79762  11.0799      3.4063   53.6988     265.197     9.609       265.197     
1 1 1 22 8  9  o 47.8158 4.74769 11.561       3.35207  16.0026      3.35647  63.4999     236.75      21.64       236.75      
1 1 1 22 8  10 o 24.9042 6.53381 3.43068      3.30027  3.73424      3.36881  27.1663     158.107     4.81607     158.107     
1 1 1 22 8  11 o 36.4662 6.3324  10.2371      3.31187  7.12368      3.86796  49.816      156.164     22.0041     156.164     
1 1 1 22 8  12 o 34.521  6.39509 7.41202      3.74331  8.28761      3.17916  49.1176     268.796     25.8459     268.796     
1 1 1 22 8  13 o 36.2154 5.72018 5.59995      3.15527  11.509       3.20281  42.6315     134.932     6.86134     134.932     
1 1 1 22 8  14 o 15.6265 5.07827 -3.35132     2.87532  -0.0409301   2.86215  10.728      203.588     1.9651      203.588     
1 1 1 22 8  15 o 19.5923 5.87224 0.863924     2.85769  1.33914      3.27502  17.3533     281.365     1.73038     101.365     
1 1 1 22 8  16 o 17.7072 5.43434 1.67908      2.85461  -1.66986     2.85277  13.9023     3.87496     4.36607     3.87496     
1 1 1 22 8  17 o 38.5574 5.55408 13.5155      3.28289  6.20992      3.1406   45.3014     92.6476     7.46775     92.6476     
1 1 1 22 8  18 o 20.8258 5.83153 0.466498     2.87126  3.48426      2.89653  19.1705     179.169     9.57543     179.169     
1 1 1 22 8  19 f 33.3063 5.92048 5.83669      3.08543  9.1479       3.08214  34.4971     5.60478     0           0           
1 1 1 22 8  20 o 54.9177 4.01736 18.7254      3.46658  17.392       3.23115  68.1338     33.198      15.3195     33.198      
1 1 1 22 8  21 o 19.0895 5.52478 3.13748      2.8159   -0.906152    2.67593  15.1821     229.37      4.15538     49.3695     
1 1 1 22 8  22 o 38.2169 5.98876 10.2895      3.41734  9.60275      3.44738  36.776      320.129     8.79117     140.129     
1 1 1 22 8  23 o 18.8966 6.02995 0.805961     4.24083  -0.275677    3.12519  15.0183     331.423     5.61088     331.423     
1 1 1 22 8  24 f 26.2148 6.45586 9.61655      4.11987  -0.328302    3.30394  28.9131     22.3449     0           0           
1 1 1 22 8  25 o 18.0494 5.65818 1.31098      3.20103  -0.157181    3.0725   15.2433     189.711     5.63769     189.711     
1 1 1 22 8  26 o 19.5295 5.71206 4.0325       3.12101  -0.868274    2.8484   15.2335     136.484     7.68735     316.484     
1 1 1 22 8  27 f 22.013  6.02908 3.61221      2.96501  3.16655      2.8625   14.1021     49.2873     0           0           
1 1 1 22 8  28 o 28.311  6.57687 7.87369      3.80946  5.36766      2.82199  30.9158     31.9998     2.99584     31.9998     
1 1 1 22 8  29 o 15.7754 5.12184 -0.404068    2.83548  -0.270447    2.83651  13.8467     125.146     2.76728     125.146     
1 1 1 22 8  30 o 16.7398 5.45104 -0.0730294   3.29419  -0.0943775   3.19607  14.6856     66.0174     1.67121     66.0174     
1 1 1 22 8  31 o 21.7165 5.94101 1.57423      2.76655  5.50471      3.11634  25.3049     47.846      13.6904     47.846      
1 1 1 22 8  32 o 16.4017 5.14034 2.44485      2.74351  -1.74862     2.68151  12.2733     288.427     6.53033     108.427     
1 1 1 22 8  33 o 13.874  4.61145 -3.54822     2.64429  0.559409     2.57665  12.2663     21.3439     3.0867      21.3439     
1 1 1 22 8  34 o 15.0147 4.91223 0.0747878    2.68919  -0.336855    2.67339  10.5673     174.109     5.87727     174.109     
1 1 1 22 8  35 o 13.5323 4.56008 -3.50801     2.84208  -0.0379634   2.57799  10.4354     44.0676     1.24388     224.068     
1 1 1 22 8  36 o 20.6561 5.82008 3.18276      2.79686  4.18315      2.79436  22.0887     290.876     4.76007     290.876     
1 1 1 22 8  37 o 24.1504 6.10696 6.743        2.94444  4.45317      2.93368  31.2723     87.7292     17.4346     87.7292     
1 1 1 22 8  38 o 21.69   5.88739 6.00392      2.89002  2.7145       2.89799  24.6945     276.635     9.08288     276.635     
1 1 1 22 8  39 f 15.6354 5.05669 0.540111     2.70675  1.06853      2.75191  2.79242     86.137      0           0           
1 1 1 22 8  40 f 19.9939 5.75844 5.26541      2.92441  1.93966      2.88939  6.82329     289.85      0           0           
1 1 1 22 8  41 o 14.1203 4.75275 -0.951912    2.97621  0.132574     2.73428  4.90667     55.1331     1.10029     55.1331     
1 1 1 22 8  42 o 17.1327 5.36616 2.05369      2.78376  3.19576      2.8424   14.995      115.889     0.694902    295.889     
1 1 1 22 8  43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 9  0  o 14.1188 6.58445 -0.229258    3.6784   -0.229258    3.6784   4.36509     180         20.2386     8.65162e-06 
1 1 1 22 9  1  o 20.2149 6.07345 2.25129      3.20201  -1.52454     3.72455  18.5219     188.417     1.64884     188.417     
1 1 1 22 9  2  o 55.5546 4.33964 17.515       3.62757  18.7997      3.67078  53.0723     214.228     17.7603     34.2275     
1 1 1 22 9  3  o 16.7501 5.27729 -4.78002     3.02782  1.37223      2.96934  8.10551     294.079     2.62919     294.079     
1 1 1 22 9  4  o 23.9207 6.42626 3.66656      3.40958  2.51792      3.13519  26.2985     170.794     7.28519     170.794     
1 1 1 22 9  5  o 27.3911 6.21039 2.30219      3.22953  6.78711      3.12795  23.3333     226.478     10.9174     46.4777     
1 1 1 22 9  6  o 24.0748 6.39697 2.97959      3.269    3.45182      3.17273  23.5681     58.1623     1.08721     238.162     
1 1 1 22 9  7  o 26.6473 6.57669 4.09367      3.01582  4.78257      3.62148  33.2692     334.711     23.2892     334.711     
1 1 1 22 9  8  o 14.7935 4.93485 -2.64007     2.79078  -2.42285     3.05592  8.97608     63.0235     1.19391     63.0236     
1 1 1 22 9  9  o 39.0593 5.77579 12.0864      3.10683  7.43027      3.6178   33.6046     323.394     18.6815     143.394     
1 1 1 22 9  10 o 29.7325 6.50822 5.3645       3.025    6.37218      3.54471  40.4952     42.0761     21.1124     42.0761     
1 1 1 22 9  11 o 68.765  3.75054 24.6294      3.64555  30.5291      4.24351  86.5072     284.222     19.4512     284.222     
1 1 1 22 9  12 o 43.6732 5.51042 15.3257      3.19863  9.0331       3.71694  53.2761     136.949     11.1043     136.949     
1 1 1 22 9  13 o 30.0613 6.00344 7.91323      2.97187  3.97085      3.10355  40.7452     287.866     21.0302     287.866     
1 1 1 22 9  14 o 30.5952 5.96982 8.16389      2.96543  4.23172      3.09678  23.8587     280.522     17.7218     100.522     
1 1 1 22 9  15 o 40.5181 5.26634 10.2577      3.10847  10.5653      3.22118  49.1023     277.589     10.6256     277.589     
1 1 1 22 9  16 o 20.4364 5.5312  4.37384      2.76295  -1.9965      2.93769  12.6173     354.123     15.355      174.123     
1 1 1 22 9  17 o 19.9456 5.42857 -2.77215     2.77068  4.5328       2.84532  18.4497     149.723     1.5296      149.723     
1 1 1 22 9  18 o 49.894  4.46565 13.0289      3.23098  17.5461      3.43274  61.5806     160.031     14.025      160.031     
1 1 1 22 9  19 o 20.5633 5.66217 4.31362      2.89968  -1.29793     2.89585  19.9964     246.196     6.2381      246.196     
1 1 1 22 9  20 o 57.011  4.31943 18.4226      3.88353  21.1796      3.50391  72.2215     58.3201     19.3608     58.32       
1 1 1 22 9  21 o 23.1879 6.35738 4.50836      3.35941  2.02556      3.23925  25.1742     176.129     12.5073     176.129     
1 1 1 22 9  22 o 50.9528 4.95844 15.8935      3.77273  17.4098      3.79392  52.5556     91.9647     6.434       271.965     
1 1 1 22 9  23 o 23.299  6.3689  1.60327      3.53826  5.14256      3.28888  14.2231     301.638     10.2705     301.638     
1 1 1 22 9  24 o 23.8742 6.59798 1.75639      3.60772  5.98022      3.72187  25.9119     65.2611     6.15749     65.2611     
1 1 1 22 9  25 o 20.1261 5.82388 3.28426      2.98196  1.21911      2.83252  19.4163     73.4636     11.4773     73.4636     
1 1 1 22 9  26 f 17.2549 5.38818 1.05026      2.81153  0.33108      2.81338  16.8335     199.549     0           0           
1 1 1 22 9  27 o 15.7945 5.11572 -1.72294     2.86389  0.693787     2.83597  10.3094     230.863     5.57732     230.863     
1 1 1 22 9  28 o 38.4599 5.89886 12.0947      3.4264   9.83152      3.36922  38.6264     24.8784     5.40418     204.878     
1 1 1 22 9  29 o 18.8798 5.7464  1.07541      3.13471  2.43353      2.96921  12.188      353.85      12.7503     173.85      
1 1 1 22 9  30 o 16.7879 5.38393 -0.354185    2.93846  1.20487      3.10104  11.4245     1.01851     5.57337     1.01851     
1 1 1 22 9  31 o 16.6354 5.27011 1.49906      2.73216  -0.299009    2.92706  15.7431     49.1876     5.95522     49.1876     
1 1 1 22 9  32 o 24.6264 6.13096 5.47732      2.9196   4.99495      2.8578   28.2015     297.567     6.73163     297.567     
1 1 1 22 9  33 o 24.6461 5.84031 7.62551      2.90748  2.58036      2.83299  24.2969     46.0663     2.06441     226.066     
1 1 1 22 9  34 o 19.2965 5.66118 1.74189      2.79832  3.79451      2.82002  21.2051     330.609     7.0418      330.609     
1 1 1 22 9  35 o 19.1181 5.63668 3.53445      2.76611  2.07915      2.80714  17.9237     308.743     0.695685    128.743     
1 1 1 22 9  36 o 16.7795 5.22194 -0.992074    2.76269  3.28733      2.77191  9.65647     75.1425     6.1214      75.1425     
1 1 1 22 9  37 o 16.3734 5.18776 -0.331432    2.78881  2.55187      2.75979  4.1005      324.859     2.59417     324.859     
1 1 1 22 9  38 o 13.7299 4.58536 1.31799      2.65755  -4.02742     2.65562  4.62331     251.403     0.785688    251.403     
1 1 1 22 9  39 o 18.3271 5.57191 2.51803      2.84023  2.91857      2.83485  14.675      33.49       2.96666     33.49       
1 1 1 22 9  40 o 16.0317 5.20353 0.681475     3.09543  1.61911      2.79971  7.78996     220.763     2.87936     220.763     
1 1 1 22 9  41 o 17.0899 5.35756 2.29136      2.79638  2.82975      2.81202  15.7236     16.7551     4.54161     16.7551     
1 1 1 22 9  42 o 14.6206 4.84439 1.30884      2.76766  -0.172292    2.73436  12.5826     247.966     0.253613    247.966     
1 1 1 22 10 0  o 92.6483 3.75755 48.511       5.32015  48.511       5.32015  113.949     4.60975e-06 19.1695     4.60975e-06 
1 1 1 22 10 1  o 23.7469 6.24001 5.12553      3.20588  0.122963     3.45568  28.9114     107.518     15.4299     107.518     
1 1 1 22 10 2  o 48.1819 5.20193 16.1387      3.54919  12.4125      3.81433  65.6013     357.588     25.5394     357.588     
1 1 1 22 10 3  o 59.0671 4.62662 23.0686      4.52786  18.745       3.75761  75.2859     308.509     19.4212     308.509     
1 1 1 22 10 4  o 28.8929 6.43708 3.88409      3.31262  6.89815      3.26592  37.3436     302.232     15.942      302.232     
1 1 1 22 10 5  o 38.8176 5.71314 8.67304      3.28729  10.498       3.32284  46.7655     6.08088     9.31241     6.08088     
1 1 1 22 10 6  o 23.439  6.13753 1.17454      3.00371  4.73078      3.1381   27.4663     300.576     10.1083     300.576     
1 1 1 22 10 7  o 23.7311 6.30828 1.12596      2.94853  5.11103      3.51925  28.6344     291.524     13.7314     291.524     
1 1 1 22 10 8  o 30.3909 6.57074 6.33016      3.06663  6.04242      3.69847  35.2842     234.11      7.2895      234.11      
1 1 1 22 10 9  o 20.716  5.96535 2.15482      2.91693  1.39984      3.092    20.6342     170.149     2.92167     170.149     
1 1 1 22 10 10 o 17.4528 5.42736 0.787309     2.90274  -0.811192    2.77627  12.9384     97.5284     4.83142     97.5284     
1 1 1 22 10 11 o 28.1014 6.06715 2.61386      3.057    7.63036      3.11819  25.7545     153.571     7.27823     333.571     
1 1 1 22 10 12 o 20.5471 5.77079 -1.07249     2.93588  3.93064      3.00964  11.0847     194.987     19.1459     14.9866     
1 1 1 22 10 13 o 70.1786 3.59892 32.6624      3.68368  25.0222      3.93132  92.5529     240.999     29.6116     240.999     
1 1 1 22 10 14 o 19.2643 5.74328 -0.716711    2.86637  2.63695      3.13109  16.7432     273.715     5.18067     273.715     
1 1 1 22 10 15 o 41.136  5.12596 10.8545      3.12322  10.6049      3.1333   49.9256     142.163     11.3051     142.163     
1 1 1 22 10 16 o 28.6912 6.2273  3.40911      3.59597  7.43974      2.94053  31.1632     235.735     3.94628     235.735     
1 1 1 22 10 17 o 23.8272 6.12147 3.35972      2.9333   3.84879      2.87997  12.3628     78.7811     24.2751     258.781     
1 1 1 22 10 18 o 20.7    5.95071 1.93267      2.84273  2.1966       3.09971  16.6453     235.833     5.62412     55.8331     
1 1 1 22 10 19 o 19.42   5.89228 0.00359705   3.18185  2.09507      3.21587  14.9672     111.663     5.43559     291.663     
1 1 1 22 10 20 o 23.5998 6.35924 2.16829      3.25041  4.88823      3.3126   16.8244     197.23      13.9195     17.2295     
1 1 1 22 10 21 o 18.755  5.75977 -0.503996    3.16103  2.10489      3.14716  16.2858     103.609     0.783959    103.609     
1 1 1 22 10 22 o 21.1344 6.06137 -1.53124     3.37211  5.10317      3.45476  9.08824     298.943     24.7289     118.943     
1 1 1 22 10 23 o 36.5118 5.95042 5.83669      3.26826  13.9653      3.58575  40.7889     223.109     3.95107     223.109     
1 1 1 22 10 24 o 26.4457 6.33943 4.68639      3.16999  6.04463      3.04449  22.8904     355.917     8.94446     175.917     
1 1 1 22 10 25 o 27.3401 6.02498 2.64699      3.14385  8.597        3.12954  34.6168     308.533     14.1388     308.533     
1 1 1 22 10 26 o 28.8663 6.36486 5.33516      3.27523  7.96061      3.15845  29.5139     113.309     1.18868     293.309     
1 1 1 22 10 27 o 24.0529 6.38093 3.78135      3.41908  5.31901      3.09857  23.7065     322.341     0.887393    142.341     
1 1 1 22 10 28 o 17.0372 5.35604 -0.555434    2.88049  1.77467      2.85976  13.4636     267.811     6.30998     267.811     
1 1 1 22 10 29 o 28.1062 6.12814 13.0645      4.09518  0.422663     3.01466  29.9255     60.9035     2.26929     60.9035     
1 1 1 22 10 30 o 18.2063 5.64734 2.28665      3.05659  0.88996      3.05195  16.551      344.343     0.922377    164.343     
1 1 1 22 10 31 o 19.2911 5.65511 1.87075      2.76196  3.27524      2.78762  21.3317     284.683     13.8584     284.683     
1 1 1 22 10 32 o 17.9519 5.49145 1.2846       2.88105  2.42252      2.74046  17.8434     208.044     11.2741     208.044     
1 1 1 22 10 33 o 14.1246 4.70151 -0.413215    2.67332  -1.10917     2.59347  11.8312     342.297     2.16078     342.297     
1 1 1 22 10 34 o 17.1442 5.31774 2.47131      2.70349  0.645347     2.75995  16.6373     201.911     8.26649     201.911     
1 1 1 22 10 35 o 17.6599 5.42688 1.20412      2.78458  2.83832      2.77024  18.0766     139.857     6.14289     139.857     
1 1 1 22 10 36 o 15.3539 4.95986 2.06065      2.69097  -1.5349      2.73164  12.8992     3.24001     5.37087     3.24001     
1 1 1 22 10 37 o 19.124  5.68993 4.09496      2.91328  2.14752      2.85541  17.6729     129.779     1.3602      129.779     
1 1 1 22 10 38 f 22.9993 5.99676 2.77171      3.32673  7.21495      2.93565  15.4017     352.423     0           0           
1 1 1 22 10 39 o 18.798  5.31301 6.16201      2.84728  -2.0667      2.7836   16.6915     98.2504     1.26313     98.2504     
1 1 1 22 10 40 o 14.9199 4.89704 -1.19927     2.76147  2.28012      2.77043  6.68682     279.357     2.70179     279.357     
1 1 1 22 10 41 o 13.0613 4.45502 -0.532167    2.72534  -1.27655     2.63654  8.73707     9.81851     4.45112     189.819     
1 1 1 22 10 42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 11 0  o 15.5223 7.02716 0.911183     3.77762  0.911183     3.77762  6.72293     180         20.2694     8.65329e-06 
1 1 1 22 11 1  o 21.4615 6.00574 4.35445      3.21845  -1.65772     3.35253  20.9959     23.1693     12.7881     23.1693     
1 1 1 22 11 2  o 33.2078 6.3796  9.85541      3.38057  4.85609      3.68394  36.6393     260.248     2.92761     260.248     
1 1 1 22 11 3  o 14.9509 5.01657 -2.37918     2.93646  -3.39168     3.30206  6.35996     318.247     1.42605     318.247     
1 1 1 22 11 4  o 18.5103 5.60909 -3.11953     3.09284  2.60387      3.12043  12.3039     93.4133     11.0358     273.413     
1 1 1 22 11 5  o 19.3473 5.79686 -0.265129    2.93049  2.07311      3.13557  15.2854     303.11      6.1375      123.11      
1 1 1 22 11 6  o 37.6201 5.63502 8.19057      3.16083  10.0581      3.16906  28.8455     15.7513     24.121      195.751     
1 1 1 22 11 7  o 18.5629 5.71904 0.65705      3.23771  0.232205     2.89079  14.4483     94.6375     5.02808     274.638     
1 1 1 22 11 8  o 25.9093 6.44182 5.09396      3.39214  3.64659      2.9935   16.9687     2.83678     19.9846     182.837     
1 1 1 22 11 9  o 41.74   5.63206 8.7647       3.4081   13.927       3.54179  56.9097     350.368     24.7473     350.368     
1 1 1 22 11 10 o 30.0409 6.71197 7.12569      3.62775  5.46194      3.34234  23.9856     188.658     15.107      8.65793     
1 1 1 22 11 11 o 23.117  5.94745 -1.83866     3.22585  6.3015       3.31413  3.30418     358.272     41.7353     178.272     
1 1 1 22 11 12 o 24.5311 6.64515 4.81349      3.54535  2.45312      3.60564  5.63506     11.3566     39.9809     191.357     
1 1 1 22 11 13 o 34.404  6.33034 6.29985      3.46349  10.0847      3.45077  44.0571     312.723     17.1936     312.723     
1 1 1 22 11 14 o 22.0181 6.04439 4.824        3.20129  -0.645052    3.26197  21.2349     292.929     11.2954     292.929     
1 1 1 22 11 15 o 17.2606 5.49712 -2.86403     3.12005  1.19537      3.2304   12.4492     120.85      0.334273    300.85      
1 1 1 22 11 16 o 24.3723 6.48045 4.07705      3.24379  3.52956      3.37464  25.7941     180.755     5.99508     180.755     
1 1 1 22 11 17 o 23.5217 6.65478 4.89484      3.79746  1.32819      3.727    16.8766     352.21      11.2394     352.21      
1 1 1 22 11 18 o 18.0674 5.92069 0.431967     4.00669  -3.23813     3.93437  11.7703     253.584     8.98129     73.5836     
1 1 1 22 11 19 o 26.0792 6.74605 5.89288      3.32301  3.65368      4.01842  27.1394     347.886     2.90805     347.886     
1 1 1 22 11 20 o 44.3027 5.52173 11.2334      3.5177   15.3923      3.71455  58.1392     29.7487     21.5489     29.7487     
1 1 1 22 11 21 o 24.7862 5.84995 1.21746      2.97222  6.97673      2.95638  21.5125     329.824     7.40309     149.824     
1 1 1 22 11 22 o 42.5114 5.12957 12.469       3.23448  11.7896      3.23855  54.0668     105.113     17.0459     105.113     
1 1 1 22 11 23 o 21.0465 6.05386 3.42779      3.1035   2.15238      3.08891  19.3807     16.441      2.27719     196.441     
1 1 1 22 11 24 o 16.0211 5.23088 -0.21114     3.2437   -0.757334    2.76453  14.1285     357.793     0.692515    357.793     
1 1 1 22 11 25 o 42.4164 5.40699 14.8669      3.31514  10.5325      3.41621  56.9903     78.78       23.4372     78.78       
1 1 1 22 11 26 o 18.4231 5.60633 3.42372      3.08734  -1.20428     3.00017  18.574      299.349     6.6949      299.349     
1 1 1 22 11 27 o 19.1647 5.82601 0.469143     3.08536  3.28882      3.22933  19.2542     105.172     6.66219     105.172     
1 1 1 22 11 28 o 18.6808 5.61673 3.38278      2.94846  0.170541     2.89368  18.2451     269.86      9.20435     269.86      
1 1 1 22 11 29 o 13.2764 4.57787 -3.32825     3.02436  -2.97811     3.05723  8.47329     243.785     5.59011     63.7845     
1 1 1 22 11 30 o 14.6745 4.88362 1.04892      2.97302  -3.90588     2.87353  13.1742     283.904     5.29306     283.904     
1 1 1 22 11 31 o 18.4259 5.53236 -0.645202    2.71511  4.42699      3.06931  20.0142     51.8015     6.67171     51.8015     
1 1 1 22 11 32 o 13.3713 4.5266  -2.15398     2.71977  -1.06335     2.60613  9.96576     349.938     1.862       169.938     
1 1 1 22 11 33 o 17.1816 5.34107 0.584751     2.72764  2.57735      2.79594  13.9856     116.612     4.24715     296.612     
1 1 1 22 11 34 o 20.2228 5.6619  0.848677     2.82351  5.64826      2.87805  19.4108     144.474     0.148509    324.474     
1 1 1 22 11 35 o 16.419  5.15006 -1.34976     2.76087  3.19769      2.75201  15.0985     45.7088     1.6663      45.7088     
1 1 1 22 11 36 o 13.4563 4.54531 -0.181967    2.65082  -2.2016      2.67277  7.62641     195.813     1.07814     15.8127     
1 1 1 22 11 37 o 18.1407 5.59132 -0.182702    2.7714   4.91478      3.28806  9.92626     43.6813     4.54969     43.6813     
1 1 1 22 11 38 o 14.7172 4.87053 0.937855     2.77582  -0.843601    2.77384  7.00695     190.909     0.616933    190.909     
1 1 1 22 11 39 o 17.0399 5.33556 0.492724     2.87053  3.88795      2.86785  13.1823     55.1561     3.62805     235.156     
1 1 1 22 11 40 o 13.2428 4.50503 -0.0278743   2.71641  -1.50761     2.69679  9.63398     262.044     0.866598    262.044     
1 1 1 22 11 41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 12 0  o 23.316  8.28218 5.12456      3.65491  5.12456      3.65491  30.1483     5.60931e-06 10.956      5.60931e-06 
1 1 1 22 12 1  o 40.8325 6.32737 11.4159      3.84475  10.9371      3.89252  47.3116     75.9403     7.22809     75.9403     
1 1 1 22 12 2  o 23.4197 6.57132 2.58009      3.53366  3.39376      3.5445   24.4158     71.1729     5.33709     71.1729     
1 1 1 22 12 3  o 28.2557 6.37907 2.80453      3.07807  7.96032      3.53115  23.5126     314.95      11.6568     134.95      
1 1 1 22 12 4  o 29.3025 6.17007 7.57358      3.12635  3.98145      3.06966  36.5499     96.6884     14.8848     96.6884     
1 1 1 22 12 5  o 18.1829 5.41538 3.0655       2.93655  -3.87103     2.9573   14.698      110.778     0.792506    290.778     
1 1 1 22 12 6  f 24.3515 6.28955 2.17939      2.99399  5.17276      3.28984  23.6195     154.898     0           0           
1 1 1 22 12 7  f 18.9929 5.81725 2.75606      3.458    -2.50747     3.15055  28.4582     106.7       0           0           
1 1 1 22 12 8  o 32.2272 6.18383 11.6256      3.62069  2.36124      3.68569  27.8512     223.132     12.2709     43.132      
1 1 1 22 12 9  o 16.5661 5.41063 -1.51902     3.21347  -1.18567     3.2506   10.9627     90          3.58573     270         
1 1 1 22 12 10 o 20.849  6.12574 2.16797      3.27256  1.50085      3.21384  14.1985     87.8894     7.96413     87.8894     
1 1 1 22 12 11 o 25.8488 6.62637 2.15894      3.85988  6.11096      3.38901  20.0103     133.822     12.3993     313.822     
1 1 1 22 12 12 o 27.4544 6.80323 6.12822      3.79678  4.42469      3.31915  31.6043     108.551     10.3298     108.551     
1 1 1 22 12 13 o 22.2363 6.34323 3.19578      3.43156  2.04487      3.28029  14.4325     200.026     14.9886     20.0261     
1 1 1 22 12 14 o 19.9896 6.26466 -1.12397     4.05401  1.84482      3.76449  13.3495     148.126     10.7441     328.126     
1 1 1 22 12 15 o 27.3612 6.69098 1.23729      3.97178  8.48614      3.80767  19.2494     321.021     17.8437     141.021     
1 1 1 22 12 16 o 28.4782 7.05387 7.72103      3.9547   4.41513      3.86227  32.7507     102.021     9.65672     102.021     
1 1 1 22 12 17 o 26.1748 6.85117 2.89744      3.83765  6.83485      3.79532  23.1052     247.673     6.41014     67.6734     
1 1 1 22 12 18 o 16.9782 5.47472 0.808021     3.19015  -2.1739      3.27382  10.987      93.299      8.26261     273.299     
1 1 1 22 12 19 o 23.2589 6.5215  3.0212       3.50677  4.36231      3.48748  20.5904     74.1188     4.49733     254.119     
1 1 1 22 12 20 o 28.4509 7.06688 5.51482      4.23687  7.6573       3.6695   25.8551     203.601     6.71679     23.6006     
1 1 1 22 12 21 o 37.937  7.01567 14.2429      4.02841  9.23383      4.65212  34.4103     149.633     11.9341     329.633     
1 1 1 22 12 22 o 19.4852 6.1917  -0.134293    3.61003  2.61483      4.14528  16.2454     142.182     5.00124     322.182     
1 1 1 22 12 23 o 19.1201 6.13663 2.3546       4.40898  -0.0678804   3.34084  19.1396     135.9       3.6744      135.9       
1 1 1 22 12 24 o 28.3315 6.45334 5.43713      2.9973   7.70581      3.4284   36.3494     117.276     16.4448     117.276     
1 1 1 22 12 25 o 43.3195 5.46598 12.9749      3.6316   13.8339      3.3741   60.4003     56.6325     29.2566     56.6325     
1 1 1 22 12 26 o 24.706  6.45563 4.4652       3.2072   5.88156      3.32041  29.0053     7.84006     11.3404     7.84007     
1 1 1 22 12 27 o 35.4476 6.19353 9.89721      3.28667  10.1863      3.43558  45.1648     44.6194     16.7505     44.6194     
1 1 1 22 12 28 o 23.075  6.24334 3.35752      3.21617  5.70051      3.13218  25.3586     0.502474    5.57981     0.502474    
1 1 1 22 12 29 o 17.1549 5.48796 1.2182       3.11455  0.79025      3.09932  17.4389     73.5561     9.68682     73.5561     
1 1 1 22 12 30 o 15.2939 5.03333 0.247128     2.77587  -0.704382    3.01084  13.1511     30.4579     0.743259    210.458     
1 1 1 22 12 31 o 14.8777 4.88325 0.796823     2.73945  -1.24172     2.66361  12.5043     210.125     4.40873     210.125     
1 1 1 22 12 32 o 16.8896 5.29698 2.4247       2.81531  0.314486     2.7348   14.9024     230.192     0.735003    50.1922     
1 1 1 22 12 33 o 17.1077 5.39684 1.8996       3.00887  1.46303      2.76474  16.6715     166.59      4.59244     166.59      
1 1 1 22 12 34 o 20.0973 5.87676 1.79587      2.84103  5.4878       3.22132  16.2096     196.864     6.62618     16.8639     
1 1 1 22 12 35 o 16.5227 5.31075 3.66695      3.28274  -1.37929     2.70059  13.1388     168.301     0.130511    168.301     
1 1 1 22 12 36 o 14.5318 4.78771 -2.31712     2.72749  1.51853      2.68153  5.12079     236.426     0.0375897   236.426     
1 1 1 22 12 37 o 14.2618 4.73844 1.00176      2.68195  -1.71083     2.71043  7.53485     133.062     1.27894     313.062     
1 1 1 22 12 38 o 14.3592 4.77661 -0.85797     2.71089  1.19482      2.74788  9.64628     185.155     2.02626     5.15543     
1 1 1 22 12 39 o 12.8629 4.40463 -0.745888    2.68124  -1.57038     2.69866  8.78992     152.441     1.87439     332.441     
1 1 1 22 12 40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 13 0  o 13.4133 6.32804 -0.400377    3.56294  -0.400377    3.56294  3.64585     4.65102e-05 1.41514     180         
1 1 1 22 13 1  o 15.0563 5.09184 -2.88458     3.23516  -3.65953     3.45022  7.75069     85.6629     2.18463     265.663     
1 1 1 22 13 2  o 32.901  6.74723 6.66388      3.47491  8.73417      3.78581  44.9999     211.509     25.8081     211.509     
1 1 1 22 13 3  o 19.5357 5.95015 1.6036       3.22919  0.241316     3.30214  12.6752     345.137     11.3325     165.137     
1 1 1 22 13 4  o 37.4058 6.54708 10.1682      4.3484   9.29148      3.1814   50.4446     185.226     23.9921     185.226     
1 1 1 22 13 5  o 22.1278 6.37454 1.07018      3.66218  3.46097      3.34377  12.8172     233.814     18.2469     53.8139     
1 1 1 22 13 6  o 35.5484 5.72228 1.51307      3.86727  15.4077      3.59963  39.6728     245.79      4.73565     245.79      
1 1 1 22 13 7  o 27.1732 6.71013 4.51229      3.62248  5.62822      3.34496  25.6496     2.54197     3.14562     182.542     
1 1 1 22 13 8  o 17.87   5.68016 -0.798066    3.3012   0.219744     3.24997  12.9865     30.4333     3.27603     210.433     
1 1 1 22 13 9  o 24.3169 6.46336 3.41369      3.36017  4.09631      3.22769  25.4445     205.01      5.68677     205.01      
1 1 1 22 13 10 f 17.4226 5.45329 2.35951      3.19408  -5.08257     3.22502  16.031      142.592     0           0           
1 1 1 22 13 11 o 26.647  6.93051 3.90126      3.85148  5.9664       3.73009  31.4319     317.816     14.8643     317.816     
1 1 1 22 13 12 o 21.5319 6.19205 5.62818      3.81673  -3.53063     3.60484  18.3978     74.859      3.4494      254.859     
1 1 1 22 13 13 o 30.5136 6.94441 7.89586      4.03342  6.18588      3.37971  39.0016     46.753      18.8663     46.753      
1 1 1 22 13 14 o 15.9412 5.37023 -1.76585     4.00573  -3.11842     3.13351  10.2469     5.89177     0.843861    185.892     
1 1 1 22 13 15 o 16.8759 5.53824 0.0413426    3.75999  -2.03583     3.06475  12.4868     200.489     0.79094     200.489     
1 1 1 22 13 16 o 18.1299 5.7693  1.03312      3.85842  -0.182555    2.82542  13.557      8.98121     5.46766     8.98121     
1 1 1 22 13 17 o 14.1451 4.83478 -1.99878     3.44336  -4.15525     2.80875  7.97414     94.8235     1.05412     274.824     
1 1 1 22 13 18 o 22.03   6.17719 1.16667      3.65346  4.514        3.01439  22.3222     253.03      2.91447     253.03      
1 1 1 22 13 19 o 21.663  6.27729 3.42234      3.64624  2.76405      3.03078  19.6334     218.228     2.88646     38.2281     
1 1 1 22 13 20 o 24.23   6.59454 6.94339      3.72746  1.77992      3.6752   24.4878     220.916     0.817852    220.916     
1 1 1 22 13 21 o 22.7229 6.32815 -0.329995    3.67351  6.67842      3.63089  12.8779     297.051     20.8094     117.051     
1 1 1 22 13 22 o 19.1748 5.69156 -2.92757     3.17059  4.70848      3.27208  18.7716     140.236     2.23955     140.236     
1 1 1 22 13 23 o 26.5227 6.52339 7.76114      3.39964  3.8673       3.46207  22.9482     78.5335     8.18602     258.533     
1 1 1 22 13 24 o 24.3802 6.43026 1.43944      3.62369  7.79315      3.58338  26.1905     149.698     5.27086     149.698     
1 1 1 22 13 25 o 17.9926 5.99805 -1.17062     3.74981  1.29901      4.7558   16.2335     42.2993     6.49289     42.2993     
1 1 1 22 13 26 o 23.4014 6.66049 7.56447      3.80308  0.400335     4.79221  17.6496     134.439     11.8173     314.439     
1 1 1 22 13 27 o 19.363  5.87149 3.47789      2.96329  1.04881      3.57663  21.5163     282.242     12.9954     282.242     
1 1 1 22 13 28 o 21.8696 5.95192 6.39292      3.17376  1.45942      2.84714  22.9293     119.914     2.97658     119.914     
1 1 1 22 13 29 o 16.5362 5.2761  3.11665      3.04138  -3.19144     3.14557  14.2831     50.4071     7.93504     50.4071     
1 1 1 22 13 30 o 14.9938 4.96697 0.332448     3.02154  -0.861777    2.71673  12.7453     62.9224     1.9132      62.9224     
1 1 1 22 13 31 o 17.9863 5.51905 2.99579      2.89518  1.29339      2.81713  17.0095     155.58      1.42408     155.58      
1 1 1 22 13 32 o 17.5177 5.41995 3.46243      2.90663  0.286622     2.81099  15.1604     230.393     1.89839     50.3927     
1 1 1 22 13 33 o 15.2005 4.97952 -0.331214    2.88706  0.883975     2.69186  12.331      60.3589     2.34926     60.3589     
1 1 1 22 13 34 o 16.2988 5.2054  0.378584     2.90034  1.99151      2.73381  8.52602     106.463     3.43924     106.463     
1 1 1 22 13 35 o 14.4833 4.80984 -0.611952    2.76491  0.242272     2.70553  6.46004     60.4922     1.74313     240.492     
1 1 1 22 13 36 o 13.8341 4.64037 -2.75975     2.7387   0.940676     2.70453  3.9062      201.945     0.232583    201.946     
1 1 1 22 13 37 o 18.3934 5.50463 0.590284     2.84348  5.45705      2.92768  17.3704     58.4632     3.87155     58.4632     
1 1 1 22 13 38 f 17.98   5.43726 5.4011       2.92486  0.309831     2.81273  15.0029     39.3534     0           0           
1 1 1 22 13 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 14 0  o 27.7441 8.53078 6.95126      3.77371  6.95126      3.77371  40.3076     1.44306e-05 22.0792     1.44306e-05 
1 1 1 22 14 1  o 18.5837 5.92232 -2.7506      3.35079  1.82         3.91426  9.54191     195.623     15.479      15.6231     
1 1 1 22 14 2  o 19.7586 6.03958 1.432        3.30843  0.625568     3.4436   16.2235     8.68297     1.513       188.683     
1 1 1 22 14 3  o 20.1664 6.05562 2.61481      3.06728  -0.715842    3.82779  17.7595     29.7382     5.10696     29.7382     
1 1 1 22 14 4  o 37.5514 6.44601 8.65793      3.52969  11.1201      3.86792  35.3242     348.145     8.53979     168.145     
1 1 1 22 14 5  o 34.6705 6.36673 6.47847      3.50114  10.4921      3.51068  29.6001     302.801     13.6148     122.801     
1 1 1 22 14 6  o 26.277  6.59235 3.68262      3.42253  5.83716      3.37543  28.9927     22.6547     8.06635     22.6547     
1 1 1 22 14 7  o 29.1569 6.84667 6.76826      3.73271  5.72146      3.44893  25.2817     339.29      8.90404     159.29      
1 1 1 22 14 8  o 22.6297 6.55238 -0.183983    3.7703   5.03677      3.90214  20.7063     216.522     0.730429    36.5224     
1 1 1 22 14 9  o 45.0759 6.45454 13.4711      4.88449  15.1484      3.69085  55.4594     254.636     15.4701     254.636     
1 1 1 22 14 10 f 36.8175 6.9591  9.31081      4.70192  11.0587      3.55735  51.8061     279.082     0           0           
1 1 1 22 14 11 o 23.9581 6.61083 4.30737      3.70671  3.47354      3.33675  21.2448     113.581     4.14316     293.581     
1 1 1 22 14 12 o 20.0073 5.9703  -1.58745     3.65483  3.60239      3.21089  19.0037     347.596     5.37884     347.596     
1 1 1 22 14 13 o 21.9951 5.50136 -3.17435     3.16059  6.45492      2.94651  24.1766     284.347     9.28852     284.347     
1 1 1 22 14 14 o 17.5103 5.42605 1.87173      2.89113  -0.863152    2.83145  12.9386     21.8704     5.35181     21.8704     
1 1 1 22 14 15 o 20.2682 6.01431 1.95418      3.17664  2.40976      3.16643  13.0982     338.403     13.4942     158.403     
1 1 1 22 14 16 o 33.682  6.29055 9.0318       3.28299  8.12235      3.35122  44.9944     220.196     21.3839     220.196     
1 1 1 22 14 17 o 16.5203 5.33546 1.09357      3.14122  -1.87348     2.99213  14.4141     1.30835     1.63898     1.30835     
1 1 1 22 14 18 o 31.9199 6.31228 10.0752      3.37965  5.96947      3.2634   25.6843     299.379     15.7787     119.379     
1 1 1 22 14 19 o 14.4756 4.86269 -1.98428     2.96106  -1.69057     2.92243  10.7756     287.765     2.72894     287.765     
1 1 1 22 14 20 o 15.5542 5.1034  -1.33366     3.1824   -0.212332    2.71135  12.8015     152.589     2.67881     152.589     
1 1 1 22 14 21 o 27.2465 6.08901 7.7921       3.01717  3.96787      2.9931   28.9421     104.924     2.94446     104.924     
1 1 1 22 14 22 o 22.8555 5.95635 6.03039      3.01489  1.83513      2.85774  26.1292     156.603     10.4208     156.603     
1 1 1 22 14 23 o 19.3255 5.75228 2.5444       3.00466  2.15868      2.81973  19.356      144.295     4.945       144.295     
1 1 1 22 14 24 o 23.906  6.47059 6.54338      3.60231  3.53845      3.11473  23.8792     146.397     0.715027    146.397     
1 1 1 22 14 25 o 18.4808 5.80954 -1.79628     3.68991  3.86164      3.43094  19.7965     7.53918     8.48377     7.53918     
1 1 1 22 14 26 o 16.4751 5.50121 -0.92313     3.92562  0.0970657    3.43215  16.3235     14.2591     6.55477     14.2591     
1 1 1 22 14 27 o 17.395  5.70529 -1.49645     3.94599  2.29897      3.58448  12.4565     330.973     8.2812      150.973     
1 1 1 22 14 28 o 15.9418 5.41452 -0.373754    3.79921  -1.75961     3.95781  12.4478     23.9942     3.62257     203.994     
1 1 1 22 14 29 o 17.5988 5.87003 0.167494     3.24556  2.3754       4.89163  16.5896     259.099     3.18135     259.099     
1 1 1 22 14 30 f 16.4158 5.41707 -2.97987     3.17041  3.35257      3.66886  13.3219     306.662     0           0           
1 1 1 22 14 31 o 12.4806 4.29045 -2.15094     2.59651  -2.24291     2.6359   3.59953     197.143     1.06275     197.143     
1 1 1 22 14 32 o 19.3644 5.70558 4.0556       2.82445  2.40869      2.90165  18.6201     198.979     3.14997     198.979     
1 1 1 22 14 33 o 25.8458 6.26508 6.73538      2.99038  6.48414      3.0234   30.1503     139.483     13.2608     139.483     
1 1 1 22 14 34 o 17.1405 5.3797  1.3295       2.84261  2.53842      2.85053  10.3746     162.254     8.34813     342.254     
1 1 1 22 14 35 o 13.0522 4.46066 -0.792819    2.68016  -2.15951     2.78903  5.60721     125.631     8.00779     305.631     
1 1 1 22 14 36 o 13.1721 4.4779  -2.55362     2.72802  0.478457     2.66452  7.74515     204.503     0.240134    24.5035     
1 1 1 22 14 37 o 16.9141 5.20268 -1.59872     2.85908  4.94107      2.81984  16.9731     91.4599     6.02019     91.4599     
1 1 1 22 14 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 15 0  o 12.1671 5.85457 -1.05794     3.34979  -1.05794     3.34979  1.68937     360         1.32565     180         
1 1 1 22 15 1  o 18.454  5.77847 0.670452     3.3808   0.371683     3.11501  11.8897     355.639     5.0335      355.639     
1 1 1 22 15 2  o 18.9746 5.93058 0.264735     3.48046  1.05723      3.3529   3.07923     115.746     31.2636     295.746     
1 1 1 22 15 3  o 39.6679 6.98017 10.2076      4.02833  13.4534      4.49172  43.6451     314.911     4.32749     314.911     
1 1 1 22 15 4  o 19.8337 6.20136 2.60275      3.69802  -1.8338      4.10663  12.9125     135.375     11.4723     315.375     
1 1 1 22 15 5  o 20.6407 6.3168  4.48912      4.06258  -3.4442      3.99756  18.1395     74.8965     0.626152    254.897     
1 1 1 22 15 6  o 23.5391 7.02387 1.79208      3.79317  5.17267      4.90133  21.3688     237.61      1.88951     57.6096     
1 1 1 22 15 7  o 18.4416 5.99153 -0.233165    4.10443  -0.478941    3.66446  12.4959     270.372     8.39008     90.3719     
1 1 1 22 15 8  o 14.513  4.9381  -2.3432      3.3384   -3.90157     3.14513  6.53968     329.773     11.0412     149.773     
1 1 1 22 15 9  o 28.5904 6.69902 7.74183      3.58988  4.93681      3.38947  34.1424     317.519     12.5096     317.519     
1 1 1 22 15 10 o 23.8671 6.245   2.97777      3.16275  5.06436      3.05202  26.7383     137.074     9.30529     137.074     
1 1 1 22 15 11 o 21.7584 5.98704 5.35287      3.18849  -0.0754115   3.13605  23.5093     292.214     13.039      292.214     
1 1 1 22 15 12 o 16.5633 5.34386 -2.42903     3.16517  1.10908      3.06331  11.1501     194.809     4.61272     194.809     
1 1 1 22 15 13 o 26.9824 6.37922 3.63458      3.32293  7.57214      3.2516   15.4701     55.6848     24.9455     235.685     
1 1 1 22 15 14 o 26.29   6.59946 5.77663      3.37716  5.34225      3.32735  19.7909     78.458      14.2254     258.458     
1 1 1 22 15 15 o 27.4891 7.08593 9.0158       4.53654  4.4606       3.266    33.5185     87.9047     13.3246     87.9047     
1 1 1 22 15 16 o 17.2633 5.5754  0.602431     3.53521  -0.267186    3.04361  16.1784     266.108     2.98692     266.108     
1 1 1 22 15 17 o 21.1422 6.18062 2.46605      3.45336  3.41733      3.15033  19.2269     211.691     2.25993     31.6911     
1 1 1 22 15 18 o 35.3947 6.17144 9.21985      3.56363  10.0956      3.15199  41.3029     345.156     9.26348     345.156     
1 1 1 22 15 19 f 25.9519 6.21365 3.83448      3.1744   6.96906      3.01428  25.876      70.5541     0           0           
1 1 1 22 15 20 o 13.0143 4.4325  -5.35228     2.71081  -0.622705    2.68222  6.37089     282.942     7.17652     102.942     
1 1 1 22 15 21 o 19.942  5.81453 2.62914      2.8953   2.82327      2.88249  18.5723     247.362     0.0463034   247.362     
1 1 1 22 15 22 o 21.6429 5.91425 1.54237      3.08807  5.34885      2.91114  24.7617     257.695     9.86094     257.695     
1 1 1 22 15 23 f 19.9886 5.90576 2.86519      2.98989  3.0345       3.08132  9.87275     339.076     0           0           
1 1 1 22 15 24 o 23.3387 6.4921  4.78581      3.74847  5.29099      3.18453  27.6946     130.021     11.0109     130.021     
1 1 1 22 15 25 o 17.1199 5.44201 -2.0223      3.33702  3.00946      3.07384  17.2635     319.971     5.86244     319.971     
1 1 1 22 15 26 o 32.487  6.22073 10.5385      3.1878   7.886        3.3033   31.0779     61.1145     4.94019     241.115     
1 1 1 22 15 27 o 14.285  4.79415 -2.24537     3.08371  -0.0513486   2.71198  11.1983     349.582     0.731419    349.582     
1 1 1 22 15 28 o 20.1716 6.02347 3.1564       3.2883   4.00363      3.16315  21.8439     57.3102     8.17878     57.3102     
1 1 1 22 15 29 o 19.2863 5.87131 1.47246      3.42834  4.46815      3.14201  20.2606     326.911     7.21651     326.911     
1 1 1 22 15 30 o 22.2223 6.53352 3.68272      3.49052  7.25856      3.95187  15.1196     27.4434     13.2808     207.443     
1 1 1 22 15 31 o 13.9938 4.78454 -1.86812     3.17126  -1.20779     3.11491  7.26734     50.956      7.04113     230.956     
1 1 1 22 15 32 o 17.1704 5.53728 2.88546      3.24267  0.158558     3.36677  10.7244     205.15      2.49047     205.15      
1 1 1 22 15 33 o 18.1042 5.83546 2.81603      3.29777  2.28024      3.97551  13.6638     325.771     4.05275     325.771     
1 1 1 22 15 34 o 17.1359 5.57551 0.0583699    2.83682  4.82539      3.81877  3.96367     102.771     2.1399      102.771     
1 1 1 22 15 35 o 15.3827 5.0128  2.349        2.77692  -0.0160303   2.81107  12.5988     27.4545     1.22777     27.4545     
1 1 1 22 15 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 16 0  o 26.8121 9.17537 7.56208      4.41654  7.56208      4.41654  15.261      8.00512e-09 27.7814     180         
1 1 1 22 16 1  o 21.7995 6.59606 0.960657     4.35852  3.76371      3.76346  19.1617     81.8471     2.60345     261.847     
1 1 1 22 16 2  o 30.3657 8.15601 11.8251      5.66582  5.43864      5.19106  28.2181     359.599     22.5481     359.599     
1 1 1 22 16 3  o 26.8029 7.74728 7.19412      5.11182  5.0212       5.09296  27.8181     60.7333     3.98168     60.7333     
1 1 1 22 16 4  o 28.8225 7.19274 10.3093      4.22734  2.31518      5.06731  37.6286     67.4101     23.1021     67.4101     
1 1 1 22 16 5  o 23.869  6.91968 2.24872      4.17788  5.68211      4.14467  20.9738     313.164     4.49112     133.164     
1 1 1 22 16 6  o 19.2748 6.10183 1.26086      3.82784  0.685044     3.62365  17.6177     326.02      1.64008     326.02      
1 1 1 22 16 7  o 28.9347 6.02322 1.77588      3.38714  10.5107      3.42169  30.1555     292.64      1.52423     292.64      
1 1 1 22 16 8  o 30.0085 6.48652 9.39816      3.4686   4.81333      3.41303  26.678      307.529     8.37909     127.529     
1 1 1 22 16 9  o 28.0243 6.48625 8.49233      3.43444  3.91861      3.39815  30.1808     313.314     4.06764     313.314     
1 1 1 22 16 10 o 15.3564 5.09571 0.241463     3.12765  -3.5749      3.10106  12.2788     172.248     0.313498    172.247     
1 1 1 22 16 11 o 23.6429 6.48379 5.76655      3.42316  2.54544      3.58766  24.5188     289.491     3.02597     289.491     
1 1 1 22 16 12 o 20.8303 6.16831 4.57523      3.328    -0.799662    4.01672  23.4827     212.618     11.5216     212.618     
1 1 1 22 16 13 o 21.5313 6.3656  3.00364      3.32745  3.29866      3.73575  19.1507     27.8174     3.30243     207.817     
1 1 1 22 16 14 o 20.1294 6.0082  1.19958      3.24347  3.42307      3.24022  21.4253     142.773     10.6598     142.773     
1 1 1 22 16 15 f 13.961  4.79522 -2.83037     3.48241  -3.40628     2.94752  5.00861     22.7739     0           0           
1 1 1 22 16 16 o 17.1297 5.39813 1.70048      2.93299  -0.42668     2.90553  14.262      22.3337     0.71618     202.334     
1 1 1 22 16 17 o 18.6639 5.6865  1.62234      3.02614  1.97777      2.91223  17.5451     207.428     4.67112     207.428     
1 1 1 22 16 18 o 26.6017 5.87425 2.20429      3.09444  8.92456      3.07086  19.494      207.441     15.21       27.4414     
1 1 1 22 16 19 o 18.9265 5.70543 2.30522      2.93548  1.99819      2.92057  18.5218     12.6839     3.47687     12.6839     
1 1 1 22 16 20 o 16.291  5.23262 1.68867      2.96191  -1.13132     2.84429  7.37285     210.102     16.608      30.1017     
1 1 1 22 16 21 o 21.1932 6.10439 2.28634      3.4657   4.70436      3.0533   21.1864     127.678     1.56081     127.678     
1 1 1 22 16 22 o 15.4113 5.11787 0.653736     3.24271  -1.72602     2.92551  13.1639     146.766     0.768516    326.766     
1 1 1 22 16 23 o 18.0642 5.57221 3.32745      3.0747   0.349587     2.87431  15.9721     118.148     1.72903     298.148     
1 1 1 22 16 24 o 17.0053 5.37947 -1.26061     2.96053  3.10655      3.06122  8.77723     96.0593     15.1672     276.059     
1 1 1 22 16 25 o 19.8401 5.76522 5.03909      3.02233  1.05264      2.92246  21.1605     131.32      7.03558     131.32      
1 1 1 22 16 26 f 15.7892 5.09567 1.0405       2.81183  0.312908     2.69131  8.03857     258.687     0           0           
1 1 1 22 16 27 f 15.624  5.20255 -0.312614    3.17704  0.475667     3.28152  12.4212     143.073     0           0           
1 1 1 22 16 28 o 15.283  5.08174 -0.686716    3.20334  0.559131     2.96369  12.2389     42.9484     0.123642    222.948     
1 1 1 22 16 29 o 16.5861 5.28872 -0.344253    3.19331  2.5542       2.77061  13.0224     88.427      3.18821     88.427      
1 1 1 22 16 30 o 17.7909 5.47168 1.69773      2.88333  2.86883      2.7609   13.632      88.4863     3.1074      88.4863     
1 1 1 22 16 31 o 17.8667 5.45829 0.462983     2.94681  3.94078      2.8219   11.0329     215.777     4.22131     215.777     
1 1 1 22 16 32 o 13.5654 4.57675 -2.55553     2.71064  0.617646     2.69716  6.89043     144.061     4.70503     324.061     
1 1 1 22 16 33 o 16.895  5.35745 5.30632      3.25205  -1.42294     2.82356  14.0264     153.391     5.39476     153.391     
1 1 1 22 16 34 o 14.4976 4.93631 -0.61569     3.24547  0.389079     3.27683  11.4836     141.66      0.0350524   141.658     
1 1 1 22 16 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 17 0  o 62.1224 4.7788  23.8404      4.43436  23.8404      4.43436  72.8617     9.34157e-06 11.6278     9.34157e-06 
1 1 1 22 17 1  o 16.9722 5.65822 0.0156623    3.80295  -2.92441     3.97133  14.1462     108.818     1.32018     288.818     
1 1 1 22 17 2  o 21.7214 6.58218 4.92851      4.20426  0.884526     3.79052  23.622      95.9529     8.16672     95.9529     
1 1 1 22 17 3  o 26.2936 7.35551 6.10463      4.37114  6.23253      4.45532  29.1077     233.491     7.29288     233.491     
1 1 1 22 17 4  o 21.9118 6.60276 0.893406     3.70271  5.30114      4.26003  20.12       102.746     1.89828     282.746     
1 1 1 22 17 5  o 29.5349 6.78278 9.38536      3.57337  5.08264      3.98918  35.8453     238.578     12.8864     238.578     
1 1 1 22 17 6  o 20.7836 6.12551 0.849583     3.35439  4.19964      3.36467  17.393      61.324      5.41443     241.324     
1 1 1 22 17 7  o 58.5573 4.54925 20.8333      3.98052  24.1506      4.0705   70.7039     87.2817     16.6948     87.2817     
1 1 1 22 17 8  o 23.4721 6.52945 3.58747      3.55781  4.96939      3.42463  21.9401     233.612     1.92344     53.6123     
1 1 1 22 17 9  o 36.3965 6.50261 12.7925      3.79811  8.35966      3.61248  49.6887     57.1738     25.6897     57.1738     
1 1 1 22 17 10 o 20.5967 6.42883 4.56564      4.55555  0.43564      3.35642  13.8681     346.28      12.1102     166.28      
1 1 1 22 17 11 o 17.558  5.63143 0.1479       3.33761  0.841255     3.26471  13.9379     318.957     3.33722     138.957     
1 1 1 22 17 12 o 17.0985 5.44958 -0.0881525   3.12616  1.06273      2.96853  13.66       154.487     2.13212     334.487     
1 1 1 22 17 13 o 21.2733 5.82142 5.88956      3.1004   -0.41314     3.0446   22.3328     260.469     6.70838     260.469     
1 1 1 22 17 14 o 18.9802 5.7134  3.94815      3.05246  -1.25308     3.35318  14.5025     46.7024     6.17711     226.702     
1 1 1 22 17 15 o 24.1737 6.28151 3.68067      3.19927  6.04905      3.10113  24.9092     179.442     3.27045     179.442     
1 1 1 22 17 16 o 16.0417 5.16296 -2.56836     2.97006  1.906        2.90452  9.99975     237.545     5.10344     237.545     
1 1 1 22 17 17 o 15.1656 5.09322 -1.07228     3.0385   -1.39223     3.40896  9.23723     110.025     4.49557     110.025     
1 1 1 22 17 18 o 21.1203 5.94547 -1.11501     3.1218   6.99667      3.48361  25.0876     241.713     15.8541     241.713     
1 1 1 22 17 19 o 22.5489 6.32364 2.46499      3.17773  6.5514       3.55237  24.1643     328.921     5.06178     328.921     
1 1 1 22 17 20 o 22.9387 6.29302 5.13406      3.12788  4.45939      3.25269  23.3953     10.5708     2.36919     10.5709     
1 1 1 22 17 21 o 17.8194 5.56002 1.45145      3.00449  2.12935      2.97337  17.9417     299.993     8.86395     299.993     
1 1 1 22 17 22 o 22.2783 6.13506 5.0394       3.0354   4.10717      3.04635  24.3159     106.202     7.01447     106.202     
1 1 1 22 17 23 o 15.9021 5.15889 -1.54088     2.9775   2.0032       2.93266  13.7579     36.0021     1.48149     36.0021     
1 1 1 22 17 24 o 16.3874 5.26438 2.53843      3.02247  -0.943979    2.89646  13.352      185.824     2.07068     5.82429     
1 1 1 22 17 25 o 17.0859 5.3559  3.02297      2.90373  0.188887     2.81109  16.2817     216.043     5.48504     216.043     
1 1 1 22 17 26 o 19.9309 5.93197 4.56022      3.32889  2.79347      2.85899  21.1691     161.929     10.0788     161.929     
1 1 1 22 17 27 o 18.4603 5.76168 1.82934      3.26954  3.52317      3.20399  13.4933     88.6695     7.07442     88.6695     
1 1 1 22 17 28 o 16.8108 5.42746 0.776592     3.19623  2.00709      3.08948  11.3266     151.596     1.87591     151.596     
1 1 1 22 17 29 o 14.7536 4.87873 -2.60333     3.16093  1.45822      2.67357  6.08897     66.2134     0.540491    246.213     
1 1 1 22 17 30 o 16.8934 5.31555 1.54786      2.8331   2.33722      2.75467  12.3017     133.914     2.12173     313.914     
1 1 1 22 17 31 f 16.5576 5.20697 -0.356272    2.97346  3.67836      2.72328  8.4555      89.5381     0           0           
1 1 1 22 17 32 o 13.3226 4.5596  -2.54565     3.18488  0.0370485    2.69893  6.31185     51.8882     1.9858      51.8882     
1 1 1 22 17 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 18 0  o 18.521  7.6025  3.7049       3.55034  3.7049       3.55034  19.8258     2.91992e-05 10.8465     2.91992e-05 
1 1 1 22 18 1  o 21.6716 6.44805 4.36232      3.86356  2.29537      3.46843  22.3774     280.381     5.86383     280.381     
1 1 1 22 18 2  o 30.9121 7.24474 8.34694      4.04234  8.95203      4.00481  35.8411     184.789     10.6359     184.789     
1 1 1 22 18 3  o 25.1892 6.90762 1.83394      4.23396  8.46867      4.14097  30.3225     295.793     16.3641     295.793     
1 1 1 22 18 4  o 21.6367 6.43638 2.09335      3.66009  4.44189      3.71461  13.0387     73.8549     16.1841     253.855     
1 1 1 22 18 5  o 17.6815 5.70466 -0.464085    3.29572  1.38443      3.59714  12.7959     119.237     6.18587     299.237     
1 1 1 22 18 6  o 23.1727 6.52118 4.66867      3.39998  4.02686      3.60478  24.2265     175.895     5.72128     175.895     
1 1 1 22 18 7  o 22.2515 6.11593 6.34675      3.36075  0.547006     3.21654  24.5839     296.469     10.8334     296.469     
1 1 1 22 18 8  o 24.3477 6.40362 2.51336      3.3473   7.15293      3.45586  15.6101     195.427     12.0519     195.427     
1 1 1 22 18 9  o 19.526  5.88804 0.811433     3.27753  3.48133      3.13284  9.79636     78.9739     6.38207     78.9739     
1 1 1 22 18 10 o 16.767  5.37719 -1.25339     3.15717  1.66081      3.00385  10.3949     10.0242     5.14221     10.0242     
1 1 1 22 18 11 o 20.1177 5.95878 2.57972      3.14089  3.00007      3.07088  20.7512     351.024     11.1313     351.024     
1 1 1 22 18 12 o 21.3262 6.0719  4.74569      3.1636   2.21434      3.08141  23.8959     312.498     10.7326     312.498     
1 1 1 22 18 13 o 14.1885 4.81406 -2.2639      3.17971  -1.64391     2.90644  10.2986     242.466     2.69848     242.466     
1 1 1 22 18 14 o 18.6008 5.73587 1.57349      3.15672  2.43759      3.05139  19.5492     292.444     7.37379     292.444     
1 1 1 22 18 15 o 16.6164 5.33925 0.0809454    3.08146  1.17986      2.91275  15.6936     130.881     2.11854     130.881     
1 1 1 22 18 16 o 17.0513 5.46175 0.656163     3.12921  1.29256      3.0572   16.1202     299.811     2.20444     299.811     
1 1 1 22 18 17 f 19.15   5.83548 3.21348      3.15064  1.92177      3.12697  22.5195     32.1777     0           0           
1 1 1 22 18 18 o 21.3089 6.15143 4.06957      3.11876  3.95604      3.27079  21.5964     135.757     3.27944     135.757     
1 1 1 22 18 19 o 18.0111 5.66749 1.68519      3.14192  2.187        3.19013  14.6677     29.8879     3.7458      209.888     
1 1 1 22 18 20 o 19.2353 5.69695 5.11348      3.06937  -0.452272    3.17009  13.4357     143.602     9.84835     323.602     
1 1 1 22 18 21 o 15.1894 4.98142 -3.26441     2.8451   2.18005      2.96213  1.90186     51.1941     1.05874     51.1941     
1 1 1 22 18 22 o 18.0371 5.54186 1.61377      2.94178  2.94656      2.84039  7.36393     125.647     20.0901     305.647     
1 1 1 22 18 23 o 19.3378 5.83969 4.15144      3.1621   2.27475      3.03542  18.4473     77.7643     11.3632     77.7643     
1 1 1 22 18 24 o 13.729  4.64946 0.470583     2.88152  -3.44871     2.79641  7.85741     81.0718     1.14693     81.0718     
1 1 1 22 18 25 o 18.1249 5.66306 2.54189      2.92876  2.45946      3.30008  11.9944     76.2571     8.27696     256.257     
1 1 1 22 18 26 o 15.4615 5.12852 1.9324       3.17964  -2.14616     3.12045  5.94401     149.473     0.914194    149.473     
1 1 1 22 18 27 o 16.8736 5.38079 2.24443      2.84875  1.0306       3.13435  10.0242     88.7087     2.04886     88.7087     
1 1 1 22 18 28 o 17.1309 5.35968 2.68397      2.8429   1.57465      2.75035  6.79846     279.263     3.17022     279.263     
1 1 1 22 18 29 o 14.8483 4.90968 0.95094      2.86508  0.377369     2.71261  9.33838     260.764     4.88569     80.7637     
1 1 1 22 18 30 o 18.54   5.4781  5.95749      2.92573  0.340301     2.77781  17.7315     161.386     3.39327     161.386     
1 1 1 22 18 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 18 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 19 0  o 27.4982 8.79978 8.05907      4.0124   8.05907      4.0124   30.7019     1.28956e-05 3.05182     1.28956e-05 
1 1 1 22 19 1  o 32.2482 7.41417 10.0024      4.42201  10.1668      4.04673  35.1877     78.7189     6.21303     78.7189     
1 1 1 22 19 2  o 20.1412 6.4432  0.406073     4.33525  3.85569      4.34776  12.5056     67.3745     8.33368     67.3745     
1 1 1 22 19 3  f 16.0224 5.46066 -0.568765    4.14282  -3.63385     3.85405  10.035      205.654     0           0           
1 1 1 22 19 4  o 32.5911 6.87575 6.66026      3.7564   12.7738      4.04203  42.6        137.016     21.4232     137.016     
1 1 1 22 19 5  o 17.4421 5.67999 -2.60806     3.79615  2.38256      3.56118  12.3412     155.759     7.26556     335.759     
1 1 1 22 19 6  o 23.6668 6.38965 7.18868      3.54477  2.43851      3.2593   28.8031     66.6315     18.2629     66.6315     
1 1 1 22 19 7  o 29.081  6.47545 5.41611      3.48992  9.56657      3.35578  33.3755     80.4421     9.28202     80.4421     
1 1 1 22 19 8  o 15.3286 5.10341 0.841635     3.23214  -2.84439     3.04351  11.4565     126.626     5.32889     126.626     
1 1 1 22 19 9  o 23.528  6.30007 7.35323      3.41293  2.0563       3.38286  26.1961     359.451     7.65518     359.451     
1 1 1 22 19 10 o 17.1675 5.40561 -3.86239     3.44686  3.45601      3.06449  17.3665     15.5915     5.57205     15.5915     
1 1 1 22 19 11 o 17.695  5.62137 2.30886      3.2496   0.30777      3.18839  11.2422     291.964     7.64763     291.964     
1 1 1 22 19 12 o 21.55   6.22658 3.88322      3.32834  4.2046       3.22713  16.1905     327.767     9.66155     147.767     
1 1 1 22 19 13 o 14.5893 4.91253 -2.98509     3.16556  0.0339552    3.01146  10.6589     82.6103     3.82934     262.61      
1 1 1 22 19 14 o 23.0243 6.3196  7.94553      3.6534   1.77334      3.20549  19.2755     144.473     6.31577     324.473     
1 1 1 22 19 15 o 18.215  5.6821  2.96352      3.16598  1.06833      3.1157   17.1714     99.6995     2.33804     99.6995     
1 1 1 22 19 16 o 14.7454 4.9282  -3.1259      3.04186  0.947406     3.00051  9.31227     227.41      3.87976     227.41      
1 1 1 22 19 17 o 17.3204 5.38586 4.01759      2.96356  -3.64481     3.49635  16.1029     102.31      3.1475      102.31      
1 1 1 22 19 18 o 18.4963 5.67678 1.89714      2.97511  3.07053      3.04168  17.7268     231.924     9.70094     231.924     
1 1 1 22 19 19 o 20.0081 6.05226 4.36336      3.46504  2.95395      3.16337  16.418      282.147     4.53695     102.147     
1 1 1 22 19 20 o 17.4755 5.42545 3.65939      2.93975  -0.207426    2.92272  16.6331     41.748      4.8012      41.748      
1 1 1 22 19 21 o 19.6593 6.06034 3.55298      4.23636  3.49609      2.88988  19.4352     15.3241     9.97324     15.3241     
1 1 1 22 19 22 o 19.4209 5.68299 4.9609       2.92462  1.32151      2.88845  18.2691     154.599     4.5578      154.599     
1 1 1 22 19 23 o 16.9826 5.38843 1.21108      2.92792  2.16221      2.93633  12.3313     156.019     0.0824744   156.019     
1 1 1 22 19 24 o 14.6217 4.89223 -1.69146     3.27639  0.494208     2.71032  4.77668     164.241     13.313      344.241     
1 1 1 22 19 25 o 21.099  6.02344 6.72713      3.35129  2.30818      2.8652   9.9444      82.4503     6.35356     82.4503     
1 1 1 22 19 26 o 16.049  5.21189 -2.57984     3.27118  3.53139      3.06502  10.7987     174.323     1.71046     174.323     
1 1 1 22 19 27 o 17.4901 5.50687 0.933194     2.86943  4.56789      3.20068  11.555      299.851     6.05467     299.851     
1 1 1 22 19 28 o 16.3886 5.21661 2.90327      2.8451   1.29349      2.70568  13.4588     85.4289     0.778521    265.429     
1 1 1 22 19 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 19 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 20 0  o 35.7381 8.47951 11.5079      4.16444  11.5079      4.16444  59.0759     7.67346e-06 43.0269     7.67346e-06 
1 1 1 22 20 1  o 20.2113 6.22243 2.84596      3.62595  3.45065      3.63251  22.2061     341.791     12.9634     341.791     
1 1 1 22 20 2  o 15.6763 5.32643 0.389918     3.88867  -3.5671      3.59736  3.85093     212.065     2.36339     212.065     
1 1 1 22 20 3  o 23.7284 6.80042 6.13602      4.35123  5.22922      3.4364   27.3542     317.011     11.099      317.011     
1 1 1 22 20 4  o 18.8268 6.01079 3.86408      3.82525  -0.350741    3.76889  4.24433     215.878     3.07076     215.878     
1 1 1 22 20 5  o 20.7958 6.31148 2.99493      3.38951  4.36823      3.85334  19.2084     204.078     0.511215    24.0777     
1 1 1 22 20 6  o 18.6373 5.9469  2.90572      3.35498  0.476292     4.14492  11.9054     126.067     11.564      306.067     
1 1 1 22 20 7  o 15.0317 5.05618 0.406987     3.24371  -2.91972     3.23227  11.6273     356.573     2.14069     176.573     
1 1 1 22 20 8  o 19.6699 6.01433 2.32727      3.37542  3.55759      3.33833  17.4231     87.5695     11.6651     87.5695     
1 1 1 22 20 9  o 31.9404 6.65286 10.1359      3.57174  8.80764      3.42395  40.3619     320.805     18.2004     320.805     
1 1 1 22 20 10 o 22.1276 6.35034 4.76839      3.38523  4.55446      3.37114  25.5472     342.384     14.372      342.384     
1 1 1 22 20 11 o 15.0658 5.04356 -0.561686    3.10754  -0.68047     3.1155   6.0739      232.209     3.08506     232.209     
1 1 1 22 20 12 o 16.0076 5.35783 3.1063       3.85578  -4.2367      3.1181   13.4818     235.177     3.9682      235.177     
1 1 1 22 20 13 o 19.0324 5.71557 -0.110782    3.06949  4.93226      3.16034  18.723      157.077     4.42303     157.077     
1 1 1 22 20 14 o 14.6372 4.90951 1.0022       3.02741  -3.43002     3.08713  10.9777     335.834     2.64787     335.834     
1 1 1 22 20 15 o 17.3479 5.52946 3.03112      3.14853  -0.115185    3.26269  16.0417     164.324     6.5903      164.324     
1 1 1 22 20 16 o 18.7895 5.68456 4.69099      3.07059  0.349819     3.13496  17.4397     29.5856     1.68244     29.5857     
1 1 1 22 20 17 o 13.6037 4.6294  -2.25009     2.91862  -0.806083    2.82268  5.95882     21.0317     11.8206     201.032     
1 1 1 22 20 18 o 24.1848 6.09485 8.10944      3.11647  3.26013      3.10367  26.6491     62.5514     8.99707     62.5514     
1 1 1 22 20 19 f 13.5411 4.59968 -1.71405     2.81026  -0.925561    2.77971  2.08516     105.459     0           0           
1 1 1 22 20 20 o 22.3004 6.01722 3.08097      3.13622  6.45517      2.95824  21.3573     358.919     12.3474     358.919     
1 1 1 22 20 21 o 15.1434 4.97344 1.31338      2.84698  -0.791509    2.76812  7.63049     113.652     4.54037     293.652     
1 1 1 22 20 22 o 16.6066 5.34737 2.76538      3.17833  0.128805     2.85892  8.65434     310.149     1.99183     310.149     
1 1 1 22 20 23 o 14.4654 4.83766 0.530156     2.86486  -0.926298    2.85115  7.49019     171.696     6.02258     351.696     
1 1 1 22 20 24 o 17.9583 5.50894 4.31674      2.9573   1.56657      2.7753   13.4157     195.785     4.02625     15.7847     
1 1 1 22 20 25 o 12.4931 4.33228 -2.62225     3.18745  -1.51025     2.5311   4.90603     23.9629     10.1357     203.963     
1 1 1 22 20 26 f 14.3347 4.79893 1.46965      2.75904  -1.62867     3.04229  5.74043     254.164     0           0           
1 1 1 22 20 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 21 0  o 15.6779 7.01968 2.63208      3.64778  2.63208      3.64778  15.7157     1.24161e-05 3.03512     1.24161e-05 
1 1 1 22 21 1  o 15.9527 5.33992 0.677996     3.54736  -1.23808     3.43547  8.27213     68.8285     12.3996     248.828     
1 1 1 22 21 2  o 24.2139 6.63708 8.12093      3.83462  4.10195      3.35225  25.4853     356.277     5.87014     356.277     
1 1 1 22 21 3  o 13.0974 4.56503 -5.78266     3.65359  -2.33061     3.06008  8.24841     297.468     0.322662    117.469     
1 1 1 22 21 4  o 18.1862 5.92643 2.46902      4.00583  1.13157      3.67386  17.1954     102.378     5.31255     102.378     
1 1 1 22 21 5  o 18.3855 5.81214 3.19238      3.23003  0.792584     3.71052  16.2231     159.407     0.262892    159.407     
1 1 1 22 21 6  o 23.1608 6.38939 5.89367      3.29614  4.75011      3.31811  25.259      172.247     8.40547     172.247     
1 1 1 22 21 7  o 18.0161 5.64187 -0.291312    3.23639  3.83201      3.21899  16.3742     221.218     1.93078     221.218     
1 1 1 22 21 8  o 17.9165 5.62604 0.0420506    3.22639  3.58421      3.18309  14.0164     72.7584     8.26114     72.7584     
1 1 1 22 21 9  o 17.9336 5.55324 4.73313      3.22639  -1.76447     3.13376  15.7975     137.788     8.66599     137.788     
1 1 1 22 21 10 o 20.7355 5.98402 1.28319      3.28342  6.18222      3.22777  17.1126     280.314     4.47992     100.314     
1 1 1 22 21 11 o 26.5503 6.63599 8.26457      3.3291   6.59158      3.58136  31.1605     258.99      12.8703     258.99      
1 1 1 22 21 12 o 20.949  5.98989 6.32223      3.22163  1.62592      3.16499  19.2497     255.987     0.0287802   75.9859     
1 1 1 22 21 13 o 14.7161 4.97933 1.28587      3.39029  -3.24496     2.97453  10.043      84.6374     2.19193     84.6374     
1 1 1 22 21 14 o 20.7599 5.98651 2.4913       3.11934  5.61624      3.12618  20.6833     160.803     6.28599     160.803     
1 1 1 22 21 15 o 17.1741 5.54722 2.72486      3.53584  0.75298      2.9663   13.2216     32.1848     2.23313     32.1848     
1 1 1 22 21 16 o 17.6718 5.53501 3.02723      3.04508  1.26861      2.96287  12.5387     168.517     3.80926     168.517     
1 1 1 22 21 17 o 15.9846 5.13248 -1.74401     2.90433  2.84399      2.87375  4.99515     273.97      1.14545     273.97      
1 1 1 22 21 18 o 16.0666 5.22302 0.782049     3.06086  1.23284      2.87606  9.07928     339.033     4.23494     159.033     
1 1 1 22 21 19 o 22.9539 5.14101 10.2644      3.10341  -3.90583     2.93549  20.0369     196.805     1.94816     16.8047     
1 1 1 22 21 20 o 14.838  4.90507 -1.68574     2.88642  1.77744      2.82443  6.05287     106.333     1.01186     106.333     
1 1 1 22 21 21 o 14.1217 4.75844 -3.47693     3.4106   1.29645      2.71806  7.16112     306.558     0.583899    306.558     
1 1 1 22 21 22 o 15.8622 5.16059 1.91943      2.90771  1.29004      2.89591  9.74712     162.88      4.29214     162.88      
1 1 1 22 21 23 o 16.0893 5.20905 1.17939      2.92512  2.43184      2.91091  11.3468     349.821     5.95963     349.821     
1 1 1 22 21 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 21 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 22 0  o 26.019  8.52219 7.91909      3.77162  7.91909      3.77162  25.6396     180         2.43597     8.6515e-06  
1 1 1 22 22 1  o 14.6139 4.9811  -2.29423     3.47159  -0.437524    3.2571   6.23312     358.291     2.75303     358.291     
1 1 1 22 22 2  o 24.3785 6.3073  9.08401      3.46243  2.8725       3.37566  28.9588     163.671     14.7972     163.671     
1 1 1 22 22 3  o 17.7987 5.80379 3.33549      4.10337  0.750333     3.20849  11.0588     269.236     10.2026     89.2361     
1 1 1 22 22 4  o 18.5469 5.97831 2.6114       3.81697  2.59199      3.72847  17.2793     58.035      7.31542     58.035      
1 1 1 22 22 5  o 15.3284 5.19115 -1.77053     3.23259  0.699242     3.69758  11.3563     254.066     0.00915003  254.069     
1 1 1 22 22 6  o 20.9926 6.19119 5.93614      3.50177  2.84835      3.25406  20.4153     342.723     4.43699     342.723     
1 1 1 22 22 7  o 14.3118 4.85391 -0.264389    3.05563  -1.98719     3.13907  8.67267     67.0815     3.76877     247.082     
1 1 1 22 22 8  o 17.7337 5.61194 1.2485       3.22059  2.98907      3.14189  14.5421     71.9226     4.35416     71.9226     
1 1 1 22 22 9  o 20.5929 6.10632 3.18696      3.3904   5.10325      3.24765  14.8337     343.761     9.0707      343.761     
1 1 1 22 22 10 o 14.9305 4.96779 -3.37036     3.08343  1.87013      3.02675  8.07647     259.969     5.87236     79.9685     
1 1 1 22 22 11 o 17.6527 5.65129 3.17919      3.48286  0.936049     3.11758  11.1659     79.7596     6.58297     259.76      
1 1 1 22 22 12 o 18.0769 5.52369 4.8558       3.08156  -1.01985     3.04498  10.869      323.067     3.83585     323.067     
1 1 1 22 22 13 o 16.1351 5.21151 -2.04959     3.01122  3.14577      3.05143  5.70101     3.61325     0.826503    3.61325     
1 1 1 22 22 14 o 20.549  6.05401 4.32579      3.26647  4.20491      3.09001  17.7501     232.536     5.10001     232.536     
1 1 1 22 22 15 o 12.6137 4.36996 -3.72135     2.87783  -1.50052     2.87196  3.70726     26.7574     3.37627     206.757     
1 1 1 22 22 16 o 18.0727 5.59613 3.86072      3.01291  1.71386      3.01248  14.1729     27.4478     4.02355     27.4478     
1 1 1 22 22 17 o 16.7527 5.42546 1.59497      3.44855  2.39379      2.94056  11.6027     301.297     3.71866     301.297     
1 1 1 22 22 18 o 17.4521 5.47581 2.88947      2.93644  2.78512      2.9301   14.564      284.194     5.27807     284.194     
1 1 1 22 22 19 o 16.3266 5.2205  2.9522       2.82988  0.997351     2.84991  9.65729     339.221     5.15264     339.221     
1 1 1 22 22 20 o 13.0374 4.44763 -0.304872    2.69836  -1.64166     2.66055  4.87851     30.3367     1.89352     30.3368     
1 1 1 22 22 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 22 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 23 0  f 12.3615 5.95544 0.169812     3.48878  0.169812     3.48878  0.0306567   0.000159015 0           0           
1 1 1 22 23 1  o 18.2883 5.78853 3.55007      3.40335  1.55043      3.35125  12.8524     322.293     1.03011     322.293     
1 1 1 22 23 2  o 13.03   4.52107 -3.75256     3.19828  -1.9606      3.04577  2.96641     357.147     2.80837     177.147     
1 1 1 22 23 3  o 18.0271 5.63042 -2.13278     3.70645  4.8469       3.22247  3.00937     176.113     1.26152     176.113     
1 1 1 22 23 4  o 13.5898 4.74509 -3.03898     3.57787  -3.46252     3.63579  2.59345     215.453     1.56336     35.4532     
1 1 1 22 23 5  o 15.2106 5.15132 -1.15951     3.21994  0.334072     3.62636  5.30607     254.785     0.468952    74.7853     
1 1 1 22 23 6  o 13.3713 4.62784 -0.423805    3.08094  -6.29638     3.57724  4.17668     296.939     8.1289      116.939     
1 1 1 22 23 7  o 16.9863 5.46338 3.86437      3.32913  -1.18531     3.15108  5.66903     145.9       1.88048     145.9       
1 1 1 22 23 8  o 21.0676 6.28954 5.22403      3.79947  4.54433      3.22041  17.6276     210.838     8.31997     210.838     
1 1 1 22 23 9  o 16.132  5.24395 -2.273       3.24886  3.22586      3.09404  9.67134     178.934     0.65054     178.934     
1 1 1 22 23 10 o 16.8467 5.44436 1.18734      3.19376  2.42077      3.14374  10.1853     233.075     2.97679     233.075     
1 1 1 22 23 11 o 15.1052 5.02044 1.81899      3.02901  -1.1712      3.01934  8.71745     98.6867     0.305601    98.6866     
1 1 1 22 23 12 o 14.6038 4.927   2.65119      3.28449  -3.55726     2.93577  8.7751      170.779     1.75571     350.779     
1 1 1 22 23 13 f 17.5935 5.47081 5.20847      3.09746  -0.225584    3.01793  11.051      308.671     0           0           
1 1 1 22 23 14 o 22.4603 6.23618 5.86277      3.15573  6.42483      3.15434  23.0326     87.0631     6.76796     87.0631     
1 1 1 22 23 15 o 16.7789 5.38054 2.76841      3.06183  2.02634      2.95226  14.709      21.1295     4.23699     21.1295     
1 1 1 22 23 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 23 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 23 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 24 0  o 11.3315 5.51789 -0.114315    3.17977  -0.114315    3.17977  4.11166     180         8.65755     360         
1 1 1 22 24 1  o 16.199  5.32273 -0.444196    3.25227  3.31962      3.27866  1.98067     315.2       0.961308    315.2       
1 1 1 22 24 2  o 15.6757 5.19766 -1.49281     3.30451  3.04548      3.22837  9.41639     120.477     6.40296     300.477     
1 1 1 22 24 3  o 15.8718 5.23975 -2.47214     3.71912  3.39143      3.13727  4.70688     68.0938     2.15171     68.0938     
1 1 1 22 24 4  o 16.3204 5.37402 -0.169007    3.74693  3.03734      3.1345   12.322      17.0776     1.75631     17.0776     
1 1 1 22 24 5  o 15.2895 5.14246 2.7329       3.23517  -3.33818     3.8818   10.6751     27.3127     0.511829    207.313     
1 1 1 22 24 6  o 13.7253 4.77485 -3.36191     3.03042  0.568475     3.77233  5.14254     94.8887     1.28531     94.8887     
1 1 1 22 24 7  o 16.3461 5.3934  1.08569      3.13921  2.81795      3.51561  6.77286     258.314     3.67177     258.314     
1 1 1 22 24 8  f 15.9847 5.25611 2.12701      3.18275  1.20365      3.07372  0.551726    324.811     0           0           
1 1 1 22 24 9  o 19.7625 5.73458 0.47064      3.26706  7.13679      3.1191   15.5176     273.128     4.68842     93.1282     
1 1 1 22 24 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 24 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 24 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 24 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 25 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 25 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 25 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 22 25 3  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 0  1  o 15.274  6.63579 1.34484      3.0165   1.34484      3.0165   16.8276     90          69.345      90          
1 1 1 23 0  2  o 17.0857 7.00265 2.28461      3.00494  2.28461      3.00494  11.2139     180         14.622      8.65145e-06 
1 1 1 23 0  3  o 9.74989 4.86116 -3.12421     2.90194  -3.12421     2.90194  5.18023     270         26.1521     270         
1 1 1 23 0  4  o 86.3895 3.03237 41.5694      4.01119  41.5694      4.01119  130.082     180         57.3289     180         
1 1 1 23 0  5  o 40.2281 6.02505 10.3385      3.28276  10.3385      3.28276  59.6211     90          24.8177     90          
1 1 1 23 0  6  o 23.7967 7.7127  4.87196      3.08526  4.87196      3.08526  33.1419     180         19.4869     180         
1 1 1 23 0  7  o 23.3169 7.61229 4.68627      3.00793  4.68627      3.00793  16.6362     90          21.3047     270         
1 1 1 23 0  8  o 59.4629 3.87287 20.241       3.47335  20.241       3.47335  71.989      180         4.56325     180         
1 1 1 23 0  9  o 15.7416 6.73937 1.64169      3.01259  1.64169      3.01259  9.89497     90          14.8718     270         
1 1 1 23 0  10 o 19.8793 7.423   3.50788      3.03297  3.50788      3.03297  11.0735     180         24.2299     8.65158e-06 
1 1 1 23 0  11 o 15.1752 6.60324 1.36296      2.99792  1.36296      2.99792  10.1229     270         3.30341     270         
1 1 1 23 0  12 o 18.6849 7.18774 3.06755      2.92112  3.06755      2.92112  21.0437     180         0.110538    8.65176e-06 
1 1 1 23 0  13 f 26.8043 7.69112 5.91978      3.10861  5.91978      3.10861  40.9597     270         0           0           
1 1 1 23 0  14 o 43.5865 5.89997 12.0544      3.53983  12.0544      3.53983  70.358      180         38.9237     180         
1 1 1 23 0  15 o 22.7675 7.53242 4.59676      2.95117  4.59676      2.95117  17.7573     90          17.5582     270         
1 1 1 23 0  16 o 35.4833 6.52459 8.63145      3.08041  8.63145      3.08041  44.3127     180         5.90476     180         
1 1 1 23 0  17 o 23.8587 7.57032 4.9956       2.96863  4.9956       2.96863  25.0026     270         5.3599      90          
1 1 1 23 0  18 o 81.5318 3.1152  37.4302      3.88486  37.4302      3.88486  112.896     180         36.1026     180         
1 1 1 23 0  19 o 11.6754 5.55136 -0.704519    2.8399   -0.704519    2.8399   1.96636     270         1.97849     90.0001     
1 1 1 23 0  20 o 21.2695 7.41555 4.16629      2.90485  4.16629      2.90485  25.6139     180         3.79285     180         
1 1 1 23 0  21 o 14.0093 6.23789 0.998178     2.83611  0.998178     2.83611  8.94141     90          7.34677     270         
1 1 1 23 0  22 o 14.66   6.35747 1.46145      2.75722  1.46145      2.75722  6.58612     360         46.7858     360         
1 1 1 23 0  23 o 10.6426 5.21535 -1.8717      2.95326  -1.8717      2.95326  2.1242      270         8.35433     90          
1 1 1 23 0  24 o 39.6665 6.38319 10.7121      3.39823  10.7121      3.39823  58.5326     180         25.4655     180         
1 1 1 23 0  25 o 16.2743 6.76103 2.36773      2.86397  2.36773      2.86397  13.972      90          7.36751     270         
1 1 1 23 0  26 f 11.6252 5.49306 -0.276455    2.70317  -0.276455    2.70317  7.92665     180         0           0           
1 1 1 23 0  27 o 53.081  4.89806 17.5683      3.81522  17.5683      3.81522  83.4753     90          44.9276     90          
1 1 1 23 0  28 o 22.5729 7.98262 5.30606      3.38777  5.30606      3.38777  32.873      180         14.8365     180         
1 1 1 23 0  29 o 20.1993 7.84631 4.44299      3.51649  4.44299      3.51649  28.9613     90          15.0892     90          
1 1 1 23 0  30 o 12.3347 5.77669 0.204259     2.87921  0.204259     2.87921  9.294       8.2306e-06  2.73757     180         
1 1 1 23 0  31 o 9.78083 4.87167 -2.35015     2.89127  -2.35015     2.89127  1.17627     270         1.42398     89.9999     
1 1 1 23 0  32 o 7.88528 4.05615 -5.18085     2.80896  -5.18085     2.80896  0.621831    180         7.32436     360         
1 1 1 23 0  33 o 12.2048 5.97796 -1.16418     3.86805  -1.16418     3.86805  8.81703     270         8.38957     90          
1 1 1 23 0  34 o 14.9288 6.92359 1.6874       3.9814   1.6874       3.9814   17.3169     180         3.61706     180         
1 1 1 23 0  35 o 14.7266 6.4401  2.12656      2.88562  2.12656      2.88562  16.9656     90          6.80948     90          
1 1 1 23 0  36 o 9.01618 4.5222  -2.37556     2.63934  -2.37556     2.63934  1.08551     360         0.715811    180         
1 1 1 23 0  37 o 12.2119 5.81648 0.294343     3.14297  0.294343     3.14297  8.35686     90          8.78585     270         
1 1 1 23 0  38 o 16.2312 7.33129 3.22533      4.08287  3.22533      4.08287  11.5972     2.65e-06    7.15361     2.65e-06    
1 1 1 23 0  39 o 13.7627 6.42285 1.46657      3.5097   1.46657      3.5097   7.94732     90          1.5921      90          
1 1 1 23 0  40 o 15.3809 6.65941 2.74769      3.01435  2.74769      3.01435  12.2503     4.16619e-06 3.53447     180         
1 1 1 23 0  41 f 13.1562 6.03311 1.50629      2.90357  1.50629      2.90357  18.0595     270         0           0           
1 1 1 23 0  42 o 8.25437 4.21377 -3.43228     2.74321  -3.43228     2.74321  0.0345128   360         0.113697    180         
1 1 1 23 0  43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 1  0  o 57.1163 4.04242 18.759       3.46748  18.759       3.46748  80.3118     270         26.4868     270         
1 1 1 23 1  1  o 41.1385 5.26361 8.96042      3.17144  11.7319      3.23347  44.0083     176.02      5.17163     356.02      
1 1 1 23 1  2  o 46.945  4.71256 11.6269      3.259    14.6493      3.32889  64.142      20.9496     21.8128     20.9496     
1 1 1 23 1  3  o 49.6838 4.51668 12.984       3.31816  16.2173      3.40022  67.2608     215.853     21.23       215.853     
1 1 1 23 1  4  o 24.3624 6.10697 5.13271      3.06004  1.24051      3.01463  23.5118     171.132     3.15495     351.132     
1 1 1 23 1  5  o 27.9751 6.03918 7.73604      3.22777  1.7073       3.0332   36.6047     221.341     17.0505     221.341     
1 1 1 23 1  6  o 25.321  6.15419 1.72105      3.18018  5.44677      2.98234  25.1294     174.892     2.7568      354.892     
1 1 1 23 1  7  o 52.9789 4.22077 17.7633      3.38774  15.1144      3.35873  53.8062     156.6       14.6414     336.6       
1 1 1 23 1  8  o 57.9927 4.0239  18.4202      3.55169  20.7021      3.52864  64.5168     263.781     5.05953     83.7809     
1 1 1 23 1  9  o 27.0869 6.07631 2.57273      2.97368  6.43075      3.01477  32.1874     162.002     7.31614     162.002     
1 1 1 23 1  10 o 33.3421 6.00093 7.00548      3.12386  7.25595      3.05445  39.1838     228.191     4.51889     228.191     
1 1 1 23 1  11 o 16.9552 5.3796  -0.421149    2.96319  -0.859817    2.86722  8.34258     13.8226     4.12627     13.8226     
1 1 1 23 1  12 o 22.4002 5.92243 4.85991      3.09981  -0.440689    2.94913  26.8697     323.818     9.23654     323.818     
1 1 1 23 1  13 o 31.2706 5.93565 4.15443      3.06784  8.5426       3.02699  28.5304     44.7846     12.941      224.785     
1 1 1 23 1  14 o 18.1097 5.52422 1.56974      2.7829   -1.3542      3.03396  10.2663     101.644     16.9297     281.644     
1 1 1 23 1  15 o 32.1313 6.10866 6.08505      3.10402  7.61         3.10024  32.2135     354.134     6.96979     174.133     
1 1 1 23 1  16 o 21.5979 5.86872 0.139901     2.87103  4.19079      2.97181  9.36389     182.75      27.7607     2.74977     
1 1 1 23 1  17 o 21.4839 5.87387 0.239443     2.87828  4.08774      2.96761  23.9691     34.6957     8.81771     34.6957     
1 1 1 23 1  18 o 31.6176 5.92137 8.53988      2.983    4.88501      3.05099  31.7179     0.248482    6.10822     180.248     
1 1 1 23 1  19 o 27.0705 6.13881 3.69428      2.93955  6.14788      2.9796   31.3736     234.637     6.22453     234.637     
1 1 1 23 1  20 o 29.7199 5.39494 0.963716     3.03609  10.2815      2.98355  36.5294     207.852     9.49575     207.852     
1 1 1 23 1  21 o 13.2797 4.50274 -4.40154     2.69109  -1.87331     2.65681  5.57597     10.127      8.49491     190.127     
1 1 1 23 1  22 o 19.6591 5.82124 2.58876      2.80313  -0.423129    3.42168  17.7641     331.543     7.73041     331.543     
1 1 1 23 1  23 o 19.2135 5.79136 0.388353     2.98839  2.04239      3.0885   17.7493     247.975     0.48057     247.975     
1 1 1 23 1  24 o 29.9619 6.37495 9.61753      3.57922  3.64697      3.20826  36.6677     32.707      9.75952     32.7069     
1 1 1 23 1  25 o 16.3717 5.26519 0.414122     2.97639  -1.28053     2.86433  7.5922      314.329     3.37793     314.329     
1 1 1 23 1  26 o 31.9196 5.69284 3.85847      3.09792  10.9734      3.04734  47.1541     80.0558     26.9756     80.0558     
1 1 1 23 1  27 o 20.5706 5.60861 -3.01568     3.20315  5.57006      3.00744  24.5667     40.176      10.5217     40.176      
1 1 1 23 1  28 o 26.3833 6.72487 5.30091      3.50658  6.21035      3.49949  37.3999     89.8545     23.3114     89.8545     
1 1 1 23 1  29 o 18.5769 5.68847 -1.11689     3.27426  3.11153      3.07432  20.3713     138.32      6.62107     138.32      
1 1 1 23 1  30 o 22.2183 6.00541 4.60245      2.98685  2.79054      2.78947  21.4094     216.716     15.8822     216.716     
1 1 1 23 1  31 o 16.7526 5.41886 -1.64464     3.22707  1.52118      3.17837  14.8663     139.714     5.64913     139.714     
1 1 1 23 1  32 o 18.9826 5.80179 3.327        3.21457  0.599413     3.10976  21.1523     330.081     7.67722     330.081     
1 1 1 23 1  33 o 19.3359 6.0608  1.8389       3.27447  2.90074      3.87743  22.0048     352.779     6.89329     352.779     
1 1 1 23 1  34 o 21.0664 6.36631 2.84542      3.30553  4.87522      3.99539  26.636      355.685     14.2835     355.685     
1 1 1 23 1  35 o 17.6622 5.70666 -3.01409     3.30568  4.51506      3.86686  18.1772     289.589     2.96433     289.589     
1 1 1 23 1  36 o 16.4434 5.46553 -3.10571     3.16067  3.1841       3.88139  10.4564     301.392     6.35168     301.392     
1 1 1 23 1  37 o 20.7589 5.96843 4.51266      3.04599  3.42623      2.95007  25.4249     227.157     15.5053     227.157     
1 1 1 23 1  38 o 15.872  5.15996 0.819699     2.88759  0.726261     2.89516  14.4608     322.604     0.113125    322.603     
1 1 1 23 1  39 o 19.1412 5.65299 5.47267      3.06228  0.0459074    2.97239  16.2132     3.61675     4.59962     183.617     
1 1 1 23 1  40 o 13.7592 4.65098 -3.64935     2.9544   0.604317     2.77997  5.5708      191.561     1.02772     11.5612     
1 1 1 23 1  41 o 19.5759 6.03546 4.95109      3.85946  3.25288      2.97865  19.7914     26.9014     7.96516     26.9014     
1 1 1 23 1  42 o 17.491  5.43995 -1.23735     3.83971  4.72512      2.83307  17.7842     331.93      7.37131     331.93      
1 1 1 23 1  43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 2  0  o 51.062  4.43837 15.2699      3.3487   15.2699      3.3487   70.081      90          20.3251     90          
1 1 1 23 2  1  o 37.8418 5.58541 10.6216      3.16293  7.23962      3.14644  36.287      140.236     12.7712     320.236     
1 1 1 23 2  2  o 18.5954 5.56825 2.23082      2.93549  -2.21672     2.94792  15.2387     156.52      1.83367     156.52      
1 1 1 23 2  3  o 21.1276 6.03782 2.00461      3.00202  1.44814      3.08644  7.54261     50.5498     29.6132     230.55      
1 1 1 23 2  4  o 66.3184 3.53192 25.9772      3.5976   24.2628      3.56082  80.1107     291.153     6.50404     291.153     
1 1 1 23 2  5  o 50.8774 4.86567 12.4557      3.74701  18.7072      3.4269   60.4715     273.335     4.28674     273.335     
1 1 1 23 2  6  o 23.9707 6.24073 3.42688      3.04392  2.96782      3.02376  14.5287     196.884     22.4676     16.8835     
1 1 1 23 2  7  o 23.8228 6.1985  2.40297      3.02563  3.84842      3.00906  19.1293     297.475     12.1735     117.475     
1 1 1 23 2  8  o 47.2982 4.66162 13.0017      3.30231  13.7013      3.30146  66.2571     177.928     24.953      177.928     
1 1 1 23 2  9  o 23.796  6.29375 3.61116      3.02721  2.56166      3.22906  6.59906     41.0494     39.1196     221.049     
1 1 1 23 2  10 o 60.5627 3.79382 19.1458      3.4569   23.4081      3.51981  70.4468     142.471     0.75386     142.471     
1 1 1 23 2  11 o 45.5695 4.80068 12.022       3.32472  13.0654      3.19235  54.8344     241.941     5.43298     241.941     
1 1 1 23 2  12 o 21.6458 5.89912 0.174757     2.98217  3.86315      2.91088  24.4025     89.2681     5.12941     89.2681     
1 1 1 23 2  13 o 20.8885 6.02815 2.28075      2.8878   1.0767       3.31004  19.1428     277.972     4.75175     97.9724     
1 1 1 23 2  14 o 15.2009 5.00152 -3.39391     2.82146  -0.653326    2.92659  11.0448     174.031     4.53308     354.031     
1 1 1 23 2  15 o 62.1054 3.74199 24.9096      3.54889  20.2513      3.50872  76.2847     252.441     9.37516     252.441     
1 1 1 23 2  16 o 19.9873 5.82631 2.70755      3.04773  0.0973312    2.87613  20.0679     165.867     9.59267     165.867     
1 1 1 23 2  17 o 18.4171 5.59172 1.23997      2.8734   0.129654     2.84904  11.7256     254.355     5.87202     254.355     
1 1 1 23 2  18 f 30.8692 5.80016 9.22015      3.01414  3.54253      3.0063   33.047      275.895     0           0           
1 1 1 23 2  19 o 19.6478 5.61695 -0.751408    2.77745  3.34293      2.84075  16.0571     293.361     6.49197     113.361     
1 1 1 23 2  20 o 26.5452 5.40165 8.539        2.94268  -0.356994    2.90364  28.7863     217.775     1.38715     217.775     
1 1 1 23 2  21 o 30.227  5.92943 8.8539       3.09756  3.62596      2.98108  34.7501     31.2693     4.62722     31.2693     
1 1 1 23 2  22 o 17.5131 5.45443 -0.233063    2.85047  0.755109     2.8843   14.2535     243.033     2.73694     243.033     
1 1 1 23 2  23 o 22.5751 6.29187 3.81913      3.34737  2.36942      3.11242  16.7684     8.90623     13.4663     188.906     
1 1 1 23 2  24 o 22.7313 6.19693 2.07185      3.1849   4.41072      3.0976   22.4362     183.008     1.20228     3.00814     
1 1 1 23 2  25 o 35.6906 5.88436 13.0432      3.29585  5.47967      3.43181  40.7225     113.34      2.67627     113.34      
1 1 1 23 2  26 o 19.7218 5.64886 3.47337      2.7791   0.492011     2.76659  15.9024     251.77      8.48559     71.77       
1 1 1 23 2  27 o 20.5527 6.05257 3.07886      3.26481  1.89558      3.09568  17.948      14.5441     6.40185     194.544     
1 1 1 23 2  28 o 16.7993 5.43905 1.59472      3.28833  -2.75344     3.25162  13.9276     347.673     5.40918     167.673     
1 1 1 23 2  29 o 14.5946 4.91375 -1.60557     2.99746  -2.3079      3.08511  11.7743     137.647     3.46796     137.647     
1 1 1 23 2  30 o 18.267  5.67621 3.21356      3.18193  -2.11032     3.46212  18.9714     35.9869     5.59567     35.987      
1 1 1 23 2  31 o 15.9251 5.27871 -0.0326768   3.34294  -1.4823      3.17847  8.1956      65.3627     15.1062     245.363     
1 1 1 23 2  32 o 14.8111 4.90455 -0.886809    2.86917  -0.723009    2.73669  11.0219     145.946     4.92423     145.946     
1 1 1 23 2  33 o 20.7497 5.94158 4.34279      2.86432  2.12865      3.2615   26.7892     316.678     16.2518     316.678     
1 1 1 23 2  34 o 17.3728 5.43672 -0.00342105  2.97689  2.56385      2.9026   9.46381     223.296     17.2367     43.2958     
1 1 1 23 2  35 o 15.359  5.06569 -1.62319     2.91271  1.07917      3.02358  12.8543     298.761     3.48615     118.761     
1 1 1 23 2  36 o 21.755  6.20099 6.68252      3.32032  1.19258      3.88364  26.0233     293.316     9.55504     293.316     
1 1 1 23 2  37 o 18.9974 5.84364 4.78174      3.32502  0.489385     3.3616   18.5244     9.01801     12.1815     9.01801     
1 1 1 23 2  38 o 15.6566 5.11712 1.45144      2.87595  -0.536963    2.99248  13.9516     299.198     0.119195    299.198     
1 1 1 23 2  39 o 19.4803 5.76234 4.64443      2.99106  1.93871      2.94231  18.641      76.8233     1.08986     76.8232     
1 1 1 23 2  40 o 22.3306 6.32958 3.56807      3.52779  7.02517      3.39323  24.2789     17.6889     11.3206     17.6889     
1 1 1 23 2  41 o 16.1224 5.23462 2.55649      3.10489  0.187986     2.83321  13.0221     354.233     3.18883     354.233     
1 1 1 23 2  42 o 23.1322 6.23466 6.0705       3.11974  6.67614      3.05921  29.3748     337.553     15.5028     337.553     
1 1 1 23 2  43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 3  0  o 14.4004 6.38371 0.92445      2.93492  0.92445      2.93492  7.20845     270         13.9775     89.9999     
1 1 1 23 3  1  o 49.5086 4.5316  13.8959      3.37663  15.0859      3.36392  59.0914     203.501     4.8475      203.501     
1 1 1 23 3  2  o 30.6652 6.27495 5.55082      3.13648  6.47524      3.1403   33.8014     193.687     1.1852      193.687     
1 1 1 23 3  3  o 66.1603 3.61149 25.6784      3.66294  24.439       3.63754  82.2438     12.3072     11.3166     12.3072     
1 1 1 23 3  4  o 48.2186 4.59242 13.1604      3.34722  14.4288      3.28735  57.501      173.625     4.73214     173.625     
1 1 1 23 3  5  o 30.6968 6.30519 6.21905      3.16365  5.88         3.15081  21.3359     160.242     25.6542     340.242     
1 1 1 23 3  6  o 67.6775 3.88058 24.6097      4.23008  28.334       3.69965  79.0462     212.334     1.23958     212.334     
1 1 1 23 3  7  o 27.8677 6.37184 4.2489       3.20844  5.54763      3.07639  38.0258     261.471     21.11       261.471     
1 1 1 23 3  8  o 54.7754 4.10884 17.0575      3.39101  18.0247      3.43354  77.7429     280.928     29.8317     280.928     
1 1 1 23 3  9  o 30.9152 6.13334 5.37447      3.11556  6.95429      3.00808  46.1905     213.933     28.9369     213.933     
1 1 1 23 3  10 o 22.7091 5.78508 5.1491       2.93235  -0.503539    2.90894  27.154      336.995     9.16565     336.995     
1 1 1 23 3  11 o 30.9508 6.02446 3.84756      3.17358  8.50336      3.07583  23.6556     139.002     22.1789     319.002     
1 1 1 23 3  12 o 21.7323 5.96537 0.890133     2.99605  3.49788      2.90244  26.1301     326.347     10.7634     326.347     
1 1 1 23 3  13 o 20.0555 5.80196 0.559477     2.87602  2.37692      2.896    19.6461     91.2785     0.610603    271.278     
1 1 1 23 3  14 o 18.3369 5.49881 2.40308      2.89018  -2.00306     2.85824  11.1936     127.14      15.2052     307.14      
1 1 1 23 3  15 o 26.9424 6.11466 1.7044       3.35815  7.11568      3.05603  22.7538     84.2487     13.1907     264.249     
1 1 1 23 3  16 o 20.1447 5.82583 2.72694      2.9506   0.347606     2.91507  18.9873     351.045     1.05077     171.045     
1 1 1 23 3  17 o 20.4536 5.86266 1.03491      3.01291  2.57112      2.81833  15.422      1.30428     10.6297     181.304     
1 1 1 23 3  18 o 36.7082 5.90415 11.8459      3.48591  6.41828      3.14365  42.1793     216.505     2.96611     216.505     
1 1 1 23 3  19 o 24.8997 6.28532 4.50482      3.15813  3.60038      2.9352   29.8067     209.163     10.8672     209.163     
1 1 1 23 3  20 o 18.794  5.5692  -0.791518    2.79727  2.56627      2.85639  16.1764     261.235     2.25135     81.2346     
1 1 1 23 3  21 o 22.9475 5.76994 0.248875     2.85325  5.53342      2.87996  24.3177     4.3007      3.12235     4.3007      
1 1 1 23 3  22 o 16.8778 5.34453 -0.20239     2.87628  -0.0771357   2.84763  8.21972     199.45      16.4559     19.4495     
1 1 1 23 3  23 o 27.8787 6.28978 2.90566      3.22844  8.09838      3.32687  34.7589     359.042     11.9379     359.042     
1 1 1 23 3  24 o 17.6843 5.5245  1.14588      2.93297  -0.308882    3.02305  15.6282     323.709     4.84626     323.709     
1 1 1 23 3  25 o 22.6623 6.25683 2.89796      3.01557  4.0748       3.30544  11.7274     303.187     24.9694     123.187     
1 1 1 23 3  26 o 18.6015 5.6642  0.997379     2.87134  1.7315       3.01025  13.059      96.7514     11.7495     276.751     
1 1 1 23 3  27 o 16.46   5.36981 0.128988     3.13343  -1.23497     3.23929  6.99823     326.229     19.8449     146.229     
1 1 1 23 3  28 o 21.8252 6.40684 -1.69267     3.95262  6.36805      3.9542   24.426      80.0217     4.90996     80.0217     
1 1 1 23 3  29 o 16.9762 5.59058 -2.37143     3.89406  0.66684      3.40074  16.6293     241.26      5.6642      241.26      
1 1 1 23 3  30 o 30.1186 6.99194 6.6171       3.49592  9.63106      4.0334   33.973      232.98      3.67654     232.98      
1 1 1 23 3  31 o 19.9274 5.83574 3.30872      3.00532  2.05573      2.86856  20.8607     107.19      2.98705     107.19      
1 1 1 23 3  32 o 16.5363 5.26426 1.81435      2.87669  -0.887353    2.8743   15.0591     213.249     1.58294     33.249      
1 1 1 23 3  33 o 13.4041 4.58304 -1.1849      2.74231  -4.2422      3.15367  10.1166     6.75312     5.22561     186.753     
1 1 1 23 3  34 o 15.8754 5.12693 1.70792      2.85527  -1.31977     2.85636  16.5325     93.8778     6.07455     93.8778     
1 1 1 23 3  35 f 23.029  5.78403 0.738147     3.04497  7.80448      3.03886  18.2206     21.1154     0           0           
1 1 1 23 3  36 o 17.7943 5.24669 -2.644       2.85463  4.72221      2.7684   18.0419     326.538     11.1439     326.538     
1 1 1 23 3  37 o 16.1466 5.31941 2.47508      3.32485  -2.10489     3.32045  15.9704     314.045     5.20831     314.045     
1 1 1 23 3  38 o 20.1423 5.96041 0.368933     3.36779  6.37184      3.38713  22.7612     296.452     8.91412     296.452     
1 1 1 23 3  39 o 14.8727 5.00887 -1.6718      3.18249  0.440887     3.17333  9.94584     50.2965     0.56448     230.296     
1 1 1 23 3  40 o 14.7681 4.88404 -0.505379    2.76489  0.668337     2.77825  8.17797     215.299     0.539869    215.299     
1 1 1 23 3  41 o 14.5409 4.84488 0.707371     2.78748  -0.368806    2.84953  10.3651     37.8976     1.10656     37.8975     
1 1 1 23 3  42 o 13.8911 4.67643 1.72471      2.79186  -3.18786     2.92851  10.1254     312.578     3.58098     312.578     
1 1 1 23 3  43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 4  0  o 13.4916 6.18338 0.201533     3.04409  0.201533     3.04409  1.35719     90          32.6691     90          
1 1 1 23 4  1  o 32.2874 5.5974  10.9715      3.15276  2.15571      3.09639  33.145      187.33      5.18413     7.3299      
1 1 1 23 4  2  o 19.2682 5.84387 0.0584722    2.93088  1.07933      3.27911  16.9343     272.549     5.93319     272.549     
1 1 1 23 4  3  o 21.5685 6.00584 3.52465      2.97597  -0.175631    3.24001  4.66594     28.4005     37.2477     208.4       
1 1 1 23 4  4  f 34.4977 5.96041 5.96568      3.17264  9.2529       3.18595  48.2172     355.146     0           0           
1 1 1 23 4  5  o 32.8436 6.10756 5.42279      3.17957  8.46119      3.18236  38.9974     347.999     5.94412     347.999     
1 1 1 23 4  6  o 25.5835 6.08338 1.44267      3.13567  5.96976      3.00565  26.7665     296.172     0.551843    116.172     
1 1 1 23 4  7  o 31.2352 5.85736 3.04664      3.08168  9.39412      3.13214  42.4616     31.5833     17.8807     31.5833     
1 1 1 23 4  8  f 46.7505 4.71288 12.5952      3.30998  13.6576      3.276    35.5375     198.518     0           0           
1 1 1 23 4  9  o 23.9836 6.1912  4.19848      3.048    2.36581      2.97383  29.943      131.969     19.79       131.969     
1 1 1 23 4  10 o 53.4875 4.34756 17.6497      3.6087   16.2796      3.42363  54.6701     187.197     13.993      7.19733     
1 1 1 23 4  11 o 30.4436 6.12101 3.95878      3.26877  8.03619      3.0498   27.9875     206.657     11.7264     26.6569     
1 1 1 23 4  12 o 58.9533 3.89864 21.6093      3.55965  19.1291      3.43238  70.1251     65.6722     4.40334     65.6722     
1 1 1 23 4  13 o 23.6908 5.96567 0.140182     3.19187  5.50591      2.96534  26.2574     269.104     3.63012     269.104     
1 1 1 23 4  14 o 18.7457 5.7037  0.145522     3.10306  1.11524      2.88105  15.3512     209.882     7.80947     209.882     
1 1 1 23 4  15 o 26.5365 6.54806 5.65553      3.57137  3.67821      3.02688  35.2379     347.943     21.8117     347.943     
1 1 1 23 4  16 o 27.8026 6.24656 4.79906      3.01446  5.60977      3.0113   29.6845     231.129     0.132558    231.128     
1 1 1 23 4  17 o 40.2755 5.31176 11.6177      3.17308  9.18685      3.15916  43.6154     293.77      3.24189     113.77      
1 1 1 23 4  18 o 25.2381 6.20188 5.28925      2.93308  2.8879       3.14999  26.7263     20.1108     1.34595     20.1109     
1 1 1 23 4  19 o 48.8272 4.49735 15.2263      3.28122  14.008       3.31218  68.2932     320.532     26.6402     320.532     
1 1 1 23 4  20 o 14.3819 4.79761 -2.50679     2.78901  -1.84406     2.7557   7.80062     344.698     5.88128     164.698     
1 1 1 23 4  21 o 59.6534 4.1702  20.2276      3.65641  22.9699      3.90474  83.7986     261.342     32.1986     261.342     
1 1 1 23 4  22 o 17.3077 5.54437 0.100146     3.20726  -0.835912    3.16916  8.1322      102.291     17.9621     282.291     
1 1 1 23 4  23 o 21.7902 6.12418 1.6976       3.2135   3.75756      3.0592   23.8858     281.265     6.80676     281.265     
1 1 1 23 4  24 o 20.7756 5.83295 -0.840333    3.05717  4.72165      3.09302  22.9798     152.753     8.37452     152.753     
1 1 1 23 4  25 o 17.4548 5.42396 2.02814      2.91308  -1.2949      2.90368  16.6399     151.596     4.908       151.596     
1 1 1 23 4  26 o 28.4126 6.79241 4.62036      3.6973   8.47661      3.65818  24.5989     96.7193     12.4572     276.719     
1 1 1 23 4  27 o 24.668  7.12541 8.88566      4.83367  0.122385     4.47773  24.4779     38.3804     2.80169     218.38      
1 1 1 23 4  28 o 18.0045 5.89544 1.0058       3.84697  -1.37416     3.97156  12.4972     112.029     11.5803     292.029     
1 1 1 23 4  29 o 15.0889 4.96039 0.573148     2.72392  -3.37862     3.10479  12.7287     189.884     3.02948     189.884     
1 1 1 23 4  30 o 22.1402 6.16345 3.24814      2.91728  4.37699      3.25324  21.3597     126.366     2.40975     306.366     
1 1 1 23 4  31 o 18.55   5.66885 1.57669      2.87885  2.1645       3.04932  11.3034     25.6119     7.66293     25.6119     
1 1 1 23 4  32 o 17.4026 5.35254 -1.17958     2.81468  3.2039       2.85867  12.3425     188.804     10.945      8.80422     
1 1 1 23 4  33 o 17.1108 5.30575 3.54822      2.92837  -2.58907     2.96277  19.4215     69.5402     8.15115     69.5402     
1 1 1 23 4  34 o 17.0971 5.24211 -4.41182     3.32787  3.8804       2.7984   18.3092     257.162     4.84019     257.162     
1 1 1 23 4  35 o 18.6504 5.82798 5.215        3.74796  -0.624369    2.94949  15.7774     290.17      5.86236     110.17      
1 1 1 23 4  36 o 15.1507 4.97066 -1.19586     2.80935  1.1496       2.80707  13.9029     12.5102     1.34588     12.5102     
1 1 1 23 4  37 o 19.753  5.70986 5.02375      2.90659  1.50329      2.8594   23.34       331.705     10.1747     331.705     
1 1 1 23 4  38 o 14.3342 4.77994 0.829696     2.75243  -2.10941     2.8424   10.6649     323.483     0.0365833   323.484     
1 1 1 23 4  39 o 20.667  6.18088 4.99035      3.37158  3.58547      3.46253  20.065      15.5228     9.90303     15.5228     
1 1 1 23 4  40 o 16.0734 5.3247  -0.615551    3.32741  1.98164      3.34808  10.7654     52.371      2.86715     52.371      
1 1 1 23 4  41 o 16.8116 5.34446 1.33097      2.8606   3.10221      2.95756  10.9485     240.533     5.96102     240.533     
1 1 1 23 4  42 o 16.2994 5.17974 4.16092      2.90089  -1.1415      2.8926   16.712      172.565     6.68284     172.565     
1 1 1 23 4  43 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 5  0  o 22.0809 7.65177 4.3163       3.08534  4.3163       3.08534  25.0474     90          0.593124    270         
1 1 1 23 5  1  o 24.2604 6.28901 3.53568      3.06987  3.17304      3.08019  15.7643     220.93      20.7626     40.9303     
1 1 1 23 5  2  o 24.539  6.28056 2.72733      3.0537   4.20675      3.09791  21.5619     309.213     8.93864     129.213     
1 1 1 23 5  3  o 22.2338 6.00484 0.182054     3.0385   4.15236      3.04143  11.3523     346.363     25.03       166.363     
1 1 1 23 5  4  o 20.689  6.00099 1.54239      3.03219  1.56158      3.07921  17.0248     267.005     8.07803     87.0054     
1 1 1 23 5  5  o 31.4224 6.22074 5.75656      3.12443  7.04448      3.15467  45.8912     286.143     26.2144     286.143     
1 1 1 23 5  6  o 30.0771 6.42113 7.20215      3.20514  4.48183      3.40609  35.7573     18.8927     6.41788     18.8927     
1 1 1 23 5  7  o 30.5906 6.59707 7.24614      3.42942  5.05171      3.43344  36.237      207.093     5.99607     207.093     
1 1 1 23 5  8  o 24.0154 6.21631 5.03015      3.24011  1.30989      3.02547  30.2026     159.233     12.4806     159.233     
1 1 1 23 5  9  o 51.1093 4.62772 13.5953      3.60888  17.8665      3.38355  53.6316     255.388     10.1831     75.3878     
1 1 1 23 5  10 o 33.8928 6.0735  6.56792      3.30628  8.45284      3.08951  33.3644     113.37      9.11933     293.37      
1 1 1 23 5  11 o 21.5965 5.98719 3.79231      3.11395  0.476132     2.89828  19.1926     280.2       6.46457     100.2       
1 1 1 23 5  12 o 50.8814 4.66633 19.3568      3.75824  12.4104      3.31134  52.1432     31.1587     12.2593     211.159     
1 1 1 23 5  13 o 15.3623 5.02148 -0.392782    2.85749  -3.01609     2.80573  10.8627     236.441     4.11248     56.4414     
1 1 1 23 5  14 o 27.5918 6.13426 6.8576       3.06869  3.1324       3.00582  18.3094     302.769     23.9413     122.769     
1 1 1 23 5  15 o 41.4219 5.41117 7.82032      3.16498  14.5448      3.43611  30.0857     1.6787      33.7607     181.679     
1 1 1 23 5  16 o 22.6644 6.05605 4.03344      2.9459   1.81898      2.96561  25.0331     296.511     14.1821     296.511     
1 1 1 23 5  17 o 15.5477 5.06869 -3.5407      2.85857  0.165161     2.92721  7.17028     25.6614     14.5588     205.661     
1 1 1 23 5  18 o 64.8224 3.86416 25.4625      3.61577  24.386       3.99929  78.5135     336.46      8.80782     336.46      
1 1 1 23 5  19 o 29.7863 6.26984 6.9804       3.09889  5.29489      3.13391  34.1647     245.574     5.02424     245.574     
1 1 1 23 5  20 o 30.9906 6.14712 7.41326      2.99849  5.89985      3.15731  38.0251     242.649     10.2209     242.649     
1 1 1 23 5  21 o 25.8914 6.333   5.0456       3.05961  4.28781      3.1039   24.2691     228.545     5.94867     48.545      
1 1 1 23 5  22 o 33.5113 5.80759 11.9113      3.27417  4.05779      3.18745  40.0141     240.769     7.12104     240.769     
1 1 1 23 5  23 o 26.1117 6.65146 3.0376       3.22258  7.14441      3.7836   30.0591     327.771     6.65896     327.771     
1 1 1 23 5  24 o 21.1682 6.6129  2.04389      3.5385   1.71015      5.01596  14.8525     55.0342     13.8462     235.034     
1 1 1 23 5  25 o 16.5842 5.44978 -0.984831    3.29213  -0.730024    3.41525  8.83615     168.956     15.5021     348.956     
1 1 1 23 5  26 o 22.3626 6.25114 -0.653777    3.55259  6.384        3.59064  23.5794     296.971     1.31754     296.971     
1 1 1 23 5  27 o 28.3181 6.49011 12.131       4.18652  0.462394     3.69203  36.6662     335.694     13.6086     335.694     
1 1 1 23 5  28 o 17.4231 5.54135 1.23635      3.02144  -0.25496     3.2689   16.7619     4.24904     8.30596     4.24904     
1 1 1 23 5  29 o 14.7365 4.91195 -0.783116    2.80562  -1.93384     3.00777  11.7145     214.239     0.395322    34.2392     
1 1 1 23 5  30 o 30.1549 6.29366 6.51202      3.23878  8.52075      3.10534  36.3935     354.239     8.53749     354.239     
1 1 1 23 5  31 o 26.9683 6.66875 7.74506      3.71184  5.54085      3.11667  30.7397     242.84      4.72447     242.84      
1 1 1 23 5  32 o 13.7338 4.62707 -0.459636    2.71485  -2.9275      2.74684  9.93646     347.819     4.98377     347.819     
1 1 1 23 5  33 o 19.2188 5.72298 2.85848      2.87795  2.48361      2.89691  15.5024     332.907     8.70306     152.907     
1 1 1 23 5  34 o 15.6686 5.09355 0.447617     2.81128  0.234306     2.82314  14.9564     87.4634     1.58051     87.4634     
1 1 1 23 5  35 o 26.6458 6.19115 8.32206      3.03538  4.84926      3.15418  29.5567     342.101     2.98993     342.101     
1 1 1 23 5  36 o 17.5378 5.56196 2.65999      3.33557  1.18916      2.86855  11.3994     297.232     12.6465     117.232     
1 1 1 23 5  37 o 15.6719 5.08469 -1.22712     2.89939  2.05477      2.83676  11.3172     247.239     5.96857     247.239     
1 1 1 23 5  38 f 12.4619 4.31161 -3.42506     2.77654  -1.86413     2.76216  6.32465     168.427     0           0           
1 1 1 23 5  39 o 13.9667 4.70434 -0.425935    2.83152  -1.11718     2.74648  5.71521     51.4467     0.682724    231.447     
1 1 1 23 5  40 o 14.3347 4.88514 -0.672164    3.225    -1.01567     3.19353  6.8386      230.537     1.44295     230.537     
1 1 1 23 5  41 f 14.9593 5.04908 -1.1813      3.16797  1.81347      3.34102  13.1587     3.85349     0           0           
1 1 1 23 5  42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 6  0  o 34.2083 6.97817 8.23118      3.18791  8.23118      3.18791  55.5257     90          31.3997     90          
1 1 1 23 6  1  o 24.5352 6.36318 2.24241      3.06845  4.65104      3.32073  27.7721     186.023     5.07057     186.023     
1 1 1 23 6  2  o 22.3356 6.06358 4.02236      3.05257  0.520454     3.09459  24.5348     352.136     4.39791     352.136     
1 1 1 23 6  3  o 23.7229 6.3406  3.00097      3.28081  3.19017      3.06561  11.6978     298.927     28.2813     118.927     
1 1 1 23 6  4  o 26.491  6.24123 1.98267      3.30295  6.32309      3.10678  32.9328     48.1129     10.54       48.1129     
1 1 1 23 6  5  o 23.09   6.27525 3.08987      3.24813  2.56858      3.02859  21.9092     253.374     4.70489     73.3742     
1 1 1 23 6  6  o 50.6382 4.62709 16.0846      3.63203  14.6932      3.41661  70.0284     202.324     24.4936     202.324     
1 1 1 23 6  7  o 17.5234 5.51863 -1.18818     3.11405  0.300299     2.95092  14.7858     60.4183     7.16729     60.4183     
1 1 1 23 6  8  o 50.4468 4.53205 13.2198      3.41233  17.437       3.39222  59.0023     180.916     2.58761     180.916     
1 1 1 23 6  9  o 22.614  6.23969 3.53863      3.14467  1.62179      3.23021  25.0395     118.151     4.69382     118.151     
1 1 1 23 6  10 o 20.3058 5.89356 2.29705      2.96252  0.80913      2.99251  18.41       169.835     11.1646     169.835     
1 1 1 23 6  11 o 31.7225 6.36162 7.8574       3.15232  5.64807      3.46656  31.3345     187.554     7.18872     7.55446     
1 1 1 23 6  12 o 18.2575 5.61824 0.742839     2.98517  0.0556042    2.92873  16.403      43.3938     5.83017     43.3938     
1 1 1 23 6  13 o 15.8771 5.16897 -2.79972     2.89764  -0.201337    3.00448  9.79833     15.7749     2.075       15.7749     
1 1 1 23 6  14 o 35.4881 6.03581 8.34795      3.21051  8.49509      3.3055   36.2121     205.758     6.21116     25.7584     
1 1 1 23 6  15 o 19.4923 5.79276 0.351528     2.89577  2.13511      3.05031  18.1153     18.2662     0.852886    18.2662     
1 1 1 23 6  16 o 20.6393 5.80824 -0.301038    2.97389  3.718        2.92931  21.3613     232.137     7.07816     232.137     
1 1 1 23 6  17 o 21.1269 5.9711  1.90041      2.97075  2.6174       2.91997  17.4774     298.053     7.33375     118.053     
1 1 1 23 6  18 o 15.444  5.04073 -0.846456    2.8224   -1.72669     2.78225  3.5557      246.601     0.842899    246.601     
1 1 1 23 6  19 o 23.7577 6.17923 3.74257      2.96545  3.51365      2.97786  20.4181     334.3       8.29062     154.3       
1 1 1 23 6  20 o 23.9957 6.35707 1.2295       3.06045  6.0724       3.59245  23.1522     300.354     2.7235      120.354     
1 1 1 23 6  21 o 19.5472 5.80954 1.93782      2.94662  1.23393      2.99602  19.004      294.991     2.94671     294.991     
1 1 1 23 6  22 o 22.5445 6.4452  3.29088      3.39577  3.02885      3.5388   16.8147     94.8985     13.158      274.899     
1 1 1 23 6  23 o 24.078  6.53848 2.86619      3.51666  5.31429      3.44032  24.9425     168.257     0.675575    168.257     
1 1 1 23 6  24 o 21.5442 6.14085 5.42644      3.48988  -0.654105    3.35595  22.3265     345.655     1.7015      345.655     
1 1 1 23 6  25 o 20.9747 6.35897 0.211945     3.82006  4.16783      3.77846  24.6043     176.823     12.2738     176.823     
1 1 1 23 6  26 o 24.7119 6.22467 3.05915      3.11947  6.28055      3.09664  34.5504     162.481     21.9982     162.481     
1 1 1 23 6  27 o 19.0886 5.89772 1.61153      3.50683  1.64879      3.06656  19.3821     19.277      11.6287     19.277      
1 1 1 23 6  28 o 16.1151 5.41055 -0.393578    3.9702   -2.24236     3.17926  10.176      59.1411     11.0031     239.141     
1 1 1 23 6  29 o 26.3458 6.16572 2.64806      3.11762  8.64544      3.29921  33.9771     12.2502     14.6117     12.2502     
1 1 1 23 6  30 o 25.5617 6.32755 5.51656      3.09854  5.65843      3.04848  30.8544     264.209     9.04502     264.209     
1 1 1 23 6  31 o 21.6386 5.68086 -0.00520481  2.94622  6.41082      2.91699  27.8433     106.112     13.4424     106.112     
1 1 1 23 6  32 o 20.4535 5.90923 4.4358       2.97894  1.97321      3.08611  13.2206     218.084     16.7661     38.0838     
1 1 1 23 6  33 o 26.664  6.1723  8.92039      3.09874  3.74861      3.49411  30.9965     88.0863     5.76327     88.0863     
1 1 1 23 6  34 o 15.2676 4.99999 1.35684      2.77001  -1.90156     2.98874  8.40777     16.8327     4.8052      16.8327     
1 1 1 23 6  35 o 16.3539 5.2248  1.19324      2.77182  0.961224     2.83927  15.3675     298.464     7.86665     298.464     
1 1 1 23 6  36 o 22.0209 6.02776 5.63862      2.95817  3.66509      2.96322  28.2371     317.42      16.1888     317.42      
1 1 1 23 6  37 o 17.041  5.3421  2.86493      2.83718  0.525688     2.83258  15.9533     177.256     6.16078     177.256     
1 1 1 23 6  38 o 14.7644 4.89249 -0.565755    2.86169  0.400184     2.75274  9.47089     224.281     2.59349     44.2806     
1 1 1 23 6  39 o 15.0089 4.93264 -1.57523     2.79896  1.77015      2.82197  5.31579     55.9979     1.45275     55.9979     
1 1 1 23 6  40 o 13.3574 4.54415 0.00575187   2.78179  -1.96724     2.72928  8.25118     334.134     4.44267     154.134     
1 1 1 23 6  41 o 14.7611 5.00134 0.90551      3.23685  -0.499425    3.29015  3.24861     300.591     1.83026     300.591     
1 1 1 23 6  42 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 7  0  o 14.7284 6.64348 0.775943     3.33896  0.775943     3.33896  2.85445     89.9998     1.24261     89.9998     
1 1 1 23 7  1  o 18.8645 5.67759 -2.21229     3.18736  2.32909      2.99624  19.9814     135.408     7.91377     135.408     
1 1 1 23 7  2  f 40.4369 5.64551 8.56673      3.45658  12.2199      3.30067  56.8304     192.763     0           0           
1 1 1 23 7  3  o 40.0453 5.70937 10.0845      3.49057  10.2887      3.30565  52.5258     74.8046     15.3534     74.8046     
1 1 1 23 7  4  o 35.3636 5.96821 9.30438      3.2085   6.96184      3.23671  43.8968     334.02      9.41738     334.02      
1 1 1 23 7  5  o 17.2184 5.43666 0.457607     2.98733  -1.52307     2.95257  15.6488     45.2768     5.20614     45.2768     
1 1 1 23 7  6  o 21.21   6.0144  1.27293      3.04267  2.70725      2.993    23.5729     273.328     6.44154     273.328     
1 1 1 23 7  7  o 29.3895 6.54011 5.6629       3.54935  5.88821      3.08083  26.2508     151.478     11.8742     331.478     
1 1 1 23 7  8  o 32.0084 6.21396 8.00063      3.19777  5.67601      3.18334  44.8465     89.3288     21.696      89.3288     
1 1 1 23 7  9  o 21.1435 5.99675 3.45416      3.04941  0.059526     3.17541  14.6242     134.972     14.842      314.972     
1 1 1 23 7  10 o 27.2801 6.29674 2.98316      3.12485  6.72542      3.21941  16.3852     331.131     26.9932     151.131     
1 1 1 23 7  11 o 21.2056 6.06258 2.27812      3.0578   1.90033      3.0768   22.91       183.078     8.11078     183.078     
1 1 1 23 7  12 o 18.2255 5.55169 1.8622       2.91109  -1.20226     2.92578  11.9243     153.167     11.8192     333.167     
1 1 1 23 7  13 o 26.2508 6.31404 3.95179      3.08336  5.21264      3.05942  23.4206     7.19424     8.8803      187.194     
1 1 1 23 7  14 o 30.8247 6.15186 8.21229      3.15649  4.79185      3.10062  44.8431     177.052     28.8299     177.052     
1 1 1 23 7  15 o 22.4609 6.06304 2.02182      2.93572  3.76532      2.97031  24.4056     17.3632     13.3017     17.3632     
1 1 1 23 7  16 o 32.2134 6.41943 7.09559      3.14791  7.36854      3.49721  32.5765     89.1543     4.81653     269.154     
1 1 1 23 7  17 o 17.2468 5.49354 -1.64318     2.93221  0.729671     3.25168  12.8625     133.373     2.47503     133.373     
1 1 1 23 7  18 o 14.5091 4.87179 -3.34762     2.88606  -1.75698     3.01053  7.30942     212.51      1.31441     32.5102     
1 1 1 23 7  19 o 22.4838 6.20806 4.10627      3.12943  1.74234      3.23819  24.6938     167.105     13.2698     167.105     
1 1 1 23 7  20 o 22.4293 6.42397 2.66532      3.47074  3.25669      3.43578  18.6953     52.8456     12.3781     52.8456     
1 1 1 23 7  21 o 21.7448 6.19599 0.0368395    3.43576  4.72255      3.37423  20.6925     116.756     1.86619     296.756     
1 1 1 23 7  22 o 25.7169 5.74899 -1.42163     3.29037  9.10557      3.33009  21.7336     295.56      11.5619     115.56      
1 1 1 23 7  23 o 19.8986 6.02053 -2.49929     3.91217  3.97457      3.39169  20.7778     237.946     4.29091     237.946     
1 1 1 23 7  24 o 23.1291 6.20189 0.80069      3.67971  5.8855       3.12889  12.6855     333.906     24.2505     153.906     
1 1 1 23 7  25 o 21.1608 6.33633 2.48033      3.93747  3.04008      3.26595  22.7663     82.8945     3.23359     82.8945     
1 1 1 23 7  26 o 18.8637 5.7796  1.61342      3.16373  1.64226      3.03233  18.8602     215.644     11.4693     215.644     
1 1 1 23 7  27 o 17.4763 5.63603 0.238566     3.30983  0.464844     3.40557  13.3342     182.019     7.5204      182.019     
1 1 1 23 7  28 o 17.2131 5.55894 0.790255     3.45238  -0.00916344  3.09728  11.3496     351.782     6.11622     351.782     
1 1 1 23 7  29 f 19.6172 5.56629 -2.45267     3.3183   5.0547       2.87622  17.8464     280.198     0           0           
1 1 1 23 7  30 o 16.3188 5.21581 1.05273      2.80116  0.00273628   2.81487  15.2306     314.07      0.272237    134.07      
1 1 1 23 7  31 o 17.0297 5.3555  1.62006      2.8592   0.723452     2.79428  19.2116     262.985     9.5108      262.985     
1 1 1 23 7  32 o 15.7957 5.08306 -1.93659     2.8262   2.03694      2.81713  15.6037     221.332     2.37048     221.332     
1 1 1 23 7  33 o 29.7853 6.05573 10.1923      3.09782  5.52201      3.10645  36.0955     351.431     8.82674     351.431     
1 1 1 23 7  34 o 14.6032 4.84265 -0.931707    2.74616  0.102222     2.76205  11.2965     188.085     4.98834     188.085     
1 1 1 23 7  35 o 16.5461 5.27737 0.889192     2.88086  1.69902      2.82886  16.7085     264.702     4.71726     264.702     
1 1 1 23 7  36 o 14.3572 4.79721 -0.193665    2.78072  -0.77618     2.80363  10.8454     344.952     3.51452     164.952     
1 1 1 23 7  37 o 23.1196 6.16623 5.18794      3.02029  5.55664      2.97569  27.6454     341.692     14.7381     341.692     
1 1 1 23 7  38 f 17.8799 5.55506 1.93999      2.94577  2.89872      2.96694  7.92837     244.872     0           0           
1 1 1 23 7  39 o 16.9881 5.35919 1.45485      2.83692  2.66942      2.88114  5.62577     309.441     3.04694     309.441     
1 1 1 23 7  40 o 16.2171 5.2225  2.0705       2.84878  1.73089      2.89607  11.0508     186.469     5.94404     186.469     
1 1 1 23 7  41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 8  0  o 28.8914 7.7003  6.68192      3.20601  6.68192      3.20601  47.158      90          28.1916     90          
1 1 1 23 8  1  o 16.8223 5.43556 -1.41039     3.06528  -0.829775    3.21897  3.47407     65.1261     27.8009     245.126     
1 1 1 23 8  2  o 42.8294 5.46429 9.62282      3.45424  13.6772      3.4388   54.6645     107.494     13.2183     107.494     
1 1 1 23 8  3  o 22.6275 6.12343 4.43822      3.05291  0.214129     3.37084  18.7674     1.77044     9.8561      181.77      
1 1 1 23 8  4  o 46.4935 5.26642 12.0854      3.40274  15.0113      3.88937  42.3759     135.399     20.8788     315.399     
1 1 1 23 8  5  o 17.9839 5.62796 -0.508765    3.03247  0.414929     3.13436  16.4476     33.5714     4.78262     33.5714     
1 1 1 23 8  6  o 23.4461 5.91214 5.9856       3.09744  -1.24934     3.29512  16.2374     311.925     17.557      131.925     
1 1 1 23 8  7  o 22.9786 6.2103  1.26524      3.09816  4.40662      3.22533  18.0178     64.0154     12.783      64.0154     
1 1 1 23 8  8  o 21.5657 6.04918 3.34397      3.07605  1.11757      3.01815  13.3958     348.204     18.3012     168.204     
1 1 1 23 8  9  o 37.1275 5.78881 9.08143      3.23443  8.96813      3.20649  50.6641     128.233     20.3592     128.233     
1 1 1 23 8  10 o 22.5999 6.11675 -0.0110206   3.13395  5.0029       3.28184  12.5739     33.8957     22.5783     213.896     
1 1 1 23 8  11 o 27.9904 6.01208 2.23348      3.11203  7.97901      3.11353  29.5079     132.946     0.384923    312.946     
1 1 1 23 8  12 o 18.5257 5.68779 0.13699      3.04821  1.03748      2.99627  14.63       46.5456     5.72746     46.5456     
1 1 1 23 8  13 o 21.4    6.07287 3.56229      3.03059  0.409139     3.35718  19.9581     306.675     1.75779     126.675     
1 1 1 23 8  14 o 31.3607 6.42922 8.40335      3.16221  5.17303      3.69572  25.836      149.907     16.7566     329.907     
1 1 1 23 8  15 o 18.6508 5.67097 1.72364      2.8794   -0.426112    3.12239  13.9474     282.252     7.38019     102.252     
1 1 1 23 8  16 o 19.3069 5.76857 1.57047      2.96409  0.986564     2.93744  17.0569     194.379     0.755574    14.3785     
1 1 1 23 8  17 o 20.4124 5.90043 2.34846      2.92365  1.61927      2.9755   20.099      60.1466     3.36894     60.1466     
1 1 1 23 8  18 o 18.1838 5.68781 2.58729      3.41134  -3.63812     3.32457  10.2091     181.256     15.4213     1.25587     
1 1 1 23 8  19 o 22.5932 6.27047 -0.430945    3.49099  5.61511      3.51054  12.4318     291.175     22.6605     111.175     
1 1 1 23 8  20 o 26.5792 6.7795  4.59358      3.58039  6.07695      3.57069  30.017      322.855     5.55222     322.855     
1 1 1 23 8  21 o 24.6393 6.84972 1.54014      4.69369  6.2378       3.66851  19.7404     207.113     12.2139     27.1131     
1 1 1 23 8  22 o 24.791  6.14038 2.97736      2.98651  6.00663      3.01247  26.9631     289.335     2.56821     289.335     
1 1 1 23 8  23 o 35.0114 6.1896  6.38673      3.3237   12.4533      3.5762   44.9545     258.922     13.8459     258.922     
1 1 1 23 8  24 o 16.048  5.26458 0.79571      3.24132  -2.69207     3.06719  15.602      175.778     4.88253     175.778     
1 1 1 23 8  25 f 20.592  6.06751 3.41266      3.15692  1.78941      3.30554  15.5665     151.227     0           0           
1 1 1 23 8  26 o 26.0043 6.4887  3.72001      3.31999  7.4056       3.40702  35.843      240.273     23.9214     240.273     
1 1 1 23 8  27 f 20.6143 6.08122 1.46918      3.18906  4.14539      3.34202  5.55345     311.543     0           0           
1 1 1 23 8  28 o 16.3111 5.28768 -1.46393     3.1129   1.22159      3.0144   15.1425     110.051     3.54157     110.051     
1 1 1 23 8  29 o 19.0598 5.70248 3.11269      2.91358  1.41595      2.92642  18.3411     118.465     1.19026     298.465     
1 1 1 23 8  30 o 17.9088 5.51212 1.87193      2.84248  1.63365      2.84715  17.6941     195.894     0.128672    15.8942     
1 1 1 23 8  31 o 16.7463 5.2666  2.56183      2.85633  -0.752301    2.76135  18.0702     300.168     6.34147     300.168     
1 1 1 23 8  32 f 24.6691 5.69113 8.72281      2.99848  1.31599      2.93407  24.9221     240.137     0           0           
1 1 1 23 8  33 o 20.4342 5.78602 5.37124      2.91947  1.21518      3.02689  24.7249     348.85      11.796      348.85      
1 1 1 23 8  34 o 14.9686 4.93629 -3.62995     3.22733  1.69738      2.77802  10.6934     300.05      5.37951     300.05      
1 1 1 23 8  35 o 13.6093 4.60235 -3.17188     2.78519  0.229047     2.75757  8.17182     188.101     3.312       188.101     
1 1 1 23 8  36 o 16.4659 5.26438 2.40319      2.91078  0.0964923    2.86907  12.2468     1.6011      5.1992      1.6011      
1 1 1 23 8  37 o 18.0501 5.46591 0.0486357    2.89687  4.291        2.86538  2.00534     138.784     1.09626     138.784     
1 1 1 23 8  38 o 15.323  5.00723 2.36171      2.87953  -1.87573     2.86536  10.528      120.842     0.872127    120.842     
1 1 1 23 8  39 o 22.0386 5.95888 9.58419      3.4634   1.03083      2.95706  23.6995     268.648     4.69918     268.648     
1 1 1 23 8  40 o 16.4987 5.27305 3.24311      2.92717  0.962488     2.85477  16.3165     85.8482     3.36437     85.8482     
1 1 1 23 8  41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 9  0  o 10.8414 5.33789 -2.40786     3.19104  -2.40786     3.19104  10.9595     90          45.9642     90          
1 1 1 23 9  1  o 16.1557 5.28102 -1.58528     3.02798  -1.41372     3.14648  10.4785     110.87      8.30002     290.87      
1 1 1 23 9  2  o 17.8639 5.63161 0.27728      3.02197  -0.760708    3.28928  15.4438     131.623     0.280046    131.623     
1 1 1 23 9  3  o 20.984  5.65509 5.31881      3.15865  -4.88238     3.31555  12.9156     306.878     17.87       126.878     
1 1 1 23 9  4  o 38.2913 5.77087 9.8527       3.32421  9.2641       3.27369  39.9572     56.227      5.22178     236.227     
1 1 1 23 9  5  o 30.5401 6.3618  5.36261      3.2761   7.33586      3.18844  44.338      324.955     30.8415     324.955     
1 1 1 23 9  6  o 46.876  5.00964 14.88        3.41761  12.5594      3.5467   64.2708     122.22      23.8413     122.22      
1 1 1 23 9  7  o 19.6475 5.46034 4.69003      3.03051  -6.28534     3.26837  19.3995     325.164     6.40769     325.164     
1 1 1 23 9  8  o 26.6618 6.27424 6.76467      3.12106  2.22471      3.42285  26.6718     150.247     2.56503     330.247     
1 1 1 23 9  9  o 25.5308 5.86641 7.61001      3.09676  -1.84568     3.78109  21.7421     188.154     10.5411     8.15425     
1 1 1 23 9  10 o 25.7769 6.48862 5.41073      3.24597  3.29368      3.35971  27.3811     118.309     2.08154     118.309     
1 1 1 23 9  11 o 30.1532 6.53215 7.45735      3.17646  5.13221      3.65611  34.2061     109.823     4.68012     109.823     
1 1 1 23 9  12 o 17.0596 5.42893 -0.760135    3.02964  -0.0527479   2.96821  12.9005     275.869     2.4248      95.8695     
1 1 1 23 9  13 o 27.08   6.45828 3.80773      3.1134   6.27243      3.35637  33.5578     211.324     13.4688     211.324     
1 1 1 23 9  14 o 26.9112 6.35253 4.44361      3.1057   5.52497      3.09933  34.3791     2.86143     16.942      2.86143     
1 1 1 23 9  15 o 18.5807 5.67374 2.87394      3.31614  -2.21493     2.92071  7.95671     199.914     4.10815     199.914     
1 1 1 23 9  16 o 21.9421 6.39936 2.83068      3.48768  2.22217      3.52092  14.7102     97.4669     15.5427     277.467     
1 1 1 23 9  17 o 32.203  7.14463 6.02114      4.73236  9.76054      3.7215   46.0486     209.006     34.6411     209.006     
1 1 1 23 9  18 o 18.7855 5.97589 -0.58389     4.02612  0.960098     3.31328  11.4692     221.669     6.1406      221.669     
1 1 1 23 9  19 o 20.302  6.12785 0.790643     3.47821  2.77927      3.37823  20.1212     68.2464     2.32097     68.2464     
1 1 1 23 9  20 o 15.9018 5.14361 0.87699      2.96104  -2.4381      2.79916  12.9898     61.0814     1.9792      61.0814     
1 1 1 23 9  21 o 23.4919 5.83774 6.74559      3.03355  0.19887      3.0379   28.1722     331.223     9.35771     331.223     
1 1 1 23 9  22 o 17.0709 5.39582 -0.566756    3.00365  1.22571      2.87424  16.4584     345.949     7.37581     345.949     
1 1 1 23 9  23 o 18.7082 5.83814 2.2628       3.44642  0.236484     3.15948  20.3412     39.4262     11.1676     39.4262     
1 1 1 23 9  24 o 42.3118 6.12935 9.88743      3.84184  17.3927      3.91376  48.5933     280.123     3.67465     280.123     
1 1 1 23 9  25 o 15.5646 5.15333 -3.53144     3.0236   0.856574     3.26086  13.2429     328.578     0.0341951   328.578     
1 1 1 23 9  26 o 15.9454 5.14789 1.15491      2.79106  -1.84668     3.00276  12.4089     127.886     4.05848     307.886     
1 1 1 23 9  27 o 18.137  5.7919  3.22968      3.80134  -1.13468     3.11035  18.4276     339.56      7.78109     339.56      
1 1 1 23 9  28 o 21.9723 6.26098 3.08926      3.30132  4.83234      3.28395  23.2478     257.944     2.11747     257.944     
1 1 1 23 9  29 o 13.8454 4.66869 -1.04348     2.75675  -2.07447     2.78189  12.579      12.7383     1.11361     12.7383     
1 1 1 23 9  30 o 16.4988 5.19642 -2.01313     2.85459  2.8337       2.83144  14.8557     109.788     9.14999     109.788     
1 1 1 23 9  31 o 16.1359 5.26707 1.67926      3.25483  -0.869783    2.84959  15.6906     179.278     7.30675     179.278     
1 1 1 23 9  32 o 17.1162 5.37899 2.39589      2.84904  0.471067     2.91416  15.1108     284.972     8.97339     284.972     
1 1 1 23 9  33 o 18.5519 5.64839 2.60167      2.94091  2.6202       2.90328  19.4592     293.797     4.03301     293.797     
1 1 1 23 9  34 o 12.341  4.27588 -3.67617     2.78622  -2.03518     2.72732  8.31945     183.285     3.25063     3.2848      
1 1 1 23 9  35 o 13.58   4.57768 0.600201     2.68987  -3.49009     2.76124  2.53133     283.677     0.791344    283.677     
1 1 1 23 9  36 o 19.745  5.76976 4.86797      2.96168  1.98138      2.91162  14.2841     231.656     8.30283     231.656     
1 1 1 23 9  37 o 16.8324 5.3405  2.84715      2.93474  0.450849     2.89488  10.462      43.6103     9.78426     223.61      
1 1 1 23 9  38 o 22.578  6.17472 5.62405      3.06148  5.90943      3.04591  25.7899     194.532     9.37736     194.532     
1 1 1 23 9  39 o 15.1394 4.99073 -0.240026    2.83652  2.1042       2.90704  13.5129     351.732     2.62652     351.732     
1 1 1 23 9  40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 10 0  o 13.6449 6.2235  0.515484     3.03433  0.515484     3.03433  7.91384     270         4.05573     90          
1 1 1 23 10 1  o 21.8522 6.15964 3.2416       3.17055  1.62139      3.12     16.3981     219.139     11.6653     39.1388     
1 1 1 23 10 2  o 32.1456 6.49167 6.80264      3.53413  7.52929      3.23928  37.6182     150.093     6.63691     150.093     
1 1 1 23 10 3  o 16.068  5.26075 -1.41682     3.14815  -1.51112     3.01514  11.0891     51.7791     2.76634     231.779     
1 1 1 23 10 4  o 32.4961 6.55859 7.35446      3.35648  7.39912      3.5327   46.7082     156.973     27.6852     156.973     
1 1 1 23 10 5  o 36.9279 6.25006 7.90921      3.37905  10.7529      3.66495  38.6293     161.01      3.83108     341.01      
1 1 1 23 10 6  o 16.9574 5.34797 -4.82394     3.03889  1.96452      3.13851  12.8855     193.942     1.9048      13.9417     
1 1 1 23 10 7  o 19.3782 5.84951 -0.707894    3.08687  2.42479      3.23891  17.5471     270.02      6.02299     270.02      
1 1 1 23 10 8  f 46.4307 5.40286 16.4285      3.6195   11.3883      3.71989  42.6285     297.397     0           0           
1 1 1 23 10 9  o 27.5302 6.22548 8.33754      3.41161  1.38834      3.35689  27.0459     148.108     3.82562     328.108     
1 1 1 23 10 10 o 40.856  5.76331 5.16196      3.5673   18.1428      3.68336  45.6203     32.0913     1.00175     32.0913     
1 1 1 23 10 11 o 24.0924 6.10538 -1.38092     3.26644  7.15855      3.53853  18.2925     279.71      13.5688     99.7105     
1 1 1 23 10 12 o 30.6197 7.01527 5.78225      3.70241  8.0206       3.90838  35.4693     95.5554     7.07088     95.5554     
1 1 1 23 10 13 o 20.6088 5.98048 4.97344      3.60522  -3.56061     3.34487  17.8395     335.677     4.03662     155.677     
1 1 1 23 10 14 o 22.4392 6.75484 2.50425      4.65427  2.39283      3.55883  20.1188     41.4385     3.97633     221.439     
1 1 1 23 10 15 o 29.2919 5.99303 -0.969408    3.87583  11.4267      3.68141  34.0765     38.589      6.60715     38.589      
1 1 1 23 10 16 o 18.1677 5.81847 -1.18909     3.63716  0.846455     3.44532  15.7536     162.482     4.8451      162.482     
1 1 1 23 10 17 o 19.2229 5.87509 1.018        3.25559  1.61555      3.12722  13.5596     328.173     10.9296     148.173     
1 1 1 23 10 18 f 17.5557 5.54039 -2.3289      3.14014  2.11261      3.21184  12.0634     54.0678     0           0           
1 1 1 23 10 19 o 15.1178 4.98528 -3.86298     2.85551  0.503805     2.98849  8.25126     22.6237     3.12105     22.6237     
1 1 1 23 10 20 f 16.7013 5.32271 -1.05973     2.97184  1.04669      2.89081  24.0089     301.383     0           0           
1 1 1 23 10 21 o 36.2891 5.90668 12.7188      3.36806  7.03431      3.24319  33.3586     246.255     13.3092     66.2548     
1 1 1 23 10 22 o 17.3828 5.50621 0.638243     3.16725  0.578993     2.91187  12.5787     20.9274     9.57799     200.927     
1 1 1 23 10 23 o 21.6933 6.22194 1.325        3.35425  4.97438      3.38225  26.3605     313.689     13.9263     313.689     
1 1 1 23 10 24 o 16.2153 5.31392 0.823764     3.23435  -2.08682     3.15522  13.8192     158.773     1.03337     338.773     
1 1 1 23 10 25 o 28.5707 6.44292 6.72723      3.1193   6.98363      3.2719   36.67       320.112     14.8303     320.112     
1 1 1 23 10 26 o 22.2676 6.26017 3.14275      3.40113  4.76994      3.13821  18.8426     190.197     8.17008     10.1968     
1 1 1 23 10 27 o 29.4912 6.60844 6.83633      3.45949  8.71146      3.36154  42.1271     138.298     24.2116     138.298     
1 1 1 23 10 28 o 22.0448 5.85269 -0.276526    2.94641  7.4121       3.27412  29.2148     356.06      15.9278     356.06      
1 1 1 23 10 29 o 15.5964 5.10424 0.749913     2.8277   -0.895735    3.03039  14.7411     261.999     0.90668     261.999     
1 1 1 23 10 30 o 14.9049 4.93764 0.191725     2.87455  -1.05304     2.82803  13.7892     201.792     2.98621     201.792     
1 1 1 23 10 31 o 19.0482 5.79053 3.18675      3.05375  2.34711      3.08795  14.9503     306.643     8.38523     126.643     
1 1 1 23 10 32 o 14.3779 4.81178 -0.233316    2.81674  -1.14994     2.84983  12.3555     171.338     1.34219     171.338     
1 1 1 23 10 33 o 18.7732 5.72617 3.43223      3.10489  2.31371      2.92775  20.2971     37.7641     6.07778     37.7641     
1 1 1 23 10 34 o 18.867  5.63459 1.31341      2.88737  4.39538      2.92056  6.66942     80.6281     4.53533     80.6281     
1 1 1 23 10 35 o 15.6061 5.08061 1.57702      2.85316  -0.39381     2.82938  10.2812     19.9049     5.33572     199.905     
1 1 1 23 10 36 o 15.4721 5.0596  0.723146     2.84608  0.609992     2.83168  9.58801     176.838     1.05709     176.838     
1 1 1 23 10 37 o 16.5174 5.28185 0.517946     2.87858  2.97771      2.9447   13.0108     336.207     2.88685     156.207     
1 1 1 23 10 38 f 16.953  5.38357 1.91292      2.91296  3.07025      2.95635  14.2062     202.381     0           0           
1 1 1 23 10 39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 11 0  o 36.4552 7.50047 9.71112      3.65456  9.71112      3.65456  65.6651     90          49.1107     90          
1 1 1 23 11 1  o 24.6395 6.44114 5.08025      3.21401  2.39882      3.47538  25.0961     210.378     0.749453    210.378     
1 1 1 23 11 2  o 29.3139 6.56202 3.47328      3.47219  8.42328      3.56383  33.6708     92.238      6.43013     92.238      
1 1 1 23 11 3  o 22.6185 6.16896 -0.309301    3.17594  5.31255      3.4285   23.5222     256.165     4.00894     256.165     
1 1 1 23 11 4  o 25.1219 6.42416 3.57894      3.23954  4.68197      3.17844  25.5457     66.9879     0.279484    66.9881     
1 1 1 23 11 5  o 40.7207 5.74751 11.3288      3.635    10.5407      3.32052  54.6619     301.762     20.6776     301.762     
1 1 1 23 11 6  o 19.9531 6.05675 2.52776      3.6826   -0.156341    3.02236  17.7614     311.821     7.2718      311.821     
1 1 1 23 11 7  o 20.8798 6.13055 3.32749      3.49366  0.278559     3.10001  17.7019     92.6294     9.43667     92.6294     
1 1 1 23 11 8  o 20.4503 6.0302  -0.245729    3.52645  2.96673      3.07677  18.78       140.442     0.00506693  320.437     
1 1 1 23 11 9  o 18.0633 5.70541 -3.80774     3.69382  1.84286      3.27204  14.7117     12.1288     2.50587     12.1288     
1 1 1 23 11 10 o 27.807  7.18526 7.16057      4.37081  4.28076      3.67603  25.1172     307.054     7.87449     127.054     
1 1 1 23 11 11 o 22.6041 6.41278 -0.317025    3.78743  5.05826      3.57562  24.4013     323.931     7.2958      323.931     
1 1 1 23 11 12 o 45.2565 6.52827 15.9885      4.39881  13.1705      4.39153  50.7637     42.6586     1.59424     42.6588     
1 1 1 23 11 13 o 21.4168 6.37399 -1.74733     3.86904  4.72454      3.86481  20.6816     127.573     0.564597    127.572     
1 1 1 23 11 14 o 20.8894 6.47196 1.55053      3.87745  1.76665      4.07554  15.9166     115.043     9.67778     295.043     
1 1 1 23 11 15 o 30.9139 6.76444 5.892        3.46317  8.98886      3.73154  44.8009     264.607     30.2808     264.607     
1 1 1 23 11 16 o 17.6778 5.69072 -1.66035     3.26787  1.30548      3.58808  13.6048     112.796     6.04313     292.796     
1 1 1 23 11 17 o 19.9873 6.03301 0.70066      3.34202  2.93802      3.3174   21.5056     250.329     9.41207     250.329     
1 1 1 23 11 18 o 20.6357 6.2008  1.42733      3.69595  3.05678      3.29039  23.3987     209.787     10.4822     209.787     
1 1 1 23 11 19 o 30.6787 6.44825 9.32802      3.4471   5.68487      3.24876  34.5205     48.5599     3.38806     48.5599     
1 1 1 23 11 20 o 24.1913 6.38921 4.67487      3.32414  4.51495      3.07636  22.5121     126.958     5.66026     306.958     
1 1 1 23 11 21 o 28.9886 6.7506  5.84279      3.56693  8.28299      3.53774  23.6475     68.7886     14.9929     248.789     
1 1 1 23 11 22 o 15.0848 5.0407  -1.07524     3.13229  -1.81714     3.02843  11.0547     325.835     3.84173     325.835     
1 1 1 23 11 23 o 20.5251 6.16176 3.89149      3.54655  1.55427      3.28471  21.0927     124.024     3.17538     124.024     
1 1 1 23 11 24 o 21.6499 6.22877 4.22848      3.16307  2.90999      3.44065  21.7214     303.003     0.64802     303.003     
1 1 1 23 11 25 o 18.6137 5.63403 2.95958      2.93503  0.840526     2.90418  19.816      238.85      5.54233     238.85      
1 1 1 23 11 26 o 21.9455 6.13962 3.13382      3.31825  4.78786      2.97847  26.8533     250.501     11.0807     250.501     
1 1 1 23 11 27 f 14.6156 4.94044 -2.37983     3.17537  -0.754379    3.11955  9.08985     277.917     0           0           
1 1 1 23 11 28 o 28.5024 6.51396 6.73184      3.14131  8.33463      3.38887  32.6102     214.602     5.3062      214.602     
1 1 1 23 11 29 o 18.1637 5.51273 0.150518     2.93583  3.65989      2.86052  11.8281     306.626     13.1561     126.626     
1 1 1 23 11 30 o 17.8084 5.47353 0.172323     2.9479   3.39554      2.86467  19.1649     302.772     7.88021     302.772     
1 1 1 23 11 31 o 14.1135 4.74137 -2.55899     2.81329  0.407404     2.8447   10.2474     250.884     3.99893     250.884     
1 1 1 23 11 32 o 17.64   5.48    3.75864      3.02428  0.03809      2.90668  15.1606     157.908     3.76634     337.908     
1 1 1 23 11 33 o 14.9268 4.81835 3.0597       2.74813  -5.48037     2.8349   9.89728     58.8963     3.30067     58.8963     
1 1 1 23 11 34 o 16.7904 5.3322  2.54912      2.93768  0.480331     2.85943  12.8259     190.618     2.70942     190.618     
1 1 1 23 11 35 o 19.1674 5.6607  4.95953      2.93386  1.20097      2.92848  13.8044     7.22684     7.39843     7.22684     
1 1 1 23 11 36 o 14.334  4.80826 -0.142647    2.88683  -0.0892142   2.82434  9.64731     229.593     0.779742    49.593      
1 1 1 23 11 37 o 16.8935 5.40742 0.72805      3.39     3.57753      2.9267   16.1309     1.23092     3.65075     1.23092     
1 1 1 23 11 38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 12 0  o 10.0235 5.00127 -3.06926     3.08985  -3.06926     3.08985  1.20766     90          17.3238     90          
1 1 1 23 12 1  o 14.1203 4.8062  -3.21797     3.09948  -3.61278     3.06869  1.71492     143.154     30.4775     143.154     
1 1 1 23 12 2  o 32.8396 5.94162 12.5562      3.6155   2.56553      3.30496  47.8755     241.076     29.7752     241.076     
1 1 1 23 12 3  o 14.9447 5.03819 -3.31787     3.3804   -2.4246      3.06054  4.35979     264.591     18.644      84.5908     
1 1 1 23 12 4  o 30.0244 7.32659 6.24389      4.3996   7.33706      3.91065  32.1504     43.4993     1.92387     43.4995     
1 1 1 23 12 5  o 23.4332 6.89126 3.51672      4.72518  2.68735      3.48698  19.2763     344.603     12.5488     344.603     
1 1 1 23 12 6  o 29.8395 6.45933 1.38717      4.35198  10.1181      3.56355  39.3358     227.767     18.7563     227.767     
1 1 1 23 12 7  o 30.2436 6.93264 4.86706      3.86079  8.75444      3.79585  27.7182     310.906     8.76425     130.906     
1 1 1 23 12 8  o 22.0567 6.61961 4.16221      4.03794  -0.136149    4.06233  21.381      173.734     11.8812     173.734     
1 1 1 23 12 9  o 31.6295 7.77923 10.4443      4.71357  5.88843      4.9626   35.5267     333.711     5.14032     333.711     
1 1 1 23 12 10 f 18.7116 6.04515 0.995787     3.94346  -1.74905     3.90274  12.5424     123.277     0           0           
1 1 1 23 12 11 o 31.2282 7.23492 9.82424      4.16063  5.79185      4.11038  34.1744     290.965     2.67839     290.965     
1 1 1 23 12 12 o 18.989  5.966   1.44706      3.56449  0.0969672    3.4392   16.3427     125.52      7.63482     125.52      
1 1 1 23 12 13 o 21.8273 6.26793 4.32376      3.35885  1.20542      3.44466  22.3877     299.746     2.65776     299.746     
1 1 1 23 12 14 o 17.3025 5.53613 -2.59935     3.1719   1.84647      3.35122  8.67496     245.622     4.67538     245.622     
1 1 1 23 12 15 o 29.8006 6.49491 4.41569      3.34135  9.55937      3.56424  32.5607     342.565     1.99654     342.565     
1 1 1 23 12 16 o 22.9306 6.3532  4.5336       3.22982  2.99788      3.37792  28.2956     79.1093     13.8861     79.1093     
1 1 1 23 12 17 o 21.2995 6.21884 2.65913      3.26088  3.29572      3.36243  21.2856     117.395     0.0488039   297.394     
1 1 1 23 12 18 o 16.9594 5.49275 1.19696      3.33783  -1.65622     3.20513  15.8975     148.699     0.414104    148.699     
1 1 1 23 12 19 o 31.5171 6.81901 8.04476      3.77084  8.56831      3.49462  34.3624     153.96      1.50938     153.96      
1 1 1 23 12 20 o 19.0819 5.96688 2.20793      3.27193  0.635344     3.73764  15.5453     156.26      6.51592     336.26      
1 1 1 23 12 21 o 20.0738 5.80111 -2.14198     3.21237  5.46447      3.29349  17.4413     209.375     4.92395     29.3752     
1 1 1 23 12 22 o 16.5333 5.41591 -0.725547    3.16448  0.367681     3.37783  14.5439     289.63      2.44954     289.63      
1 1 1 23 12 23 o 19.8978 5.74694 -2.86426     3.22297  5.88847      3.32475  22.3197     269.588     8.30421     269.588     
1 1 1 23 12 24 o 17.6433 5.51006 -3.40923     3.71521  3.3287       2.98272  17.5156     293.463     2.04479     293.463     
1 1 1 23 12 25 o 15.8671 5.18764 1.46658      2.94865  -2.58787     3.28938  13.4286     206.065     7.97403     206.065     
1 1 1 23 12 26 o 25.2956 6.68765 6.55562      3.55961  5.92481      3.45439  34.0318     351.273     18.7        351.273     
1 1 1 23 12 27 o 27.9884 6.47936 10.3703      3.55429  4.5125       3.41178  40.5323     250.999     26.3087     250.999     
1 1 1 23 12 28 o 15.3079 5.02559 -0.109451    2.87348  0.212883     2.81446  13.7321     233.696     5.33134     233.696     
1 1 1 23 12 29 o 30.4517 6.3249  9.23784      3.18774  7.70703      3.16962  35.7422     233.149     7.62784     233.149     
1 1 1 23 12 30 o 15.025  4.97728 1.16763      2.97155  -1.58517     2.86207  13.1587     224.571     0.69575     224.571     
1 1 1 23 12 31 o 17.1537 5.50396 0.517889     2.9494   2.76722      3.34889  16.6446     230.035     2.77963     230.035     
1 1 1 23 12 32 o 17.7706 5.55998 3.2121       2.94824  0.995985     3.20893  16.5734     276.052     4.3968      276.052     
1 1 1 23 12 33 o 18.8519 5.66738 4.12595      2.95744  1.72491      2.89712  16.1641     299.66      0.60271     119.66      
1 1 1 23 12 34 o 15.439  4.9657  -3.19699     2.86759  3.02906      2.77311  4.50448     76.5086     1.47051     76.5086     
1 1 1 23 12 35 o 14.5697 4.84248 -2.08946     2.88676  1.82625      2.82785  9.91092     294.814     0.898778    294.814     
1 1 1 23 12 36 o 14.9278 4.94609 1.45297      2.89539  0.108736     2.82966  10.265      237.506     4.48024     237.506     
1 1 1 23 12 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 13 0  f 21.5304 8.64679 4.84423      4.44752  4.84423      4.44752  30.1098     90          0           0           
1 1 1 23 13 1  o 18.8451 6.1718  -0.59794     4.71946  -0.809495    3.73552  15.6447     186.727     5.70601     186.727     
1 1 1 23 13 2  o 20.1242 6.35669 -3.22029     4.18163  3.28648      4.26396  15.7965     157.135     8.32867     157.135     
1 1 1 23 13 3  o 23.4692 6.83084 3.06635      4.17939  3.70845      3.80684  26.2442     255.231     10.0074     255.231     
1 1 1 23 13 4  o 22.9415 6.72158 5.68056      4.32548  0.106071     3.7258   24.9803     138.473     7.89953     138.473     
1 1 1 23 13 5  o 23.4438 6.94204 4.5357       4.25847  1.98873      4.26126  19.4947     237.643     8.21595     57.6428     
1 1 1 23 13 6  o 26.8112 7.2431  3.22635      4.44563  7.49997      4.25159  28.0271     333.32      1.69969     333.32      
1 1 1 23 13 7  o 21.8317 6.81842 2.06114      5.00199  1.99797      4.01156  1.72055     38.8341     1.18358     38.8341     
1 1 1 23 13 8  o 47.6411 6.21596 13.6379      4.54444  18.7637      4.11953  51.0146     113.833     2.99423     293.833     
1 1 1 23 13 9  o 38.5748 6.44735 7.37887      3.86007  15.2569      3.98883  49.0547     172.577     15.1373     172.577     
1 1 1 23 13 10 o 21.4273 6.49793 1.45915      3.57737  3.49426      4.09949  21.5217     22.573      12.6212     22.573      
1 1 1 23 13 11 o 20.3075 6.18756 -0.344815    3.71046  3.53077      3.57986  20.7639     17.9075     4.00819     17.9075     
1 1 1 23 13 12 o 30.9727 6.78122 5.8985       3.55234  9.59719      3.74541  26.0633     25.7024     14.3692     205.702     
1 1 1 23 13 13 o 17.8336 5.68816 1.09409      3.38791  -0.28564     3.24066  17.3978     182.21      3.63062     182.21      
1 1 1 23 13 14 o 24.5532 6.67246 6.09845      3.73816  3.46556      3.43311  32.0296     139.023     20.304      139.023     
1 1 1 23 13 15 o 19.5344 5.97079 4.32895      3.6411   -1.80638     3.35274  21.751      51.3949     7.65013     51.3949     
1 1 1 23 13 16 o 25.1629 6.45301 2.91419      3.31534  7.11674      3.44821  33.8293     208.244     19.8158     208.244     
1 1 1 23 13 17 o 14.5904 4.91596 -5.77282     3.17289  0.132669     3.14425  11.7654     18.3235     1.13198     18.3235     
1 1 1 23 13 18 o 27.3219 6.56403 5.40492      3.34864  7.06893      3.3133   29.4947     183.855     2.31479     183.855     
1 1 1 23 13 19 o 21.481  5.95346 -1.1549      3.23809  6.40104      3.35676  22.8469     321.6       4.15314     321.6       
1 1 1 23 13 20 o 17.4613 5.56044 1.70473      3.12025  -0.373168    3.25986  16.3527     168.765     4.92786     168.765     
1 1 1 23 13 21 o 26.5829 6.57741 4.50532      3.31908  7.98933      3.5062   19.3346     52.8045     17.4466     232.805     
1 1 1 23 13 22 o 22.5408 6.52883 4.0989       3.24625  4.74966      3.99943  23.3604     69.1601     1.6721      69.1601     
1 1 1 23 13 23 o 19.5038 5.93825 3.59891      3.16329  1.2321       3.47287  14.4922     339.541     10.7461     159.541     
1 1 1 23 13 24 o 14.2061 4.83002 -1.16328     2.96898  -2.80294     3.26978  10.1128     182.199     5.17207     182.199     
1 1 1 23 13 25 o 14.7649 4.96928 -1.97785     3.31186  -0.477742    2.94529  13.4576     240.335     2.02257     240.335     
1 1 1 23 13 26 o 20.0948 6.13527 3.09336      3.4794   3.61585      3.45912  20.0881     238.153     1.05652     238.153     
1 1 1 23 13 27 o 15.8851 5.24425 -2.8303      3.05217  2.40315      3.38667  14.8212     300.038     2.83295     300.038     
1 1 1 23 13 28 o 17.748  5.55074 2.71659      3.07554  1.28058      2.92066  18.5611     260.245     6.3158      260.245     
1 1 1 23 13 29 o 16.8967 5.46159 -0.146241    3.01318  2.79693      3.36346  13.4566     198.449     5.26878     18.4489     
1 1 1 23 13 30 o 22.2727 6.25438 5.23864      3.38239  4.94088      3.03444  24.8793     267.159     7.30387     267.159     
1 1 1 23 13 31 f 14.4889 4.83524 -2.5608      2.88372  1.16755      2.87663  9.75401     224.312     0           0           
1 1 1 23 13 32 o 15.0199 4.96153 -1.29023     2.90987  1.26836      2.8535   0.169491    210.188     0.0347722   210.188     
1 1 1 23 13 33 o 15.1989 4.98431 -1.81521     2.89065  2.11403      2.86023  9.14179     13.5055     1.32162     13.5055     
1 1 1 23 13 34 o 14.7422 4.9143  0.549295     2.87939  0.210901     2.91557  8.6691      39.076      2.63631     39.076      
1 1 1 23 13 35 o 14.2073 4.83232 -0.474613    2.83313  0.122855     3.34991  3.86815     335.452     1.90983     335.452     
1 1 1 23 13 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 14 0  o 26.0913 9.2714  7.37868      4.58099  7.37868      4.58099  25.6974     270         7.15034     90          
1 1 1 23 14 1  o 21.7488 6.47109 4.86062      3.90461  -0.212839    3.83083  23.9084     259.104     11.203      259.104     
1 1 1 23 14 2  o 29.0879 7.10909 8.29418      3.93866  5.50643      3.95231  36.5149     321.928     14.5486     321.928     
1 1 1 23 14 3  o 24.0365 6.54518 7.26066      3.86133  -0.120226    3.79534  19.7378     220.561     9.86803     40.5608     
1 1 1 23 14 4  o 17.7175 5.88726 -0.778022    3.69187  -1.85057     4.53762  14.181      305.84      5.90596     305.84      
1 1 1 23 14 5  o 27.0532 7.25839 5.85197      3.82715  6.31498      4.52681  23.4059     26.6729     9.47914     206.673     
1 1 1 23 14 6  o 28.3979 7.43848 7.97582      4.3324   5.89287      4.3923   28.8002     128.436     1.20206     308.436     
1 1 1 23 14 7  o 21.0504 6.24456 -0.286197    3.45297  4.72527      3.7039   19.9468     226.108     12.855      226.108     
1 1 1 23 14 8  o 26.2378 6.75471 6.83306      3.54059  4.05597      3.7512   34.1581     186.391     17.8565     186.391     
1 1 1 23 14 9  o 23.395  6.17036 -0.592426    3.27846  7.45284      3.58545  28.3082     213.701     11.4297     213.701     
1 1 1 23 14 10 o 14.2869 4.8748  -1.18022     3.25232  -5.64935     3.28336  11.0273     79.2229     0.273093    79.223      
1 1 1 23 14 11 o 25.9158 6.57947 6.71999      3.41547  4.09677      3.41506  30.8461     166.337     9.06078     166.337     
1 1 1 23 14 12 o 16.6703 5.47595 2.06739      3.64773  -5.35334     3.44768  14.2812     241.249     2.67745     61.2489     
1 1 1 23 14 13 o 19.6617 5.91897 5.14733      3.66122  -2.77214     3.25509  18.5687     323.284     1.34444     143.284     
1 1 1 23 14 14 o 16.744  5.35387 -3.28666     3.29362  2.03471      3.0288   14.9822     65.9184     0.317361    245.918     
1 1 1 23 14 15 o 19.5526 6.14558 1.37108      3.48055  2.08729      3.93048  20.752      157.096     7.56879     157.096     
1 1 1 23 14 16 o 17.4268 5.64325 -3.46457     3.48671  2.59903      3.63597  16.1188     166.582     5.91192     166.582     
1 1 1 23 14 17 o 26.5076 6.54007 8.32352      3.41422  3.31812      3.82983  24.6605     249.279     5.52583     69.2791     
1 1 1 23 14 18 o 21.5646 6.44501 -2.60753     4.587    6.69434      3.98535  24.3896     166.289     10.2506     166.289     
1 1 1 23 14 19 o 17.2797 5.67369 1.682        3.72083  -1.83246     3.61901  13.5689     330.437     7.40821     330.437     
1 1 1 23 14 20 o 27.5406 6.86852 6.98135      3.36473  7.35816      3.92048  30.9011     172.012     5.06941     172.012     
1 1 1 23 14 21 o 17.3812 5.48085 3.2443       3.14772  -2.12883     3.20026  12.1123     159.953     10.5229     339.953     
1 1 1 23 14 22 o 29.0396 6.25773 10.7742      3.36394  4.22421      3.5374   38.8142     150.835     17.7959     150.835     
1 1 1 23 14 23 o 17.1748 5.35126 3.92964      3.06572  -3.26485     3.06551  12.0942     335.835     9.90386     155.835     
1 1 1 23 14 24 o 26.2118 6.30406 8.13308      3.16418  4.6344       3.20351  35.2695     28.0211     19.037      28.0211     
1 1 1 23 14 25 o 24.3046 6.19867 1.5036       3.62866  8.95932      3.39398  27.2686     302.186     5.71715     302.186     
1 1 1 23 14 26 o 17.9256 5.74138 1.79726      3.35945  1.98118      3.46279  1.70589     316.137     1.18422     316.137     
1 1 1 23 14 27 o 18.3402 5.74433 3.7222       3.12921  0.595647     3.59957  19.561      299.778     9.05213     299.778     
1 1 1 23 14 28 o 14.5102 4.89379 -2.32586     2.83139  0.701743     3.2082   12.0375     355.068     1.17407     355.068     
1 1 1 23 14 29 o 25.8165 6.52924 7.5604       3.20122  6.52069      3.45426  30.8664     318.585     22.7254     318.585     
1 1 1 23 14 30 o 17.1427 5.37911 3.56597      2.97884  -0.469729    2.9158   12.5625     286.252     4.03855     286.252     
1 1 1 23 14 31 o 12.0665 4.19972 -4.0018      2.81381  -2.2203      2.70647  3.07357     12.7327     3.05919     192.733     
1 1 1 23 14 32 o 19.5796 6.0893  3.87905      3.59568  4.26874      3.51435  17.3847     138.688     0.441874    318.688     
1 1 1 23 14 33 o 18.232  5.59923 2.63943      2.95881  3.9957       2.92734  18.0215     337.792     7.26416     337.792     
1 1 1 23 14 34 o 17.4987 5.4151  0.317266     2.95807  4.81127      2.93514  18.0681     342.078     9.15753     342.078     
1 1 1 23 14 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 15 0  o 13.4559 6.23277 0.578889     3.21164  0.578889     3.21164  4.18979     270         20.9441     90          
1 1 1 23 15 1  o 30.9992 6.78058 7.55357      3.79349  8.15409      3.3889   39.4063     0.0781513   14.5708     0.0781512   
1 1 1 23 15 2  o 18.7459 5.83466 -0.816907    3.51311  2.59912      3.25884  16.7837     141.767     2.39846     321.767     
1 1 1 23 15 3  f 19.6746 5.97252 4.34738      3.54887  -2.03351     3.4846   5.21075     340.772     0           0           
1 1 1 23 15 4  o 30.5204 6.9555  9.53207      3.76789  6.21423      3.89568  28.2468     341.88      8.27344     161.88      
1 1 1 23 15 5  o 19.3783 5.99843 2.69257      3.28908  0.0403465    3.73164  11.5608     215.393     16.2646     35.3927     
1 1 1 23 15 6  o 15.7603 5.27275 -3.73275     3.31565  0.0713145    3.51817  9.12855     122.692     12.3802     302.692     
1 1 1 23 15 7  o 43.837  5.93275 9.66723      3.68256  19.0946      4.01179  65.0815     238.254     35.8837     238.254     
1 1 1 23 15 8  o 20.8836 6.15787 4.73087      3.46059  -0.000411324 3.52316  21.135      134.127     1.38797     134.127     
1 1 1 23 15 9  o 19.3505 6.06467 -0.735816    3.36008  3.53886      3.91027  20.3464     112.553     10.9215     112.553     
1 1 1 23 15 10 o 16.2207 5.41688 1.14404      3.2485   -13.6842     5.6199   9.83017     133.254     11.5163     313.254     
1 1 1 23 15 11 o 21.3858 6.21136 5.37154      3.48208  -0.0664337   3.6235   24.4955     192.338     9.97634     192.338     
1 1 1 23 15 12 o 14.9722 5.10365 -3.66172     3.60765  -1.85168     3.44325  11.6305     0.471865    0.502407    0.471865    
1 1 1 23 15 13 o 16.9064 5.53732 -2.86641     3.61057  1.47798      3.4515   14.7844     101.16      4.88248     101.16      
1 1 1 23 15 14 o 20.8522 6.30751 0.0591036    3.78609  5.03115      3.7782   15.1384     150.466     11.2218     330.466     
1 1 1 23 15 15 o 30.5818 6.80515 12.0037      3.94377  4.81915      4.00866  24.6775     219.736     15.3222     39.7357     
1 1 1 23 15 16 o 15.5728 5.27147 -2.05229     3.55835  -1.45982     3.63295  12.1728     351.848     4.354       351.848     
1 1 1 23 15 17 o 16.1724 5.50813 -4.78559     3.55751  1.13473      4.36848  10.4737     115.552     5.64938     115.552     
1 1 1 23 15 18 o 20.7756 6.55483 3.75822      4.12406  2.68036      4.45372  21.8918     351.503     3.91176     351.503     
1 1 1 23 15 19 o 28.9839 7.05497 5.8272       4.36621  10.956       3.94484  29.6608     263.801     1.30854     83.8006     
1 1 1 23 15 20 o 15.7846 5.28095 -2.37944     3.45669  0.664519     3.42319  5.52122     73.9028     3.55936     73.9028     
1 1 1 23 15 21 o 16.3267 5.4311  -0.60415     3.58357  0.343308     3.44365  15.9525     315.746     3.75743     315.746     
1 1 1 23 15 22 f 18.0092 5.91369 -0.740311    4.61373  2.47747      3.61341  20.7986     94.4843     0           0           
1 1 1 23 15 23 o 28.0911 7.50317 10.5412      4.85527  8.5484       4.03718  23.2723     335.468     11.6676     155.468     
1 1 1 23 15 24 o 23.6064 6.52563 3.26608      3.91536  7.83132      3.54245  22.2266     357.069     3.12058     177.069     
1 1 1 23 15 25 o 17.4229 5.76077 -1.08271     4.49499  2.59112      3.57031  13.2666     326.046     6.71626     146.046     
1 1 1 23 15 26 o 15.7682 5.2476  1.5141       2.96149  -2.84671     4.0979   14.1169     282.182     1.42805     282.182     
1 1 1 23 15 27 o 14.6036 4.91233 1.09975      2.88722  -4.44286     3.61468  7.13337     249.872     2.59374     249.872     
1 1 1 23 15 28 o 17.4251 5.39655 3.89908      2.93     -0.492434    2.90206  14.7224     263.197     2.0121      263.197     
1 1 1 23 15 29 o 15.6258 5.04667 -3.15624     2.91998  3.07951      2.90742  1.35071     314.488     0.360601    314.488     
1 1 1 23 15 30 f 17.5257 5.4183  -0.675861    2.9406   4.40142      2.98727  4.1755      233.301     0           0           
1 1 1 23 15 31 o 15.0895 4.97298 -1.71896     2.93531  2.40347      2.90162  11.03       170.227     1.351       350.227     
1 1 1 23 15 32 o 15.1021 5.09775 0.894335     2.92703  0.0619566    3.80691  9.54028     146.37      8.37678     326.37      
1 1 1 23 15 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 15 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 16 0  o 21.9217 8.50805 5.53759      4.13081  5.53759      4.13081  30.0221     270         13.5376     270         
1 1 1 23 16 1  o 20.7249 6.35085 1.87165      3.97957  3.05338      3.57284  20.262      304.406     13.0273     304.406     
1 1 1 23 16 2  o 18.0041 5.87944 0.340343     3.9164   -0.0899366   3.70713  15.4829     143.683     8.26714     143.683     
1 1 1 23 16 3  o 26.3065 6.84777 9.28188      4.09529  2.23652      3.90018  25.4759     283.694     2.99272     103.694     
1 1 1 23 16 4  o 17.8293 5.78416 -0.422433    3.52655  0.968304     3.69362  16.2396     131.864     0.357221    131.864     
1 1 1 23 16 5  o 21.8579 6.45405 1.42938      3.69202  5.08345      3.76129  25.2924     230.075     13.2075     230.075     
1 1 1 23 16 6  o 37.0732 6.84179 10.8159      3.92717  11.9055      3.97395  45.1598     357.973     11.9727     357.973     
1 1 1 23 16 7  o 14.8007 5.11511 -2.09958     3.97164  -5.82639     3.6861   8.08592     90.3197     10.7508     270.32      
1 1 1 23 16 8  f 18.826  6.03634 -0.855377    3.47399  3.0231       4.10486  8.37364     178.519     0           0           
1 1 1 23 16 9  o 18.0211 5.83696 0.0363169    3.69396  1.0736       3.63022  12.5628     355.017     9.18683     175.017     
1 1 1 23 16 10 o 23.1389 6.69482 3.05397      3.85967  5.78426      3.85789  26.7931     145.533     11.9157     145.533     
1 1 1 23 16 11 o 28.4746 7.36001 5.63603      3.93131  10.5678      4.61205  28.7167     218.565     0.820767    38.5651     
1 1 1 23 16 12 o 26.7809 6.89086 2.09219      3.82479  11.0777      4.36555  27.6427     283.974     0.813814    283.974     
1 1 1 23 16 13 o 28.3037 7.35229 8.03565      3.97944  8.1422       4.46508  27.7952     246.653     2.66428     66.6532     
1 1 1 23 16 14 o 17.6527 5.82167 -0.801707    3.77412  1.39845      3.9986   15.7734     334.787     1.31789     154.788     
1 1 1 23 16 15 o 18.3923 6.08661 0.0735094    3.83325  1.84055      4.70864  19.1757     282.732     5.45084     282.732     
1 1 1 23 16 16 o 17.8815 5.8007  0.50914      3.52594  1.67184      3.72606  18.7236     189.853     4.5815      189.853     
1 1 1 23 16 17 o 17.6027 5.66397 -1.85978     3.85663  2.81333      3.30058  18.9935     177.747     8.18849     177.747     
1 1 1 23 16 18 o 28.7483 6.6043  6.4809       3.7579   9.11748      3.26986  29.6995     181.801     0.36343     1.80133     
1 1 1 23 16 19 o 19.1951 5.93949 1.82647      3.60144  3.28269      3.18914  17.3901     260.789     2.42366     80.7886     
1 1 1 23 16 20 o 20.4819 6.16315 4.12836      3.62274  3.28675      3.18283  23.6781     298.278     11.9792     298.278     
1 1 1 23 16 21 o 13.8855 4.78575 -3.54671     3.70816  -1.73303     2.98964  8.1402      263.087     3.17929     263.087     
1 1 1 23 16 22 o 18.9616 5.93756 1.28716      3.96445  3.65551      3.19859  15.3553     98.8689     10.2163     98.8689     
1 1 1 23 16 23 o 15.9388 5.28581 1.48954      3.58015  -0.556961    2.89357  13.6852     250.031     0.764775    70.0311     
1 1 1 23 16 24 o 17.0522 5.66944 0.841417     4.19494  1.17786      3.46829  10.7991     70.5635     11.2256     250.563     
1 1 1 23 16 25 o 17.594  5.86082 3.86682      4.26985  -1.32796     4.02837  15.2238     160.711     0.100265    160.711     
1 1 1 23 16 26 o 22.5677 6.85401 6.29572      4.35104  6.38631      4.21834  21.0312     0.698948    0.163564    180.699     
1 1 1 23 16 27 o 17.4284 5.68875 -1.63062     4.04939  3.70987      3.53713  12.7121     333.417     1.37166     333.417     
1 1 1 23 16 28 o 16.7143 5.53053 0.806678     3.68717  1.60408      3.44327  11.0415     313.967     2.79558     313.967     
1 1 1 23 16 29 o 16.7591 5.54283 3.39474      3.73853  -0.0229284   3.38721  13.5761     278.434     1.63503     278.434     
1 1 1 23 16 30 o 17.7955 5.75508 3.04792      3.57263  3.4106       3.5      16.7558     251.181     6.65934     251.181     
1 1 1 23 16 31 o 15.6082 5.18268 1.17139      2.96218  1.35953      3.37482  11.4696     262.473     5.81086     82.473      
1 1 1 23 16 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 17 0  f 13.153  6.34702 -0.468547    3.99694  -0.468547    3.99694  9.44228     270         0           0           
1 1 1 23 17 1  o 19.3334 6.20993 1.1965       4.03138  1.90977      4.02622  16.2005     163.453     9.19176     163.453     
1 1 1 23 17 2  o 21.2582 6.5352  4.10423      4.0621   2.35002      3.94296  23.1378     181.651     10.4346     181.651     
1 1 1 23 17 3  o 26.3829 6.98415 4.29628      3.83406  8.68454      4.07163  32.8593     260.838     15.5291     260.838     
1 1 1 23 17 4  f 19.7082 6.14039 3.11216      3.52606  1.05526      3.84904  21.9155     2.71336     0           0           
1 1 1 23 17 5  o 34.4928 6.76788 8.65493      3.90664  11.9547      3.71511  50.033      124.197     30.6066     124.197     
1 1 1 23 17 6  o 18.9287 6.01045 1.28825      3.54549  1.97091      3.74453  14.8897     226.21      6.55165     46.2105     
1 1 1 23 17 7  o 35.8956 6.96242 13.1787      4.01802  9.68285      4.04414  43.2463     132.505     11.3918     132.505     
1 1 1 23 17 8  o 18.353  5.93403 0.906111     3.74462  1.29116      3.76442  18.6891     174.596     7.07087     174.596     
1 1 1 23 17 9  o 21.3453 6.58766 5.8631       4.43675  1.22905      3.81731  21.073      202.082     0.890604    202.082     
1 1 1 23 17 10 o 19.2576 6.12734 2.96537      3.83355  1.00387      3.83912  9.55336     168.469     19.7725     348.469     
1 1 1 23 17 11 o 15.5308 5.27853 -1.50362     3.69563  -1.90067     3.68183  12.0134     199.995     6.35492     199.995     
1 1 1 23 17 12 o 18.1406 5.75547 3.66731      3.56914  -1.23564     3.31337  20.0981     103.315     10.6204     103.315     
1 1 1 23 17 13 o 16.1821 5.34362 0.100283     3.2343   -0.262391    3.34703  12.3386     338.476     7.51338     338.476     
1 1 1 23 17 14 o 24.6063 6.56892 5.00942      3.3812   6.61665      3.46167  28.9291     212.318     9.17213     212.318     
1 1 1 23 17 15 o 18.8841 5.7864  1.15964      3.20238  3.49388      3.12715  16.5633     111.707     3.56166     291.707     
1 1 1 23 17 16 o 15.1362 5.07846 -1.68578     3.32208  -0.110926    3.10204  12.7056     240.593     1.04455     60.5934     
1 1 1 23 17 17 o 15.5153 5.14355 -0.560776    3.14356  0.22643      3.0622   13.8207     341.709     1.79739     341.709     
1 1 1 23 17 18 o 17.6892 5.54677 -0.435012    3.12563  3.48403      3.12035  8.61481     259.103     5.77886     259.103     
1 1 1 23 17 19 o 18.3538 5.68924 2.34678      3.07497  2.38346      3.07863  17.4348     334.711     0.882129    334.711     
1 1 1 23 17 20 o 15.2506 5.05631 -1.37275     3.04332  1.0096       3.00932  12.0173     18.1231     5.20951     18.1231     
1 1 1 23 17 21 o 16.5509 5.31128 -2.40365     3.11746  3.49539      3.13571  12.7951     348.709     5.23675     168.709     
1 1 1 23 17 22 o 16.0322 5.38235 0.73512      3.68257  -0.488136    3.49425  13.0711     74.7111     5.21516     74.7111     
1 1 1 23 17 23 f 14.4192 4.88602 -3.80193     2.99296  1.2438       3.25349  9.11145     189.857     0           0           
1 1 1 23 17 24 o 14.4534 4.9428  -1.87536     3.85724  -0.941459    2.89427  7.93459     279.729     0.862145    99.7292     
1 1 1 23 17 25 o 16.0571 5.33645 0.713967     3.43527  0.44942      3.30177  9.54357     319.685     0.105597    139.685     
1 1 1 23 17 26 o 18.1017 5.67729 2.47963      2.99084  2.8634       3.30892  15.049      278.201     1.87705     278.201     
1 1 1 23 17 27 o 15.2801 5.07314 1.36894      2.97358  -0.340427    3.15033  7.18109     122.522     2.44433     122.522     
1 1 1 23 17 28 o 16.0761 5.23593 2.33547      3.05194  1.09443      2.94758  13.5496     268.529     1.45132     268.529     
1 1 1 23 17 29 f 15.898  5.1607  5.35647      3.31874  -4.2027      2.83181  10.9346     232.624     0           0           
1 1 1 23 17 30 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 18 0  o 10.5914 5.35531 -3.95602     3.99064  -3.95602     3.99064  6.26708     270         6.55742     90          
1 1 1 23 18 1  o 17.998  5.92319 0.560236     3.68319  1.02668      4.2775   16.49       319.687     0.721278    139.687     
1 1 1 23 18 2  o 19.7297 6.0905  0.504248     3.40634  4.52346      3.72428  19.0954     20.9486     0.232758    20.9487     
1 1 1 23 18 3  o 20.5907 6.13886 5.31455      3.43661  0.204112     3.76125  22.1012     48.6389     4.87003     48.6389     
1 1 1 23 18 4  o 33.1091 6.82481 11.8894      3.6158   8.36164      4.16211  38.8398     46.3948     8.8053      46.3948     
1 1 1 23 18 5  o 20.628  6.15393 5.28112      3.46427  0.645502     3.65345  24.5799     346.219     11.6865     346.219     
1 1 1 23 18 6  o 16.5822 5.51174 -0.979164    3.57134  0.56395      3.63503  8.27829     233.482     16.2542     53.4816     
1 1 1 23 18 7  o 43.0165 6.23354 13.7292      4.00418  16.5303      3.97607  49.7318     351.805     7.84165     351.805     
1 1 1 23 18 8  o 18.5091 5.97734 0.148411     3.59657  3.11074      4.00168  20.1893     74.8564     9.71092     74.8564     
1 1 1 23 18 9  o 17.5005 5.68751 -1.32353     3.57725  2.70854      3.60154  15.4882     39.7065     1.936       219.706     
1 1 1 23 18 10 o 16.4571 5.36368 -3.64213     3.62679  2.49327      3.18586  13.4081     70.7723     7.77958     70.7723     
1 1 1 23 18 11 o 26.4222 6.58546 5.16977      3.51856  8.32851      3.40371  34.9351     256.988     19.0583     256.988     
1 1 1 23 18 12 o 17.7348 5.57566 4.07422      3.31071  -1.96453     3.21612  17.1534     142.664     2.08514     142.664     
1 1 1 23 18 13 o 16.9912 5.46816 2.61595      3.22592  -0.819972    3.19805  16.707      146.294     6.01225     146.294     
1 1 1 23 18 14 o 18.4001 5.61616 -1.66111     3.24258  4.78706      3.1729   16.0733     270.717     10.2089     270.717     
1 1 1 23 18 15 f 21.4463 6.21409 5.06881      3.34488  3.57637      3.22776  13.5217     308.2       0           0           
1 1 1 23 18 16 f 20.1501 5.98222 4.86425      3.21743  2.08961      3.20935  11.2534     310.033     0           0           
1 1 1 23 18 17 o 14.4761 4.90604 0.573547     3.07745  -4.05626     3.42636  11.2169     55.6089     3.40263     55.6089     
1 1 1 23 18 18 o 26.3143 6.4871  5.84344      3.33278  8.34503      3.2804   32.7135     163.21      14.3034     163.21      
1 1 1 23 18 19 o 16.5218 5.35783 1.03397      3.09932  1.26923      3.08328  13.3756     288.27      6.58737     288.27      
1 1 1 23 18 20 o 14.8547 4.96438 -0.690373    3.02298  0.14097      2.96821  9.75205     152.001     2.34756     152.001     
1 1 1 23 18 21 o 18.0106 5.65138 0.782401     3.21561  3.69891      3.17932  14.5125     265.799     5.79356     265.799     
1 1 1 23 18 22 o 14.7776 4.9705  -0.313186    3.11885  -0.661668    3.06528  6.40949     56.8865     0.12832     56.8867     
1 1 1 23 18 23 o 14.0711 4.83846 -4.87268     4.15282  -0.337258    2.91654  5.23868     337.345     0.945788    157.345     
1 1 1 23 18 24 o 18.5916 5.78579 -0.349275    3.45139  5.50419      3.42607  16.1005     355.944     4.99402     355.944     
1 1 1 23 18 25 o 12.7762 4.43557 -0.888701    2.93427  -4.36498     3.16492  6.45514     138.292     3.49481     318.293     
1 1 1 23 18 26 o 19.4228 5.83102 4.94186      3.07595  3.49626      3.03079  20.2584     134.296     8.86057     134.296     
1 1 1 23 18 27 o 14.3392 4.80923 0.0129517    2.92181  0.439622     2.79459  11.9184     247.444     2.26874     247.444     
1 1 1 23 18 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 19 0  o 16.4372 7.38063 2.98448      4.06583  2.98448      4.06583  19.0339     90          6.65065     90          
1 1 1 23 19 1  o 17.958  5.9671  -0.925396    4.14104  2.53753      4.31977  16.3683     279.448     0.161813    99.448      
1 1 1 23 19 2  o 26.7261 6.98139 7.11254      3.57719  7.9057       4.03017  30.4515     146.337     7.93745     146.337     
1 1 1 23 19 3  f 24.8262 6.83103 6.08565      3.57717  6.78151      3.93084  15.545      220.225     0           0           
1 1 1 23 19 4  o 25.094  6.72668 8.52141      3.74734  4.24254      3.75041  31.5842     45.1824     15.8751     45.1824     
1 1 1 23 19 5  o 17.3662 5.70942 0.593383     3.61879  1.21562      3.75611  13.7933     279.799     4.89271     99.7988     
1 1 1 23 19 6  o 20.4135 6.20281 1.28726      3.64342  5.46081      3.64634  20.1975     349.519     1.83551     349.519     
1 1 1 23 19 7  o 18.6835 5.93644 3.82807      3.63718  0.39705      3.6421   15.7741     346.916     3.75766     166.916     
1 1 1 23 19 8  o 20.5034 6.21093 2.68821      3.72004  4.6054       3.41613  16.3298     149.221     7.32548     329.221     
1 1 1 23 19 9  o 26.0938 6.84222 6.84797      3.98522  7.60312      3.45638  31.4072     218.488     12.3967     218.488     
1 1 1 23 19 10 o 17.9208 5.72476 2.05643      3.415    1.64978      3.31481  16.4911     80.2758     0.558278    80.2757     
1 1 1 23 19 11 o 22.3431 6.23089 7.43066      3.46808  1.81113      3.3684   27.0804     148.032     15.6273     148.032     
1 1 1 23 19 12 o 12.9131 4.50381 -4.10314     3.1715   -3.01278     3.25388  8.6447      155.629     2.40489     335.629     
1 1 1 23 19 13 o 18.2562 5.66552 -3.20299     3.33441  5.78053      3.51304  6.04393     30.5013     4.20949     30.5013     
1 1 1 23 19 14 o 23.0716 6.49936 4.90025      3.72913  6.47337      3.36489  26.1971     134.386     9.03754     134.386     
1 1 1 23 19 15 o 18.499  5.75488 2.35026      3.22743  2.97128      3.13506  17.1199     41.0261     0.351538    41.0262     
1 1 1 23 19 16 f 16.3197 5.33133 -0.148114    3.21789  1.82936      3.12639  18.7401     180.44      0           0           
1 1 1 23 19 17 o 15.5538 5.15048 -0.378378    3.13493  0.932135     3.07167  7.28462     282.671     2.86509     282.671     
1 1 1 23 19 18 o 15.9745 5.2206  -0.294564    3.04324  1.70547      3.03822  11.0715     155.945     1.15057     155.945     
1 1 1 23 19 19 o 17.8913 5.61064 0.961896     3.18307  3.43748      3.09268  13.8176     175.602     0.328513    355.602     
1 1 1 23 19 20 o 15.2906 5.09881 -0.695139    3.11609  0.827249     3.14616  7.48395     324.877     0.0888728   324.877     
1 1 1 23 19 21 o 18.656  5.88469 2.52447      3.79053  3.54002      3.19968  14.0779     206.91      6.03745     206.91      
1 1 1 23 19 22 o 18.2877 5.57538 0.461592     3.07272  4.98446      3.01123  16.3648     78.5974     3.44528     78.5974     
1 1 1 23 19 23 o 14.3158 4.8338  -2.55905     3.39276  1.2776       2.84891  5.24694     49.9818     1.8217      49.9818     
1 1 1 23 19 24 o 14.8466 5.05493 -1.71318     3.42087  1.65518      3.45781  8.84255     88.4975     3.84612     88.4975     
1 1 1 23 19 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 19 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 20 0  o 12.1917 6.08171 -1.97294     4.56073  -1.97294     4.56073  8.81547     270         1.44599     89.9999     
1 1 1 23 20 1  o 21.6219 6.62132 2.51106      3.5383   7.61414      4.56701  18.9779     248.868     3.6695      68.8682     
1 1 1 23 20 2  o 18.4785 6.03664 -0.193816    3.45868  4.74034      4.48049  15.5237     222.415     9.34591     222.415     
1 1 1 23 20 3  o 16.7804 5.53559 -0.231477    3.6612   1.59815      3.43552  15.1526     180.203     6.61854     180.203     
1 1 1 23 20 4  o 17.9484 5.78316 3.86366      3.62686  -0.779157    3.67183  16.7792     129.772     1.79396     129.772     
1 1 1 23 20 5  o 18.5912 5.95043 2.67315      3.7138   2.34784      3.59874  18.7007     78.1593     5.56399     78.1593     
1 1 1 23 20 6  o 17.8023 5.73735 -1.43478     3.65011  4.17336      3.62344  17.1482     324.916     3.73254     324.916     
1 1 1 23 20 7  o 19.2911 5.99775 4.966        3.63975  1.23537      3.35999  20.4559     347.042     8.89912     347.042     
1 1 1 23 20 8  o 19.0772 5.8724  0.51128      3.44987  4.92928      3.34686  18.9741     310.809     3.67623     310.809     
1 1 1 23 20 9  o 14.7011 4.99104 0.405053     3.32948  -2.79494     3.26262  7.8463      60.6556     3.67638     60.6556     
1 1 1 23 20 10 o 16.0867 5.31261 -1.37179     3.32527  2.00982      3.29458  13.2833     191.264     0.992115    11.2638     
1 1 1 23 20 11 o 17.5628 5.60863 3.70954      3.37961  -0.240099    3.2251   16.2823     168.553     4.88251     168.553     
1 1 1 23 20 12 o 21.1565 6.18646 5.72446      3.35204  3.28625      3.32569  14.2248     92.1288     9.92119     92.1288     
1 1 1 23 20 13 o 22.8515 6.26303 7.85537      3.42478  2.82891      3.27974  25.1532     182.701     14.6058     182.701     
1 1 1 23 20 14 o 19.3363 5.90797 2.02453      3.31702  4.46732      3.24769  7.71486     11.6408     4.621       11.6408     
1 1 1 23 20 15 o 13.1732 4.55588 -3.00716     3.13433  -2.04326     3.03244  4.94598     3.91696     7.786       183.917     
1 1 1 23 20 16 o 16.7287 5.4257  1.89144      3.21271  0.92284      3.13481  3.7355      13.2583     1.26446     13.2583     
1 1 1 23 20 17 o 34.2606 6.38785 11.9783      3.46656  10.2395      3.3898   48.0261     284.901     37.7916     284.901     
1 1 1 23 20 18 o 17.0416 5.47713 1.97638      3.17061  1.85836      3.10421  11.6596     10.9128     3.78318     10.9128     
1 1 1 23 20 19 o 14.5621 4.89617 0.498524     3.03434  -0.599921    2.95744  9.07614     154.377     0.154319    334.377     
1 1 1 23 20 20 o 18.7683 5.81933 0.685138     3.23887  6.49765      3.5143   16.7273     316.08      8.72118     316.08      
1 1 1 23 20 21 o 17.0115 5.4519  0.895104     3.21698  3.86496      3.10527  14.7676     266.913     7.03247     266.913     
1 1 1 23 20 22 o 14.9992 4.96622 -1.65181     3.09353  2.42181      2.88466  12.2935     170.435     5.34752     170.435     
1 1 1 23 20 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 21 0  o 22.5333 8.71235 7.24718      4.31423  7.24718      4.31423  29.2795     270         18.775      270         
1 1 1 23 21 1  o 15.7597 5.38807 -0.944858    3.4141   -0.143611    4.47952  11.7321     251.397     2.15061     251.397     
1 1 1 23 21 2  o 19.0779 6.06617 4.62116      3.7462   1.3604       3.88484  17.3437     75.273      1.98172     75.273      
1 1 1 23 21 3  o 18.8315 5.9851  4.1141       3.68506  1.71986      3.62834  10.0105     274.984     6.08688     274.984     
1 1 1 23 21 4  o 15.3584 5.19103 -4.70624     3.77484  1.91576      3.47966  10.292      86.2181     3.97016     266.218     
1 1 1 23 21 5  o 18.3256 5.8572  4.70696      3.67675  -0.341847    3.65528  15.7491     111.923     5.85567     111.923     
1 1 1 23 21 6  o 17.0782 5.55304 0.169696     3.47576  2.5905       3.32707  13.4745     298.578     2.3638      298.578     
1 1 1 23 21 7  o 13.373  4.64412 -2.76292     3.37703  -2.85409     3.22163  6.37362     26.7764     4.44859     206.776     
1 1 1 23 21 8  o 15.0925 5.07378 -2.7512      3.31577  1.28594      3.24489  8.80518     259.359     0.695359    79.3591     
1 1 1 23 21 9  o 19.4144 5.99373 3.75403      3.41689  3.11676      3.35569  16.6949     209.622     3.14011     209.622     
1 1 1 23 21 10 o 20.2166 6.05081 5.6507       3.37974  2.03337      3.34659  15.3634     189.723     7.51752     189.723     
1 1 1 23 21 11 o 13.4301 4.64135 -4.96018     3.27666  -0.520412    3.16344  4.00683     107.382     2.17384     287.382     
1 1 1 23 21 12 o 12.5336 4.41218 -2.31531     3.45986  -5.90833     3.0888   3.50367     198.407     3.43033     18.4071     
1 1 1 23 21 13 o 17.8189 5.68433 0.110252     3.73686  3.86781      3.23508  13.5716     50.4123     3.42952     50.4123     
1 1 1 23 21 14 o 18.881  5.80053 1.30399      3.28597  5.03467      3.23817  16.6681     195.732     4.6671      195.732     
1 1 1 23 21 15 o 16.5345 5.39839 2.22752      3.25668  1.28026      3.17244  12.2041     315.474     2.33789     135.474     
1 1 1 23 21 16 o 16.9889 5.47842 2.00142      3.22552  2.76286      3.1359   12.5034     227.199     5.57029     227.199     
1 1 1 23 21 17 o 15.0388 5.01121 2.44838      3.08957  -1.50528     3.03691  7.95216     222.851     3.451       222.851     
1 1 1 23 21 18 o 16.4699 5.34771 1.63004      3.14724  2.56267      3.05933  5.08915     20.4445     3.19014     20.4445     
1 1 1 23 21 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 21 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 22 0  o 15.3999 7.02255 2.76825      3.86098  2.76825      3.86098  5.73454     270         1.15093     270         
1 1 1 23 22 1  o 16.3575 5.609   -0.344324    4.12058  0.0973843    4.66135  10.1558     281.654     0.726041    101.654     
1 1 1 23 22 2  o 16.8078 5.62462 -0.799845    3.45325  3.05343      4.1722   5.25201     164.31      1.83528     164.31      
1 1 1 23 22 3  o 22.705  6.57257 7.73331      3.77025  4.25106      3.75228  19.1396     226.615     11.7548     226.615     
1 1 1 23 22 4  f 13.74   4.76552 -7.62667     3.56675  0.59875      3.45655  6.46018     61.2995     0           0           
1 1 1 23 22 5  o 18.8114 5.88137 1.14467      3.51662  4.83276      3.42374  15.2652     52.7634     4.98948     52.7634     
1 1 1 23 22 6  o 15.8917 5.30678 2.35709      3.54681  -1.53257     3.29844  10.2137     18.936      0.127873    18.936      
1 1 1 23 22 7  o 21.7226 6.14943 1.62593      3.50739  8.03575      3.44935  20.8909     43.0675     11.8376     43.0675     
1 1 1 23 22 8  o 20.2271 6.04761 2.00075      3.45998  6.50447      3.39792  19.1793     164.432     5.29169     164.432     
1 1 1 23 22 9  o 14.9212 5.0332  -1.86704     3.27123  1.55568      3.24769  3.86433     219.813     1.27216     219.813     
1 1 1 23 22 10 o 17.943  5.71933 2.63568      3.3658   3.59203      3.32764  15.6611     289.881     4.30087     289.881     
1 1 1 23 22 11 o 14.4945 4.92365 -0.183217    3.17524  -0.0540808   3.223    7.97781     118.676     2.119       118.676     
1 1 1 23 22 12 o 14.2944 4.87617 -0.412614    3.14016  -0.237267    3.2905   10.032      201.63      0.583297    21.6301     
1 1 1 23 22 13 o 17.1722 5.40859 -2.3188      3.22918  5.7045       3.21975  14.8428     306.786     7.64908     306.786     
1 1 1 23 22 14 o 20.0654 6.0457  5.75424      3.37369  4.05432      3.21648  20.0851     341.068     13.2079     341.068     
1 1 1 23 22 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 22 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 22 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 23 0  o 16.1528 7.26331 3.98712      3.95408  3.98712      3.95408  16.2741     90          4.63241     90          
1 1 1 23 23 1  o 15.9214 5.30697 -4.16555     3.89032  4.23151      3.47512  11.6247     120.174     4.74325     120.174     
1 1 1 23 23 2  o 17.2543 5.73692 0.862231     3.5224   4.8314       4.20465  15.298      54.8181     4.37106     54.8181     
1 1 1 23 23 3  o 19.9449 6.31107 6.03438      3.6378   4.92853      4.69298  20.247      188         7.94986     188         
1 1 1 23 23 4  o 12.9511 4.52822 -0.367289    3.31687  -5.30795     3.33524  7.12364     313.135     1.01342     313.135     
1 1 1 23 23 5  o 15.0182 5.08816 0.550218     3.37465  0.335363     3.35862  11.7727     265.026     0.000179959 265.06      
1 1 1 23 23 6  o 15.1963 5.11502 -1.33748     3.30436  2.31907      3.3452   8.87071     352.969     4.49243     352.969     
1 1 1 23 23 7  o 17.7442 5.71138 2.8836       3.55706  3.49779      3.32728  15.8628     237.235     0.53746     237.234     
1 1 1 23 23 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 23 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 23 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 23 23 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 0  0  o 41.6439 8.75312 12.2546      4.88372  12.2546      4.88372  75.5354     8.29729e-10 52.2514     8.29729e-10 
1 1 1 24 0  1  o 12.5629 5.92646 -0.544908    3.12424  -0.544908    3.12424  6.56435     270         0.222342    90          
1 1 1 24 0  2  o 39.6611 6.416   10.4073      3.41331  10.4073      3.41331  55.2348     360         15.4358     360         
1 1 1 24 0  3  o 18.6374 7.39284 3.06831      3.19891  3.06831      3.19891  9.89317     89.9999     6.53743     89.9999     
1 1 1 24 0  4  o 25.4186 7.94622 5.63684      3.27104  5.63684      3.27104  37.4354     360         14.547      360         
1 1 1 24 0  5  o 11.274  5.47029 -1.62292     3.06069  -1.62292     3.06069  0.944035    270         0.413343    90.0002     
1 1 1 24 0  6  f 13.4436 6.20763 0.151663     3.14958  0.151663     3.14958  24.664      360         0           0           
1 1 1 24 0  7  o 9.97702 4.9642  -2.91431     2.97776  -2.91431     2.97776  5.23255     270         32.046      270         
1 1 1 24 0  8  o 40.4985 6.13717 10.7086      3.36076  10.7086      3.36076  30.7546     180         35.3588     8.65127e-06 
1 1 1 24 0  9  f 19.229  7.60187 3.3654       3.36828  3.3654       3.36828  2.4012      90.0003     0           0           
1 1 1 24 0  10 o 25.8095 7.90457 5.81061      3.24122  5.81061      3.24122  21.1126     180         19.424      8.65007e-06 
1 1 1 24 0  11 o 10.9557 5.36057 -1.97309     3.09013  -1.97309     3.09013  1.36377     90          17.5004     270         
1 1 1 24 0  12 o 16.0433 6.84352 1.94167      3.08308  1.94167      3.08308  0.962582    0           0.412199    0           
1 1 1 24 0  13 o 12.8386 5.96831 0.00629124   2.98507  0.00629124   2.98507  6.44403     270         11.6326     90          
1 1 1 24 0  14 o 28.4715 8.20855 6.9636       3.53612  6.9636       3.53612  39.0433     180         10.4497     180         
1 1 1 24 0  15 o 9.51722 4.77012 -3.28091     2.91865  -3.28091     2.91865  0.208357    270         9.37374     90          
1 1 1 24 0  16 o 14.213  6.48597 0.655693     3.3013   0.655693     3.3013   9.79428     180         7.94002     8.65126e-06 
1 1 1 24 0  17 o 12.2358 5.80017 -0.541866    3.05727  -0.541866    3.05727  4.3999      270         14.7109     90          
1 1 1 24 0  18 o 50.2991 5.28037 15.7482      3.82516  15.7482      3.82516  68.6298     5.11371e-07 17.8733     5.11371e-07 
1 1 1 24 0  19 o 9.76872 4.90539 -3.49473     3.13778  -3.49473     3.13778  1.03272     90          11.5254     270         
1 1 1 24 0  20 o 15.1158 6.69579 1.53026      3.22243  1.53026      3.22243  13.6154     360         2.22687     360         
1 1 1 24 0  21 o 26.4211 7.68951 6.19099      3.09529  6.19099      3.09529  42.5193     270         23.513      270         
1 1 1 24 0  22 o 14.5476 6.46087 1.42824      3.02116  1.42824      3.02116  15.1277     8.66198e-06 64.6041     8.66198e-06 
1 1 1 24 0  23 o 20.8634 7.88299 4.5955       3.4546   4.5955       3.4546   23.7105     270         1.47538     90          
1 1 1 24 0  24 o 11.0664 5.45121 -1.96468     3.33843  -1.96468     3.33843  7.31805     180         7.37242     8.70609e-06 
1 1 1 24 0  25 o 16.4588 7.1692  2.48838      3.5424   2.48838      3.5424   5.90565     270         3.92285     270         
1 1 1 24 0  26 o 20.3657 7.45054 4.32602      3.00974  4.32602      3.00974  27.7448     9.85495e-08 8.67423     9.85495e-08 
1 1 1 24 0  27 o 16.1775 6.83777 2.56601      3.02247  2.56601      3.02247  3.61688     270         2.21676     270         
1 1 1 24 0  28 o 16.1116 6.802   2.60374      2.98429  2.60374      2.98429  13.446      180         7.76308     180         
1 1 1 24 0  29 o 13.5429 6.49017 0.056674     4.03207  0.056674     4.03207  3.97701     270         1.98236     270         
1 1 1 24 0  30 o 15.7206 7.17973 2.21741      4.05604  2.21741      4.05604  8.26928     8.65142e-06 53.2184     8.65142e-06 
1 1 1 24 0  31 o 10.6199 5.38045 -4.11781     4.11094  -4.11781     4.11094  4.57694     90.0001     1.07031     90.0001     
1 1 1 24 0  32 o 19.3947 7.51982 4.47132      3.2235   4.47132      3.2235   16.0694     180         12.9025     8.65144e-06 
1 1 1 24 0  33 o 12.4503 5.93381 0.265689     3.28089  0.265689     3.28089  1.64903     270         0.719741    270         
1 1 1 24 0  34 o 12.6456 6.20113 -0.616847    4.19355  -0.616847    4.19355  7.86939     360         2.96285     360         
1 1 1 24 0  35 o 13.9695 6.34847 1.77439      3.1206   1.77439      3.1206   8.81123     90          4.7479      90          
1 1 1 24 0  36 o 10.3243 5.09589 -1.30167     2.95792  -1.30167     2.95792  0.0483763   0           0.0230326   180         
1 1 1 24 0  37 o 13.3028 6.2593  1.11076      3.44665  1.11076      3.44665  8.16635     270         1.7825      90          
1 1 1 24 0  38 o 10.6411 5.23536 -1.02128     3.05418  -1.02128     3.05418  0.594845    180         19.4043     8.63457e-06 
1 1 1 24 0  39 o 11.1855 5.47008 -0.369046    3.20678  -0.369046    3.20678  4.5628      90          0.923177    270         
1 1 1 24 0  40 o 10.5245 5.17457 -0.653846    2.97066  -0.653846    2.97066  7.29506     180         3.35568     8.81069e-06 
1 1 1 24 0  41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 1  0  o 41.018  6.08927 10.886       3.38723  10.886       3.38723  35.3246     4.47551e-06 27.6254     180         
1 1 1 24 1  1  o 22.2351 6.22472 1.89359      3.21417  2.98331      3.14508  26.306      16.0168     7.43323     16.0168     
1 1 1 24 1  2  o 34.9839 6.20832 7.13701      3.31892  9.10895      3.38656  40.5856     50.697      0.930158    50.6968     
1 1 1 24 1  3  o 32.0674 6.14514 4.00336      3.30359  9.65872      3.31285  33.8082     40.4455     5.60525     220.445     
1 1 1 24 1  4  o 21.4739 6.15568 2.40592      3.19118  1.71523      3.15783  15.0173     106.578     16.7797     286.578     
1 1 1 24 1  5  o 19.1865 5.77654 2.40619      3.14071  -1.42913     3.11185  20.5402     67.5923     5.92809     67.5923     
1 1 1 24 1  6  o 17.7456 5.52227 1.66719      3.0826   -2.6654      3.05393  17.2624     322.561     3.38343     322.561     
1 1 1 24 1  7  o 20.7525 6.0873  2.03601      3.24039  1.29406      3.15093  22.9981     241.518     5.9188      241.518     
1 1 1 24 1  8  o 19.8415 5.9204  0.5617       3.15455  1.81127      3.08064  14.7589     14.0761     12.2456     194.076     
1 1 1 24 1  9  o 27.7511 6.33346 6.88159      3.18382  3.25269      3.26437  20.9367     7.64463     20.6802     187.645     
1 1 1 24 1  10 o 18.9661 5.73926 2.42466      3.14096  -1.52572     3.09394  8.38439     102.335     4.91247     102.335     
1 1 1 24 1  11 o 20.8039 5.92561 -0.0237369   3.07765  3.49507      3.0352   15.7773     319.548     12.4203     139.548     
1 1 1 24 1  12 o 28.4704 6.43595 5.42477      3.19028  5.74149      3.18555  28.2356     55.4328     6.72774     235.433     
1 1 1 24 1  13 o 16.0524 5.2252  -1.95254     3.05681  -0.611475    2.93217  2.84581     118.795     1.08032     118.795     
1 1 1 24 1  14 o 35.6238 6.00868 6.56426      3.27341  10.6966      3.32846  45.9315     129.225     11.5592     129.225     
1 1 1 24 1  15 o 15.2169 5.06627 -0.991213    3.2001   -3.59397     2.9339   10.2423     204.55      1.49588     24.5498     
1 1 1 24 1  16 o 39.4327 5.66817 10.5629      3.29936  9.96197      3.34879  47.3934     76.9461     4.52654     76.9461     
1 1 1 24 1  17 o 18.1255 5.64443 -1.26392     3.13361  1.57534      3.12526  15.2513     336.705     3.8624      156.705     
1 1 1 24 1  18 o 36.2709 6.22014 7.21226      3.47479  11.4105      3.51357  32.3543     91.8336     18.3551     271.834     
1 1 1 24 1  19 o 40.2817 6.29206 11.8434      3.8409   11.1286      3.75738  49.5973     50.4578     7.23403     50.4578     
1 1 1 24 1  20 o 16.1227 5.30014 -0.527439    3.18098  -2.01413     3.20126  12.8223     197.114     3.1297      197.114     
1 1 1 24 1  21 o 20.0436 5.961   4.50566      3.56183  -1.67984     3.13043  20.4087     238.047     0.758649    238.047     
1 1 1 24 1  22 o 25.2895 6.12729 6.59336      3.02512  2.65781      3.09641  33.1829     59.4849     13.4182     59.4849     
1 1 1 24 1  23 o 21.0891 6.13083 1.717        3.2285   3.72417      3.25147  26.3391     238.38      13.2247     238.38      
1 1 1 24 1  24 o 25.5997 6.8101  3.80381      3.77434  6.91193      3.727    36.5117     39.7858     25.7735     39.7858     
1 1 1 24 1  25 o 18.6632 5.86906 2.75361      3.54124  -0.837671    3.37945  18.678      280.083     11.7048     280.083     
1 1 1 24 1  26 o 13.7816 4.65404 -0.446774    2.80854  -4.68366     2.86441  11.0314     263.254     1.24001     83.2536     
1 1 1 24 1  27 o 20.5333 6.22346 3.25118      3.62884  2.20037      3.40774  23.6433     338.131     13.3384     338.131     
1 1 1 24 1  28 o 16.923  5.52618 0.896564     3.44644  -0.758864    3.3053   9.6418      313.328     5.77871     313.328     
1 1 1 24 1  29 o 16.0295 5.34529 -1.6741      3.64689  -0.0679816   3.27812  16.4253     113.974     5.638       113.974     
1 1 1 24 1  30 o 20.0805 5.99882 -0.519249    3.39441  5.46707      3.48373  25.9384     151.381     12.9513     151.381     
1 1 1 24 1  31 o 24.414  6.2145  8.79629      3.44515  1.3589       3.48459  18.9526     331.379     16.1081     151.379     
1 1 1 24 1  32 o 20.1441 6.17324 3.10934      3.63225  3.5797       3.4547   19.5969     86.8958     2.9106      266.896     
1 1 1 24 1  33 o 14.8805 4.9476  1.10736      2.98559  -2.54934     2.9231   3.38308     210.235     2.0318      210.235     
1 1 1 24 1  34 o 14.918  5.01446 0.279291     2.94533  -2.09621     3.46654  9.90388     116.146     10.1236     296.146     
1 1 1 24 1  35 o 15.8148 5.16402 2.0318       2.84931  -1.94877     3.37796  12.4341     202.715     7.192       202.715     
1 1 1 24 1  36 o 15.9286 5.23342 1.07997      3.01011  0.226093     3.19796  11.312      59.0708     5.12434     59.0708     
1 1 1 24 1  37 o 16.5003 5.39461 0.770097     3.05322  1.49013      3.3844   1.03877     117.058     0.4838      117.058     
1 1 1 24 1  38 f 18.0268 5.63959 3.29076      3.03021  1.81835      3.22196  7.36357     112.76      0           0           
1 1 1 24 1  39 o 14.2559 4.86092 -1.50664     3.46842  0.143087     2.99226  6.59333     58.1308     2.5685      58.1308     
1 1 1 24 1  40 o 19.7273 5.95739 3.60981      3.54774  5.48614      3.08722  21.2614     334.832     14.5232     334.832     
1 1 1 24 1  41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 2  0  o 54.5233 4.41415 17.4968      3.58042  17.4968      3.58042  71.6862     3.68916e-06 12.8292     3.68916e-06 
1 1 1 24 2  1  o 26.1459 5.9435  -0.0369755   3.16926  7.68876      3.25054  28.9411     85.9293     0.178937    85.9292     
1 1 1 24 2  2  o 55.7007 4.33067 17.4418      3.65256  19.6451      3.63836  82.8469     293.711     34.6823     293.711     
1 1 1 24 2  3  o 20.7481 6.05002 2.4895       3.14087  0.713874     3.18871  17.2754     308.99      9.63912     128.99      
1 1 1 24 2  4  o 46.6999 5.14506 17.3156      3.54095  10.1642      3.4412   62.3661     120.21      15.6702     120.21      
1 1 1 24 2  5  o 20.7095 6.03724 0.877065     3.14982  2.41097      3.13089  14.3752     182.648     15.8917     2.64793     
1 1 1 24 2  6  o 22.6059 6.28297 2.71867      3.19819  2.70306      3.20459  27.694      55.5976     11.9491     55.5976     
1 1 1 24 2  7  o 19.8722 5.94674 1.23342      3.11094  1.17069      3.17015  2.92559     7.43708     38.0364     187.437     
1 1 1 24 2  8  o 19.7725 5.92163 2.47686      3.13593  -0.874199    3.34968  18.8872     87.7066     1.61231     267.707     
1 1 1 24 2  9  o 19.3003 5.73186 -1.89205     3.07601  3.00479      3.10842  14.3196     90.8521     11.3905     270.852     
1 1 1 24 2  10 o 24.4512 6.27284 5.17648      3.14917  2.10024      3.16618  23.6751     77.947      5.34968     257.947     
1 1 1 24 2  11 o 18.8372 5.73795 -1.16517     3.2505   2.00997      3.01234  17.0057     342.909     2.20072     162.909     
1 1 1 24 2  12 o 21.5534 6.23481 1.88957      3.13909  2.55253      3.43351  21.5854     149.254     0.398443    329.254     
1 1 1 24 2  13 o 24.4326 6.31005 5.59151      3.17356  1.27329      3.49672  30.3133     7.36441     12.005      7.36441     
1 1 1 24 2  14 o 25.5884 6.23441 1.88265      3.12845  6.4684       3.23549  23.8924     164.027     7.9909      344.027     
1 1 1 24 2  15 f 17.6466 5.55221 -0.288571    2.99762  0.279192     3.07857  5.22916     231.004     0           0           
1 1 1 24 2  16 o 18.5171 5.55362 2.95261      2.9875   -2.72636     3.05784  8.34084     26.2277     4.54402     26.2277     
1 1 1 24 2  17 f 26.3046 6.19199 1.53227      3.23343  7.49402      3.29064  33.753      179.344     0           0           
1 1 1 24 2  18 o 21.4762 5.94685 -1.23804     3.278    4.98026      3.17348  21.5901     92.3985     0.69357     272.398     
1 1 1 24 2  19 o 19.1086 5.83683 -1.52687     3.25894  2.9211       3.32301  19.607      66.5911     5.86603     66.5911     
1 1 1 24 2  20 o 27.9002 6.11031 1.89739      3.32722  9.04142      3.31594  27.8822     126.245     6.06704     306.244     
1 1 1 24 2  21 o 19.3161 5.78779 -1.22636     3.21875  3.45549      3.14507  14.3575     309.756     11.7993     129.756     
1 1 1 24 2  22 o 22.6179 6.2543  4.00306      3.26507  3.13999      3.05555  21.2586     157.305     6.02267     337.305     
1 1 1 24 2  23 o 18.5378 5.8522  0.324288     3.37464  1.44439      3.44525  14.0526     323.993     9.18933     323.993     
1 1 1 24 2  24 o 17.114  5.58225 -2.4997      3.419    1.37788      3.55084  18.5746     158.257     5.66952     158.257     
1 1 1 24 2  25 o 19.9405 6.30971 3.45779      4.24984  -0.259168    3.76382  19.286      240.238     2.74271     60.2382     
1 1 1 24 2  26 o 16.0692 5.32793 -1.09112     3.41097  -0.793769    3.24211  11.5629     315.551     5.97889     315.551     
1 1 1 24 2  27 o 19.7483 5.91248 -1.40588     3.44445  4.69741      3.35932  19.8999     329.044     0.0615731   149.044     
1 1 1 24 2  28 o 14.52   4.86863 -0.591947    2.88483  -2.5319      3.00935  6.33357     100.48      16.897      280.48      
1 1 1 24 2  29 o 26.583  6.31471 7.593        3.12626  4.66766      3.18719  28.5255     80.1515     1.37312     260.151     
1 1 1 24 2  30 o 22.6765 6.21637 4.71511      3.15496  4.28679      3.04331  26.3264     166.81      4.24189     166.81      
1 1 1 24 2  31 o 21.1976 6.30145 1.59159      3.06525  6.40897      3.9692   25.6235     73.8444     7.96662     73.8444     
1 1 1 24 2  32 o 16.521  5.47659 -0.452276    3.35601  0.952577     3.64903  12.2131     158.55      9.52132     338.55      
1 1 1 24 2  33 o 21.1313 6.22425 -3.62282     4.41734  8.1874       3.89232  26.6156     228.678     16.9195     228.678     
1 1 1 24 2  34 o 14.2478 4.87084 0.327734     3.29295  -4.56992     3.31352  12.8203     213.504     0.880626    213.504     
1 1 1 24 2  35 f 15.3409 5.09968 0.885264     2.92394  -1.25416     3.36155  17.5645     250.359     0           0           
1 1 1 24 2  36 o 22.5461 6.31482 5.7871       3.35858  4.91489      3.15438  26.5762     221.5       8.93411     221.5       
1 1 1 24 2  37 o 15.5661 5.13032 0.370955     3.01899  0.569465     2.99716  9.28556     151.052     2.03186     151.052     
1 1 1 24 2  38 o 17.5712 5.49951 -1.11355     3.46004  4.27281      3.0131   14.8824     216.558     6.5572      216.558     
1 1 1 24 2  39 o 16.3816 5.3789  2.1493       3.01632  1.35195      3.58332  9.41795     201.913     5.25664     201.913     
1 1 1 24 2  40 o 13.4938 4.60853 0.482339     2.86746  -2.57685     3.00678  11.6151     249.312     0.259924    69.3123     
1 1 1 24 2  41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 3  0  o 12.3193 5.86344 -0.847397    3.18323  -0.847397    3.18323  7.47156     180         6.72769     360         
1 1 1 24 3  1  o 37.4928 5.93057 11.7389      3.40713  6.83243      3.35294  43.6569     347.404     0.918876    347.404     
1 1 1 24 3  2  o 25.6689 6.33929 2.0354       3.27618  5.9795       3.23528  25.8385     209.275     4.75417     29.2748     
1 1 1 24 3  3  o 37.4193 5.91342 12.4029      3.41853  6.2198       3.36665  44.4832     334.153     2.8836      334.153     
1 1 1 24 3  4  o 26.3902 6.47447 4.00977      3.2027   5.05444      3.2449   36.8289     326.175     21.5804     326.175     
1 1 1 24 3  5  o 45.5403 5.17545 14.3568      3.49925  11.6256      3.4829   66.7        212.563     27.9453     212.563     
1 1 1 24 3  6  o 16.3803 5.27226 -3.68168     3.04806  0.645785     3.03167  13.735      67.7182     1.86241     67.7182     
1 1 1 24 3  7  o 67.1925 3.73612 24.3928      3.81843  28.5507      3.82922  67.5309     314.872     24.1494     134.872     
1 1 1 24 3  8  o 27.0734 5.73439 8.94661      3.24668  -1.13176     3.3815   28.9371     101.511     1.89875     281.511     
1 1 1 24 3  9  o 20.139  5.92458 2.77971      3.13807  -0.0973596   3.0998   17.1942     255.226     9.73605     255.226     
1 1 1 24 3  10 o 44.132  5.54399 12.7474      3.81394  12.3663      3.43887  49.4        74.3741     3.69522     254.374     
1 1 1 24 3  11 o 17.2092 5.46241 -1.74474     3.13203  0.643941     2.99307  14.5436     249.063     2.63166     249.063     
1 1 1 24 3  12 o 19.7969 5.90472 0.201751     3.17146  2.24687      3.08613  16.9764     129.317     9.00752     129.317     
1 1 1 24 3  13 o 29.5507 6.51563 6.64419      3.31085  5.55802      3.27863  22.0884     195.702     22.4231     15.7025     
1 1 1 24 3  14 o 18.0918 5.61727 0.892057     3.05018  -0.245253    2.99131  16.2566     353.224     0.460217    353.224     
1 1 1 24 3  15 o 20.8008 6.07433 1.0045       3.35205  2.65889      3.06093  21.7723     188.169     10.0338     188.169     
1 1 1 24 3  16 o 16.6482 5.39691 -0.333702    3.16224  -1.58376     3.11989  13.2752     244.265     0.989338    64.2647     
1 1 1 24 3  17 o 26.6354 6.43239 6.68258      3.29478  3.15894      3.30555  23.0302     113.615     12.5863     293.615     
1 1 1 24 3  18 o 16.9447 5.40618 1.51724      3.12586  -3.43322     3.17453  14.7189     319.368     0.747244    319.368     
1 1 1 24 3  19 o 22.8115 6.45867 2.99715      3.38532  3.60934      3.50307  21.5867     186.95      4.92225     6.95001     
1 1 1 24 3  20 o 19.7594 5.94264 -0.474309    3.40541  3.1721       3.20628  16.7208     122.003     7.28951     302.003     
1 1 1 24 3  21 o 19.7097 5.9689  0.798343     3.31833  2.52932      3.21439  17.6565     80.3864     5.30483     260.386     
1 1 1 24 3  22 o 17.4273 5.58834 1.82087      3.19317  -3.37602     3.74652  17.9503     83.8204     6.52858     83.8204     
1 1 1 24 3  23 o 20.0737 6.19009 3.81973      3.76946  -0.629767    3.68919  20.4957     254.449     0.443636    74.4487     
1 1 1 24 3  24 o 21.5351 6.64177 1.10375      4.34107  4.18802      4.12924  26.8787     215.239     11.8034     215.239     
1 1 1 24 3  25 o 25.7351 7.01017 5.805        3.96639  5.73059      3.87941  27.4437     7.63004     0.787609    187.63      
1 1 1 24 3  26 o 17.3303 5.6468  1.64778      3.26874  -3.49113     4.22171  17.706      42.2243     4.77469     42.2243     
1 1 1 24 3  27 o 16.8595 5.30274 2.73003      2.93143  -3.08391     3.10615  10.1826     260.218     5.89497     260.218     
1 1 1 24 3  28 o 20.6038 6.03071 -0.0459153   2.96894  5.79211      3.59621  22.0356     182.755     15.2292     182.755     
1 1 1 24 3  29 f 17.0086 5.46278 1.35123      3.03959  0.0358157    3.23747  11.7425     103.91      0           0           
1 1 1 24 3  30 o 19.1231 5.74413 4.39733      3.11827  -0.224643    3.17096  22.5946     102.861     6.57279     102.861     
1 1 1 24 3  31 o 16.0954 5.21499 1.51352      2.94844  -0.852692    2.97207  17.3861     16.548      5.35793     16.548      
1 1 1 24 3  32 o 16.1073 5.28971 -1.66828     3.24925  1.76613      3.19392  16.4867     79.1326     7.57966     79.1326     
1 1 1 24 3  33 o 16.0237 5.22789 1.23535      2.91496  -0.364727    3.16606  16.0308     303.887     2.27391     303.887     
1 1 1 24 3  34 o 17.3884 5.62495 0.085047     3.45185  2.88275      3.4095   19.1345     137.486     7.34123     137.486     
1 1 1 24 3  35 o 15.8624 5.2857  0.873023     3.37478  -0.413611    3.32369  12.1677     183.594     6.35581     183.594     
1 1 1 24 3  36 o 18.9812 5.67946 0.482189     3.05026  5.01972      3.05035  16.0308     214.293     9.496       214.293     
1 1 1 24 3  37 o 16.963  5.3116  4.00281      2.9496   -1.84399     3.04239  5.57951     140.264     2.64058     140.264     
1 1 1 24 3  38 o 19.6693 5.87172 4.42389      3.04975  3.26264      3.08438  19.9861     167.985     2.74956     167.985     
1 1 1 24 3  39 o 12.0449 4.22125 -3.79024     2.87981  -2.2889      2.99768  7.34547     353.491     1.00825     173.491     
1 1 1 24 3  40 f 12.5806 4.36096 -1.28731     2.88599  -2.69861     2.85227  6.84597     153.005     0           0           
1 1 1 24 3  41 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 4  0  o 56.1552 4.35196 18.5281      3.64837  18.5281      3.64837  82.5299     2.09623e-06 30.9743     2.09623e-06 
1 1 1 24 4  1  f 27.8201 5.97196 0.595003     3.25874  8.75748      3.32411  35.9031     7.12505     0           0           
1 1 1 24 4  2  o 49.087  4.80993 14.6094      3.47804  14.9647      3.59815  69.4185     12.6827     24.4306     12.6827     
1 1 1 24 4  3  o 58.7327 4.21863 24.9018      3.68856  16.6009      3.67613  73.0041     350.514     7.60749     350.514     
1 1 1 24 4  4  o 18.7789 5.61378 -3.80325     3.23367  3.07799      3.08281  17.6785     190.62      1.15897     10.6204     
1 1 1 24 4  5  o 17.9903 5.65236 0.331369     3.1535   -0.515691    3.12975  15.8428     72.3791     2.42283     252.379     
1 1 1 24 4  6  o 21.6257 6.15966 3.19235      3.21721  1.17251      3.17117  24.8119     323.712     11.8243     323.712     
1 1 1 24 4  7  o 32.797  6.26628 5.55273      3.34859  9.11231      3.29307  42.5732     80.6996     12.2018     80.6996     
1 1 1 24 4  8  o 21.7154 6.14223 3.33132      3.15102  1.24844      3.17315  8.96325     227.539     29.6838     47.5386     
1 1 1 24 4  9  f 16.975  5.43731 0.537439     3.14021  -2.29581     3.08534  25.7193     36.2931     0           0           
1 1 1 24 4  10 o 28.0604 6.53523 5.163        3.31396  5.70383      3.24021  31.6943     36.9956     2.32913     36.9957     
1 1 1 24 4  11 o 20.0209 5.90579 -0.329422    3.16605  2.84884      3.10753  17.523      328.237     5.34529     148.236     
1 1 1 24 4  12 o 22.0234 6.31786 2.92879      3.23712  1.90333      3.49049  23.2605     329.117     2.68033     329.117     
1 1 1 24 4  13 o 35.6516 5.98814 6.09945      3.31207  11.265       3.3305   42.6998     86.051      4.80844     86.051      
1 1 1 24 4  14 o 50.5872 4.95429 12.7662      3.63122  19.6405      3.71617  65.211      239.324     12.9682     239.324     
1 1 1 24 4  15 o 18.2313 5.80706 0.0767017    3.65321  -0.361984    3.1996   15.3936     59.0992     5.2212      59.0992     
1 1 1 24 4  16 o 20.6002 6.15058 2.80436      3.54535  0.680764     3.18632  6.30066     216.318     32.1043     36.3176     
1 1 1 24 4  17 o 22.051  6.25175 1.48644      3.3326   3.89748      3.26692  20.3424     257.773     5.30014     77.7726     
1 1 1 24 4  18 o 38.6524 6.15918 10.4658      3.69231  10.6302      3.46439  56.7046     166.252     26.9108     166.252     
1 1 1 24 4  19 o 16.2942 5.34873 -1.79252     3.34593  -0.539589    3.12341  13.8647     160.781     0.228197    160.781     
1 1 1 24 4  20 o 48.9751 5.05291 17.9664      3.68734  13.8154      3.64366  69.9421     119.256     27.0149     119.256     
1 1 1 24 4  21 o 19.9379 6.18857 1.59399      3.67046  1.58841      3.63279  20.838      199.161     12.1691     199.161     
1 1 1 24 4  22 o 18.2575 5.85048 -3.14005     3.7812   2.55584      3.6803   19.9554     215.362     7.05029     215.362     
1 1 1 24 4  23 o 19.0174 6.02321 -0.365694    3.58332  2.40786      3.75942  15.6278     55.1256     10.7198     55.1256     
1 1 1 24 4  24 o 20.7119 6.83353 1.60369      4.2836   0.400929     6.71328  11.7879     336.879     8.51141     336.879     
1 1 1 24 4  25 o 20.5129 6.26489 3.0078       3.3154   1.77077      4.04572  18.6188     349.206     5.74073     169.206     
1 1 1 24 4  26 o 14.4472 4.86888 -4.07713     2.8762   -0.0879649   3.14214  11.5662     286.216     1.73638     286.216     
1 1 1 24 4  27 o 20.1236 5.72298 5.25416      3.05127  -1.04217     3.09496  24.3868     5.46205     11.8377     5.46205     
1 1 1 24 4  28 o 18.5816 5.72935 2.86907      3.11602  0.637079     3.15057  17.6558     203.983     11.6653     203.983     
1 1 1 24 4  29 o 20.0102 5.97807 5.28291      3.51345  0.153932     3.08879  19.2332     317.51      14.4164     317.51      
1 1 1 24 4  30 o 21.566  6.00221 1.95113      3.0771   5.62431      3.07461  24.8213     201.766     4.25921     201.766     
1 1 1 24 4  31 o 16.9758 5.36462 3.05735      3.03338  -1.34579     2.95494  19.0515     90.2204     9.27043     90.2204     
1 1 1 24 4  32 o 17.6809 5.60403 0.0729982    3.4792   2.82492      3.05313  18.4629     252.163     2.46969     252.163     
1 1 1 24 4  33 o 20.1113 5.82586 5.12008      3.01     1.51664      3.02143  23.2849     276.951     6.22489     276.951     
1 1 1 24 4  34 o 15.8317 5.06005 3.25515      2.879    -3.25425     2.8536   16.0116     40.7177     7.22804     40.7177     
1 1 1 24 4  35 o 17.8531 5.75523 0.481396     3.50978  3.51418      3.57626  18.3004     235.137     4.44865     235.137     
1 1 1 24 4  36 o 18.7949 5.85605 5.23715      3.51749  -0.0657362   3.40787  18.5072     225.857     4.47555     225.857     
1 1 1 24 4  37 o 17.6508 5.6496  0.00942633   3.43819  3.82879      3.36342  14.3971     116.564     3.45166     296.564     
1 1 1 24 4  38 o 13.2925 4.55617 -2.09863     2.99096  -0.804456    2.82345  8.51087     220.291     0.883388    40.291      
1 1 1 24 4  39 o 14.2297 4.76564 1.71236      2.80598  -2.1354      2.92368  10.7645     237.049     4.26013     237.049     
1 1 1 24 4  40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 5  0  o 11.4882 5.56246 -1.50968     3.12728  -1.50968     3.12728  1.7095      360         1.20773     180         
1 1 1 24 5  1  o 19.7392 5.92815 1.77287      3.17537  0.430988     3.13816  20.2617     268.004     3.57066     268.004     
1 1 1 24 5  2  o 44.369  5.35912 12.8203      3.44091  12.1503      3.61019  49.7905     235.316     3.5434      55.3159     
1 1 1 24 5  3  o 36.142  5.81523 13.1271      3.38311  4.56816      3.32889  54.24       344.781     28.1145     344.781     
1 1 1 24 5  4  o 22.477  6.0766  -0.280969    3.19571  4.95551      3.21412  15.1944     201.168     18.4634     21.1677     
1 1 1 24 5  5  o 32.6414 6.45467 7.65059      3.38986  7.02721      3.35501  51.0884     346.254     37.6926     346.254     
1 1 1 24 5  6  o 26.0205 6.43421 2.9644       3.28694  5.82137      3.25454  22.1397     150.237     12.9575     330.237     
1 1 1 24 5  7  f 29.1762 6.12115 9.30695      3.40708  1.91415      3.28036  40.744      297.176     0           0           
1 1 1 24 5  8  o 28.5026 6.36258 7.46865      3.2997   3.60432      3.20358  35.1589     116.618     8.8301      116.618     
1 1 1 24 5  9  o 39.7133 5.89678 8.27915      3.47795  12.8381      3.52809  44.5007     344.171     2.14435     164.171     
1 1 1 24 5  10 o 32.8364 6.41724 6.05908      3.60348  8.88705      3.26577  44.5437     48.8853     17.1152     48.8853     
1 1 1 24 5  11 o 24.1268 6.50513 2.28125      3.47784  4.71697      3.38022  28.8756     9.0007      17.4951     9.0007      
1 1 1 24 5  12 o 26.8647 6.32914 7.50287      3.40416  1.94212      3.26876  36.7939     335.172     22.5415     335.172     
1 1 1 24 5  13 o 16.8245 5.33954 -4.2661      3.17748  1.53434      3.02241  13.3798     39.9638     2.3739      219.964     
1 1 1 24 5  14 o 38.3845 6.13038 9.65022      3.50036  10.5207      3.57692  44.0314     320.628     0.753558    320.628     
1 1 1 24 5  15 o 21.7181 6.22939 2.25007      3.29311  2.80371      3.2143   17.198      351.066     11.3185     171.066     
1 1 1 24 5  16 o 22.0117 6.08208 -0.328417    3.28663  5.0253       3.2477   24.0837     40.6781     4.24839     40.6781     
1 1 1 24 5  17 o 17.279  5.53625 -0.0432142   3.15181  -0.464651    3.20305  14.5904     205.811     4.87399     205.811     
1 1 1 24 5  18 o 22.598  6.23172 5.00418      3.20142  0.855697     3.50408  23.3998     164.782     0.151641    344.782     
1 1 1 24 5  19 o 32.2642 6.97361 8.02627      3.59145  8.54785      3.98439  39.5863     172.445     7.94702     172.445     
1 1 1 24 5  20 o 21.9557 6.56454 2.15781      3.7875   3.61963      3.88191  26.0573     127.068     9.40322     127.068     
1 1 1 24 5  21 o 20.4122 6.65325 1.62692      4.05489  -0.514999    5.93608  23.0714     331.354     12.1133     331.354     
1 1 1 24 5  22 o 23.2534 6.9451  3.36327      3.81058  4.86147      4.71381  24.7662     27.2262     0.32428     27.2258     
1 1 1 24 5  23 o 17.0353 5.47211 0.885931     3.07453  -0.685864    3.23203  18.2807     266.446     8.06278     266.446     
1 1 1 24 5  24 o 18.5781 5.83319 -0.191528    3.44673  2.30355      3.33755  20.928      325.834     9.26676     325.834     
1 1 1 24 5  25 o 19.7926 5.98246 3.97862      3.42207  0.119398     3.25336  19.0783     47.7867     12.3974     47.7867     
1 1 1 24 5  26 o 18.3984 5.77401 0.918986     3.07484  1.95611      3.44137  12.8493     276.099     12.4482     96.0986     
1 1 1 24 5  27 o 32.1648 6.47395 8.86281      3.37309  8.5416       3.34743  33.7225     320.108     4.46011     140.108     
1 1 1 24 5  28 o 18.5448 5.74882 0.312797     3.12388  3.24219      3.2695   17.3579     336.179     3.69576     156.179     
1 1 1 24 5  29 o 23.7092 6.48685 6.31587      3.67985  4.22113      3.05554  27.8816     268.647     5.23089     268.647     
1 1 1 24 5  30 o 19.4443 5.63621 -0.908323    3.0821   5.21152      2.99082  22.9736     140.793     6.77757     140.793     
1 1 1 24 5  31 o 12.3981 4.29472 -1.60118     2.79971  -4.85909     2.73805  7.99941     320.077     2.42177     320.077     
1 1 1 24 5  32 o 17.3706 5.43397 -1.5998      3.03501  3.8271       3.08777  18.4567     137.651     3.62619     137.651     
1 1 1 24 5  33 o 14.726  4.91403 0.376327     2.95048  -1.28627     2.88582  10.7526     19.93       5.521       19.93       
1 1 1 24 5  34 o 18.3133 5.68929 2.43653      3.1216   2.67651      3.06606  18.5594     224.126     0.877643    224.126     
1 1 1 24 5  35 o 20.4725 5.94184 2.72662      3.0367   5.16775      3.07957  19.9563     192.514     1.0906      12.5135     
1 1 1 24 5  36 f 13.8744 4.70371 -0.461418    2.88116  -1.85527     2.91124  6.68739     151.279     0           0           
1 1 1 24 5  37 o 14.0523 4.83207 -2.05044     3.2699   -1.16973     3.37269  7.51386     29.2758     0.697582    29.2758     
1 1 1 24 5  38 o 13.7046 4.7367  -4.07311     3.21436  0.622398     3.38472  8.86052     90.8322     1.81823     90.8322     
1 1 1 24 5  39 o 14.2437 4.80033 -0.606       2.9583   0.648948     2.88994  11.0212     325.746     5.14082     325.746     
1 1 1 24 5  40 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 6  0  o 21.5112 7.80797 4.3472       3.28854  4.3472       3.28854  27.8779     360         6.97821     360         
1 1 1 24 6  1  o 34.0796 6.32032 5.33778      3.68036  10.588       3.38906  23.8919     322.558     30.2867     142.558     
1 1 1 24 6  2  o 16.5765 5.38563 -1.20027     3.13775  -1.13943     3.14804  12.6114     183.593     4.39298     3.59291     
1 1 1 24 6  3  o 44.0616 5.32222 13.2399      3.48122  11.5238      3.47113  56.7472     245.42      11.9559     245.42      
1 1 1 24 6  4  o 21.6002 6.12325 0.351654     3.22317  3.82572      3.22798  23.9063     203.079     6.613       203.079     
1 1 1 24 6  5  o 24.0795 6.23711 5.62417      3.2361   0.993521     3.26977  29.5128     336.371     11.4064     336.371     
1 1 1 24 6  6  o 18.628  5.76876 1.84194      3.33055  -1.36768     3.11547  14.8179     172.161     7.04295     352.161     
1 1 1 24 6  7  o 16.6343 5.38983 -4.83327     3.55608  0.692445     3.10125  12.5211     275         4.83106     95.0004     
1 1 1 24 6  8  o 19.9212 6.02171 0.838708     3.36237  1.53467      3.20766  17.0988     257.283     5.67794     77.2826     
1 1 1 24 6  9  o 33.3585 6.21126 9.93955      3.36063  5.44325      3.31867  33.1052     177.674     9.12517     357.674     
1 1 1 24 6  10 o 29.3464 6.53001 6.25192      3.28911  5.81178      3.2987   38.059      78.3569     13.5366     78.3569     
1 1 1 24 6  11 o 18.6058 5.82201 0.280382     3.14313  0.317418     3.44208  17.0395     128.249     1.08684     128.249     
1 1 1 24 6  12 o 15.4392 5.14533 -2.18071     3.08277  -2.24929     3.25735  9.95858     197.863     6.50545     17.8632     
1 1 1 24 6  13 o 17.7422 5.6498  0.409337     3.28079  -0.931048    3.23881  12.6848     180.926     5.03135     180.926     
1 1 1 24 6  14 o 26.8985 6.81015 5.26653      3.39761  5.12883      3.77192  36.0483     26.9049     19.4384     26.9049     
1 1 1 24 6  15 o 23.4599 6.49392 3.99053      3.30567  3.00703      3.55749  25.8633     340.998     3.85804     340.998     
1 1 1 24 6  16 o 21.1352 6.39215 1.58984      3.82934  2.39505      3.58877  23.4069     157.068     10.5258     157.068     
1 1 1 24 6  17 o 17.8317 5.73535 -0.868049    3.47367  0.469628     3.44868  10.3358     346.352     15.949      166.352     
1 1 1 24 6  18 o 17.9918 5.80169 1.27137      3.444    -2.32778     3.90628  15.1216     286.864     5.09128     106.864     
1 1 1 24 6  19 o 16.7677 5.50382 -1.94323     3.43441  0.0422564    3.4221   14.2116     353.147     3.66624     173.147     
1 1 1 24 6  20 o 15.798  5.35095 -1.59214     3.33072  -3.89556     4.20066  14.4689     141.781     2.4398      141.781     
1 1 1 24 6  21 o 21.2087 6.27998 2.73647      3.4102   2.96974      3.47766  20.461      344.62      3.88946     164.62      
1 1 1 24 6  22 o 28.4842 6.81776 5.73569      3.89595  7.87472      3.43741  34.4138     126.024     6.51511     126.024     
1 1 1 24 6  23 o 18.6501 5.82611 0.983231     3.35677  1.60881      3.2271   11.2138     236.098     17.2831     56.098      
1 1 1 24 6  24 o 24.8481 6.71141 5.72978      3.60457  4.72446      3.5625   19.8253     239.453     14.6201     59.4529     
1 1 1 24 6  25 o 22.9912 6.45883 6.18402      3.6156   2.13254      3.48709  27.6979     357.771     9.22412     357.771     
1 1 1 24 6  26 o 18.4838 5.76463 -1.65803     3.4545   3.61144      3.35883  15.5193     124.907     6.88943     304.907     
1 1 1 24 6  27 o 21.613  6.06874 2.59042      3.08125  4.79334      3.06694  24.2754     322.518     3.50365     322.518     
1 1 1 24 6  28 o 23.2349 5.7962  7.95085      3.14041  0.00490566   3.07729  34.0547     195.545     23.2356     195.545     
1 1 1 24 6  29 o 22.2677 6.07891 2.53915      3.11997  5.88668      3.06708  30.6621     112.22      17.866      112.22      
1 1 1 24 6  30 o 19.4893 5.70325 -1.32727     3.0068   5.83408      3.24462  23.426      175.608     8.56485     175.608     
1 1 1 24 6  31 o 19.8761 5.81738 4.92517      3.06554  1.27751      2.99515  21.3296     108.917     2.15116     108.917     
1 1 1 24 6  32 o 18.6628 5.4046  5.66766      2.95483  -2.89709     3.01903  22.5054     198.625     11.2227     198.625     
1 1 1 24 6  33 o 15.2129 4.98628 -3.01006     2.92428  2.26407      2.9172   14.2056     280.311     6.30708     280.311     
1 1 1 24 6  34 o 16.5558 5.32073 1.29944      2.99097  1.36988      2.93074  13.9202     111.189     7.00731     111.189     
1 1 1 24 6  35 o 13.9013 4.70658 -1.69591     2.91209  -0.535679    2.84477  8.22385     226.531     0.271863    46.5311     
1 1 1 24 6  36 o 15.6698 5.08259 2.49557      2.89489  -1.48091     2.85611  9.37161     165.854     2.53471     165.854     
1 1 1 24 6  37 o 14.3584 4.81459 1.47953      2.9453   -2.34787     2.85546  10.5144     186.864     1.20427     6.86362     
1 1 1 24 6  38 o 12.9834 4.53243 -1.21061     3.30251  -3.70843     3.2552   6.97009     137.549     2.04824     137.549     
1 1 1 24 6  39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 7  0  f 14.9656 6.67378 1.18191      3.25986  1.18191      3.25986  10.6723     180         0           0           
1 1 1 24 7  1  o 32.9844 6.54787 7.74149      3.48256  7.47799      3.44053  31.2709     21.1266     11.8052     201.127     
1 1 1 24 7  2  o 21.9781 6.30591 1.43605      3.47192  3.21728      3.28051  22.4457     55.6716     0.791736    55.6717     
1 1 1 24 7  3  o 20.5723 6.05719 3.52934      3.43721  -0.819264    3.20564  15.7209     300.98      11.198      120.98      
1 1 1 24 7  4  o 22.527  6.3709  3.3662       3.42056  2.07325      3.29718  25.9291     33.2823     9.79019     33.2823     
1 1 1 24 7  5  o 23.3297 6.27889 4.75803      3.30123  1.53863      3.13887  26.7494     241.285     16.1975     241.285     
1 1 1 24 7  6  o 19.3323 5.89862 1.50858      3.2796   0.289789     3.13783  18.447      313.791     1.28921     313.791     
1 1 1 24 7  7  o 16.7087 5.36644 1.44355      3.26283  -4.99124     3.14676  8.76261     221.975     3.19912     221.975     
1 1 1 24 7  8  o 18.9847 5.82501 0.955028     3.18783  0.569688     3.12466  15.3491     358.626     7.14683     358.626     
1 1 1 24 7  9  o 21.2747 6.16126 1.81936      3.30094  2.47489      3.14651  21.7597     341.15      11.408      341.15      
1 1 1 24 7  10 o 26.1964 6.59983 3.64919      3.28861  5.73152      3.48416  24.9522     193.876     6.56921     13.8759     
1 1 1 24 7  11 o 24.2048 6.58799 4.68759      3.38955  2.55702      3.687    20.8049     53.9997     10.0324     234         
1 1 1 24 7  12 o 16.6177 5.39334 0.704502     3.25088  -3.54052     3.22661  11.75       217.073     7.33193     37.073      
1 1 1 24 7  13 f 19.2163 6.08515 0.38696      3.83675  0.356582     3.58195  25.4446     298.514     0           0           
1 1 1 24 7  14 o 34.5454 7.34946 8.20686      3.94482  10.6203      4.52151  34.859      117.319     7.66921     297.319     
1 1 1 24 7  15 o 17.4134 5.55931 2.88555      3.58996  -7.61197     3.55694  15.8837     299.337     2.62039     299.337     
1 1 1 24 7  16 o 23.6382 6.25249 6.92125      3.51278  -0.989589    3.67577  25.9229     124.807     2.59043     124.806     
1 1 1 24 7  17 o 17.696  5.7113  -0.0934352   3.49222  -0.181615    3.42145  17.1693     60.177      3.78965     60.1771     
1 1 1 24 7  18 o 16.0376 5.24032 -0.747146    3.0838   -0.775102    2.98828  14.0937     110.961     0.762581    290.961     
1 1 1 24 7  19 o 20.1119 6.02463 1.32025      3.29507  2.86952      3.22053  23.4079     285.074     8.44376     285.074     
1 1 1 24 7  20 o 31.7838 7.05207 10.5524      4.13493  6.72519      3.64188  50.5747     73.9642     39.1089     73.9642     
1 1 1 24 7  21 o 25.2571 6.33691 0.231546     3.70821  8.6711       3.62233  28.9488     202.657     3.30698     202.657     
1 1 1 24 7  22 o 28.1381 7.00226 5.5749       4.41754  8.06036      3.5433   38.5169     70.7827     17.7629     70.7827     
1 1 1 24 7  23 o 14.7308 4.99702 -2.48853     3.50192  -2.08338     3.03085  11.3279     47.71       4.59077     227.71      
1 1 1 24 7  24 o 21.0915 6.2003  1.11807      3.49679  4.73013      3.4134   8.87792     67.1301     27.9707     247.13      
1 1 1 24 7  25 o 22.7007 6.35766 2.94071      3.42219  5.38972      3.33276  21.7146     88.4556     4.68708     268.456     
1 1 1 24 7  26 o 17.6397 5.61295 3.08232      3.3849   -1.9496      3.29227  19.0961     101.732     5.03993     101.732     
1 1 1 24 7  27 o 16.8169 5.4077  0.955508     3.05306  0.457545     3.07864  7.83065     341.402     20.2195     161.402     
1 1 1 24 7  28 f 34.6444 6.14243 11.4688      3.29953  8.59134      3.31343  26.5872     51.4834     0           0           
1 1 1 24 7  29 f 18.051  5.60899 1.11056      3.06627  2.64459      3.00195  19.4761     317.291     0           0           
1 1 1 24 7  30 o 14.5569 4.86676 0.0162668    2.85777  -1.65556     2.9383   12.8873     356.625     5.17625     356.625     
1 1 1 24 7  31 o 14.3738 4.83804 -1.39022     2.98648  -0.577537    2.90503  5.75392     37.6326     3.16881     37.6326     
1 1 1 24 7  32 o 12.223  4.25612 -1.97004     2.86171  -4.71583     2.78974  7.64812     138.318     1.79104     138.318     
1 1 1 24 7  33 o 17.4711 5.3002  -2.58261     2.93133  4.73749      2.91275  18.5984     326.005     9.43051     326.005     
1 1 1 24 7  34 o 17.1818 5.35617 -1.44638     2.98489  4.05044      2.97531  10.2164     15.854      5.61152     15.854      
1 1 1 24 7  35 o 17.0169 5.44315 1.21998      3.11158  2.161        3.02033  7.45693     296.616     3.25154     296.616     
1 1 1 24 7  36 o 17.4753 5.50725 1.52976      3.03268  2.95485      3.00725  16.0443     279.11      4.44272     279.11      
1 1 1 24 7  37 o 13.3948 4.59106 -1.87877     3.04419  -0.514734    2.86221  8.06618     114.46      1.73315     114.46      
1 1 1 24 7  38 o 14.8462 4.95515 -0.731093    3.06203  1.69339      2.94333  14.0968     153.278     5.11911     153.278     
1 1 1 24 7  39 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 8  0  o 11.7256 5.68054 -1.50742     3.27165  -1.50742     3.27165  0.545676    5.32534e-05 0.446057    180         
1 1 1 24 8  1  o 18.6733 5.84378 0.272499     3.26345  0.289569     3.37493  16.125      4.52766     2.78829     184.528     
1 1 1 24 8  2  o 18.9646 5.9223  -0.280405    3.32257  1.00402      3.47588  3.40712     150.982     33.6981     330.982     
1 1 1 24 8  3  o 19.8929 5.97133 2.23033      3.24344  0.22592      3.19641  18.8946     222.94      8.52749     222.94      
1 1 1 24 8  4  o 36.3922 5.85929 13.6183      3.42911  4.65378      3.42264  44.9897     305.494     8.22729     305.494     
1 1 1 24 8  5  o 26.2976 6.53438 3.19307      3.3674   6.06342      3.36832  23.7839     233.036     9.42316     53.0356     
1 1 1 24 8  6  o 44.1808 5.51504 10.9283      3.50153  14.5561      3.71117  55.4786     10.8819     9.92713     10.8819     
1 1 1 24 8  7  o 17.2459 5.60093 -1.08055     3.22807  -0.884136    3.55243  14.0911     47.5832     0.581713    47.5833     
1 1 1 24 8  8  o 23.8283 6.35869 0.116056     3.52311  6.0052       3.49389  28.8921     58.85       12.9723     58.85       
1 1 1 24 8  9  o 37.988  6.87459 10.2734      4.02523  10.6952      4.05135  49.5957     110.879     14.5098     110.879     
1 1 1 24 8  10 o 19.7379 6.25241 1.8159       3.81847  -1.81337     4.25702  12.9435     275.044     14.6749     95.0439     
1 1 1 24 8  11 o 19.3877 6.2198  0.160685     3.76566  -0.0925116   4.28487  17.6405     190.241     1.56311     10.2409     
1 1 1 24 8  12 f 16.0173 5.40987 -1.3573      3.72653  -5.26893     3.87341  4.28134     281.249     0           0           
1 1 1 24 8  13 o 20.7334 6.33844 1.35437      3.74041  2.11519      3.69004  22.4806     4.99364     7.40646     4.99364     
1 1 1 24 8  14 o 22.2794 6.58107 2.89007      3.74863  2.90057      3.78819  25.8503     61.7712     9.52087     61.7712     
1 1 1 24 8  15 o 23.6559 6.46419 2.85609      3.19672  5.03573      3.5363   18.2721     240.798     14.5397     60.7979     
1 1 1 24 8  16 o 19.145  5.77112 -1.50036     3.35119  3.33186      3.10078  20.4712     288.843     9.7547      288.843     
1 1 1 24 8  17 o 19.1391 5.8309  0.482087     3.15979  2.43156      3.15045  21.2506     110.452     9.69219     110.452     
1 1 1 24 8  18 o 17.8581 5.68089 0.0233191    3.40222  0.925291     3.17361  17.5588     246.91      0.326629    246.91      
1 1 1 24 8  19 o 24.0774 6.86917 5.7721       4.32508  3.62224      3.51276  31.806      245.716     15.5505     245.716     
1 1 1 24 8  20 o 17.7584 5.72549 -1.63877     3.58424  1.69863      3.49151  18.9345     201.484     4.26896     201.484     
1 1 1 24 8  21 o 22.2334 6.42515 6.54892      3.91284  -0.346816    3.65237  28.3155     325.16      17.3799     325.16      
1 1 1 24 8  22 o 22.1067 6.17709 1.97879      3.25579  5.05043      3.19009  27.213      231.4       10.817      231.4       
1 1 1 24 8  23 o 18.1194 5.60763 2.25103      3.02244  0.440264     2.99223  19.0051     125.721     7.32588     125.721     
1 1 1 24 8  24 o 22.6816 6.45537 4.65779      3.50163  3.89841      3.42108  24.8839     177.998     2.88194     177.998     
1 1 1 24 8  25 o 22.3567 6.3929  3.57071      3.40515  4.83788      3.44246  28.5075     41.9764     12.8394     41.9764     
1 1 1 24 8  26 o 14.4556 4.86058 -0.673737    2.94689  -2.12606     2.97911  13.0971     73.7187     6.2338      73.7187     
1 1 1 24 8  27 o 23.533  6.32797 5.38479      3.18135  4.70057      3.16693  32.2407     94.3652     16.9142     94.3652     
1 1 1 24 8  28 o 11.8648 4.15837 -4.15512     2.86118  -4.47362     2.86944  6.41351     117.556     9.63684     297.556     
1 1 1 24 8  29 f 19.77   5.82205 4.88653      3.09457  1.04933      3.05531  7.06883     38.9562     0           0           
1 1 1 24 8  30 o 18.5107 5.75226 3.41219      3.01629  0.860131     3.57696  20.7591     225.039     6.39801     225.039     
1 1 1 24 8  31 o 17.1085 5.44393 2.23855      3.04541  0.936291     2.99389  18.6005     178.359     7.45783     178.359     
1 1 1 24 8  32 o 18.9365 5.7314  4.4087       3.07698  1.24118      3.05927  21.9273     134.624     8.75976     134.624     
1 1 1 24 8  33 o 15.7767 5.1746  -0.0662592   3.08108  1.23341      2.96025  12.1161     88.0604     4.51004     88.0604     
1 1 1 24 8  34 o 16.7681 5.36424 1.53139      3.02275  1.53364      2.91289  13.7201     105.441     1.51788     105.441     
1 1 1 24 8  35 o 16.0134 5.20462 1.84546      2.96394  0.17193      2.95002  11.6334     214.397     2.99577     214.397     
1 1 1 24 8  36 o 16.4736 5.2601  -0.728634    2.93299  3.77704      2.99086  14.9253     153.45      4.95078     153.45      
1 1 1 24 8  37 o 16.5244 5.32597 1.34539      3.01225  2.91575      3.01076  15.6313     21.1684     8.11331     21.1684     
1 1 1 24 8  38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 9  0  o 23.1812 8.19114 5.17336      3.56568  5.17336      3.56568  33.0447     1.48818e-05 16.6465     1.48818e-05 
1 1 1 24 9  1  o 24.0954 6.99445 3.56589      4.33444  3.13793      3.97428  20.267      346.336     10.2469     166.336     
1 1 1 24 9  2  o 43.4103 6.87187 15.9767      4.16239  11.0509      4.89119  51.9559     60.4889     5.43634     60.4889     
1 1 1 24 9  3  o 40.1686 6.78321 10.5797      4.16876  12.5022      4.12649  61.3927     313.493     34.6912     313.493     
1 1 1 24 9  4  o 19.7301 6.24937 0.356611     3.80763  0.307124     4.02331  16.5512     72.4135     5.4516      252.413     
1 1 1 24 9  5  f 19.7611 6.26994 0.290502     3.85674  0.354734     4.06167  8.61365     50.1261     0           0           
1 1 1 24 9  6  o 36.7653 7.28149 8.24104      4.09421  12.4042      4.56765  30.6004     227.231     21.8931     47.2313     
1 1 1 24 9  7  o 26.661  7.10363 1.84134      3.90271  8.08217      4.46395  27.5813     185.718     1.44093     5.71839     
1 1 1 24 9  8  f 20.0541 6.17576 3.65016      3.80075  -3.66429     4.03072  9.82954     4.21818     0           0           
1 1 1 24 9  9  o 18.0617 5.78763 2.33756      3.74077  -5.176       3.70634  15.6524     82.1969     5.60514     82.1969     
1 1 1 24 9  10 f 32.291  7.10889 9.76665      3.99267  6.47315      3.99941  21.4169     294.036     0           0           
1 1 1 24 9  11 o 16.3582 5.4751  -0.20257     3.80783  -4.88715     3.60418  13.2456     209.785     1.18174     29.7851     
1 1 1 24 9  12 o 23.7363 6.31216 6.92991      3.55077  -1.11303     3.82813  29.1618     224.846     11.4174     224.846     
1 1 1 24 9  13 o 22.2012 6.29341 3.41965      3.25819  2.92476      3.295    17.1141     249.71      13.02       69.7097     
1 1 1 24 9  14 o 21.5531 6.01957 -0.344815    3.36807  5.0678       3.1617   11.9546     122.837     22.7339     302.837     
1 1 1 24 9  15 o 18.9198 5.92115 0.539267     3.73524  1.46558      3.13865  9.98235     321.19      20.0849     141.19      
1 1 1 24 9  16 o 23.8367 6.29228 1.80168      3.46927  6.11031      3.21743  22.286      89.8607     6.81046     269.861     
1 1 1 24 9  17 o 19.5072 5.99691 3.07521      3.4435   0.0152283    3.42161  22.3296     14.0431     7.29925     14.0431     
1 1 1 24 9  18 o 17.3283 5.60158 -0.190904    3.36876  0.345669     3.32258  18.2968     12.2173     3.90882     12.2173     
1 1 1 24 9  19 o 31.4949 6.97009 5.35239      4.3764   11.6579      3.94406  40.9822     8.64623     13.2849     8.64623     
1 1 1 24 9  20 o 23.0508 6.67675 3.71266      3.66505  4.66494      3.88851  22.9557     147.987     2.63284     327.987     
1 1 1 24 9  21 o 14.7895 4.99636 -3.84854     3.31332  -0.724459    3.17216  11.8045     311.87      2.969       311.87      
1 1 1 24 9  22 o 17.5283 5.5241  1.97953      3.07055  -0.253314    3.04542  17.6443     312.511     6.10221     312.511     
1 1 1 24 9  23 o 25.8473 6.63158 7.6168       3.71015  4.38773      3.16113  31.5694     143.033     8.84078     143.033     
1 1 1 24 9  24 o 21.764  6.38594 4.10549      3.57072  3.71356      3.45715  14.0805     139.463     18.8023     319.463     
1 1 1 24 9  25 o 17.9144 5.47577 5.22263      3.33422  -7.67513     3.57021  20.534      95.712      12.7728     95.712      
1 1 1 24 9  26 o 21.4032 6.22705 3.34903      3.16621  4.57354      3.44242  18.7595     36.5882     8.15918     216.588     
1 1 1 24 9  27 o 13.7133 4.67519 -2.68848     2.99942  -1.34891     2.91297  11.0924     183.392     4.60747     183.392     
1 1 1 24 9  28 o 16.3647 5.25241 -1.95476     3.00635  2.71218      3.01248  16.1757     341.274     1.31853     341.274     
1 1 1 24 9  29 o 17.8829 5.46293 -1.5844      3.04606  4.35428      3.00149  14.9126     180.449     10.0443     180.449     
1 1 1 24 9  30 o 14.4689 4.87306 0.584899     2.99629  -2.91817     3.10664  8.07914     78.675      12.6985     258.675     
1 1 1 24 9  31 o 14.07   4.76109 -0.577785    2.96056  -1.58262     2.89666  12.4208     184.117     2.03803     184.117     
1 1 1 24 9  32 o 21.9848 6.1257  6.11426      3.1025   3.50794      3.18439  22.0554     199.599     0.581026    19.599      
1 1 1 24 9  33 o 15.6227 5.12597 1.56485      2.98793  -0.696471    2.97049  10.5694     262.91      2.12494     262.91      
1 1 1 24 9  34 o 17.3285 5.38181 4.64969      3.0676   -1.8648      2.97913  8.05937     216.39      4.09678     216.39      
1 1 1 24 9  35 o 14.247  4.7992  0.440676     2.95993  -1.0522      2.85189  9.65345     330.356     1.38821     330.356     
1 1 1 24 9  36 o 15.6254 5.12224 -0.403998    3.03036  2.72178      2.97219  14.099      160.963     5.66859     160.963     
1 1 1 24 9  37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 10 0  o 11.7038 5.76348 -2.44159     3.72442  -2.44159     3.72442  2.74923     360         2.10892     180         
1 1 1 24 10 1  o 19.166  6.10347 1.25363      3.82055  -1.11089     3.83337  7.14564     292.555     4.14788     292.555     
1 1 1 24 10 2  o 26.3572 7.18388 7.54003      4.32012  1.63638      4.53799  17.5279     0.379294    22.4085     180.379     
1 1 1 24 10 3  o 23.7536 6.97385 2.66307      4.01533  4.14245      4.37846  21.4104     89.8442     6.7594      269.844     
1 1 1 24 10 4  o 19.3854 6.21804 0.496832     3.85445  -0.381389    4.20855  10.1998     138.739     5.87912     138.739     
1 1 1 24 10 5  o 18.1123 5.90525 0.0556119    3.91383  -1.65824     3.75032  16.5017     232.298     3.08512     232.298     
1 1 1 24 10 6  o 37.4437 7.06016 12.7292      4.2557   8.78411      4.15577  48.072      14.7645     13.1735     14.7645     
1 1 1 24 10 7  o 22.1409 6.56688 0.539377     3.86616  4.34418      3.90928  25.3874     75.7818     10.592      75.7818     
1 1 1 24 10 8  o 19.7326 6.23142 1.39721      3.71456  0.143127     4.05695  13.2023     30.7919     14.2767     210.792     
1 1 1 24 10 9  o 34.4166 6.85522 8.43337      3.71103  9.83246      3.87479  34.3577     62.833      8.14415     242.833     
1 1 1 24 10 10 o 28.9614 6.8252  6.21244      3.42114  6.96703      3.71082  37.0035     173.697     12.6602     173.697     
1 1 1 24 10 11 o 18.0908 5.80004 2.23633      3.74416  -2.78884     3.43106  17.6727     359.914     6.26301     359.914     
1 1 1 24 10 12 o 19.7048 5.87139 -2.29775     3.53748  4.07814      3.24608  22.0369     282.038     9.36051     282.038     
1 1 1 24 10 13 o 24.4797 6.43983 6.22287      3.43175  2.66878      3.27947  29.3211     157.743     7.82719     157.743     
1 1 1 24 10 14 o 19.9132 5.96806 -0.424241    3.33754  3.80196      3.31962  22.3811     156.227     6.19781     156.227     
1 1 1 24 10 15 f 17.2541 5.58189 0.865888     3.43005  -0.991812    3.24489  30.13       245.607     0           0           
1 1 1 24 10 16 o 29.3285 6.48171 3.2592       3.6833   10.541       3.65465  44.5529     107.432     28.0841     107.432     
1 1 1 24 10 17 o 24.1967 6.61692 5.89368      3.62239  3.4781       3.47743  33.0905     80.1475     20.7242     80.1475     
1 1 1 24 10 18 o 18.1087 5.88745 -1.01893     3.74196  1.40312      3.83456  15.7617     134.476     9.37776     134.476     
1 1 1 24 10 19 o 20.0732 6.05716 -0.804848    3.38346  4.69426      3.60403  18.1143     233.184     12.1722     233.184     
1 1 1 24 10 20 o 18.2026 5.6276  3.7881       3.27371  -2.80763     3.27322  17.9813     133.177     1.36656     133.177     
1 1 1 24 10 21 o 32.3014 6.63322 9.51818      3.52768  8.26466      3.47741  38.6536     347.579     6.60042     347.579     
1 1 1 24 10 22 o 17.9227 5.61323 0.246858     3.08121  2.30909      3.12145  14.1541     208.715     9.09972     208.715     
1 1 1 24 10 23 o 19.3809 5.88749 4.79545      3.49499  -0.496018    3.11748  15.09       6.59731     10.6099     186.597     
1 1 1 24 10 24 o 18.7283 5.88684 1.59448      3.43322  2.3797       3.39061  14.966      176.716     9.44988     356.716     
1 1 1 24 10 25 o 12.8493 4.46619 -3.12743     3.00015  -4.16649     3.16297  10.2624     193.513     3.39223     193.513     
1 1 1 24 10 26 o 15.733  5.15573 -0.870555    3.033    0.94082      2.96038  13.3086     28.3683     7.62533     28.3683     
1 1 1 24 10 27 o 18.8785 5.77593 2.42681      3.15501  2.81918      3.02514  21.8898     298.566     8.64911     298.566     
1 1 1 24 10 28 o 14.3367 4.82501 -1.47221     2.95992  -0.532994    2.89792  11.2548     116.375     4.87513     116.375     
1 1 1 24 10 29 o 17.3303 5.47765 2.98948      3.07372  0.357787     3.00154  17.4392     222.719     9.97689     222.719     
1 1 1 24 10 30 o 16.4312 5.33895 -1.72088     3.03891  3.12966      3.29809  14.2686     212.622     8.01701     212.622     
1 1 1 24 10 31 o 14.6699 4.88349 -3.19649     3.01658  1.56337      2.90002  11.5121     92.0484     0.0895787   272.048     
1 1 1 24 10 32 o 16.3813 5.36524 0.833477     3.02656  1.18294      3.38976  9.49871     59.715      11.8706     239.715     
1 1 1 24 10 33 o 18.469  5.69475 2.29595      3.14042  3.39423      2.99896  16.5586     27.2467     6.38571     27.2467     
1 1 1 24 10 34 f 12.8485 4.42718 -3.08093     2.89185  -0.883782    2.80363  6.2746      287.392     0           0           
1 1 1 24 10 35 o 14.5214 4.86706 -1.43481     2.97676  1.61382      2.93877  11.2294     4.48347     3.89407     4.48347     
1 1 1 24 10 36 o 17.7643 5.56256 2.80076      3.00681  3.41524      3.02262  20.1361     205.664     7.62873     205.664     
1 1 1 24 10 37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 11 0  o 11.19   5.62895 -4.40095     4.19751  -4.40095     4.19751  2.9497      1.50799e-05 2.60553     180         
1 1 1 24 11 1  o 20.264  6.30482 2.31956      3.8319   0.230571     3.85652  18.6502     241.892     10.4148     241.892     
1 1 1 24 11 2  o 17.4687 5.73094 0.546771     3.85435  -2.71978     3.56033  15.6613     19.3446     1.9271      19.3446     
1 1 1 24 11 3  o 32.5269 6.28126 2.34385      4.02024  13.1075      3.81196  31.3184     272.259     9.73962     92.2593     
1 1 1 24 11 4  o 24.8726 6.18899 -1.26319     4.00901  7.69744      3.36537  26.4622     301.164     0.477305    301.164     
1 1 1 24 11 5  o 19.0823 5.96371 -0.335086    3.70846  1.8599       3.31412  18.0039     75.9551     0.407959    255.955     
1 1 1 24 11 6  o 23.3598 6.51897 2.50049      3.86303  4.69446      3.28494  18.4742     108.438     12.8249     288.438     
1 1 1 24 11 7  o 19.4827 6.09883 3.24256      4.0262   -1.11066     3.26838  17.6727     16.0628     9.95725     16.0628     
1 1 1 24 11 8  f 37.4854 6.47075 10.0515      3.86631  11.0447      3.55847  39.9619     206.237     0           0           
1 1 1 24 11 9  o 22.1797 6.31534 4.19695      3.35597  2.20851      3.35151  22.6824     209.04      0.339124    29.04       
1 1 1 24 11 10 o 17.916  5.69651 -0.947809    3.39452  1.49404      3.28446  11.9665     169.118     7.20449     169.118     
1 1 1 24 11 11 o 17.5201 5.67421 -0.749977    3.33553  0.589272     3.5674   17.8655     236.644     5.17024     236.644     
1 1 1 24 11 12 o 17.7757 5.69109 1.62412      3.33077  -1.48218     3.52912  15.6374     83.2864     4.20981     263.286     
1 1 1 24 11 13 o 18.8711 5.91556 0.970276     3.51538  1.50207      3.32831  18.9419     248.608     0.141783    248.608     
1 1 1 24 11 14 o 28.9511 7.13031 7.06125      3.71177  7.66392      4.08944  33.1076     204.975     3.40806     204.975     
1 1 1 24 11 15 o 26.3016 6.89488 3.07086      3.66171  8.70673      4.11857  29.5423     256.731     2.95637     256.731     
1 1 1 24 11 16 o 22.174  6.38374 4.70695      3.48744  2.39344      3.46996  27.9601     51.6729     14.0596     51.6729     
1 1 1 24 11 17 o 19.3781 5.9576  1.02819      3.29737  2.7133       3.37201  21.7723     339.992     9.79254     339.992     
1 1 1 24 11 18 o 20.2222 6.13719 2.84413      3.54137  2.25904      3.3134   22.0121     65.5576     5.20891     65.5576     
1 1 1 24 11 19 f 13.199  4.56198 -3.03135     3.02361  -4.11695     3.13278  2.31714     163.427     0           0           
1 1 1 24 11 20 o 21.4571 6.18788 1.91757      3.32849  4.9522       3.3157   26.3485     9.18644     11.8736     9.18644     
1 1 1 24 11 21 o 28.0632 6.71096 8.1663       3.50659  6.21425      3.4523   30.553      192.124     0.358491    192.125     
1 1 1 24 11 22 o 15.9253 5.19886 -2.96484     3.11429  1.87816      3.09375  15.1418     197.104     0.680775    17.1043     
1 1 1 24 11 23 o 16.7095 5.44491 1.72584      3.42092  -0.816825    3.07754  18.6621     222.469     7.63777     222.469     
1 1 1 24 11 24 o 19.0043 5.98938 -0.888869    4.06957  4.21007      3.53944  21.5834     187.446     6.37821     187.446     
1 1 1 24 11 25 o 19.3053 5.89614 -0.7733      3.52642  5.11441      3.41413  21.945      44.5777     6.43427     44.5778     
1 1 1 24 11 26 o 15.307  5.0643  0.0725475    2.9839   -0.320196    2.97108  14.7522     164.811     3.28967     164.811     
1 1 1 24 11 27 o 13.7034 4.64761 -4.72173     2.90898  0.532463     2.89702  11.0571     321.215     3.42085     321.215     
1 1 1 24 11 28 o 13.671  4.66347 -1.68371     2.94927  -1.50847     2.93464  11.5406     359.563     1.93832     359.563     
1 1 1 24 11 29 o 13.0791 4.49568 -0.303066    2.89865  -4.84348     2.91906  9.13361     269.885     1.90582     269.885     
1 1 1 24 11 30 f 15.7012 5.12995 1.91287      2.97808  -0.904376    2.9231   12.2944     73.6525     0           0           
1 1 1 24 11 31 o 20.1945 5.92938 2.57209      3.12102  4.98709      3.0818   20.2504     160.618     9.42472     160.618     
1 1 1 24 11 32 o 16.7632 5.30852 -1.28332     3.05444  3.61077      2.95832  12.0886     198.782     4.23125     198.782     
1 1 1 24 11 33 o 19.3687 5.84444 3.36285      3.13036  4.34208      3.05504  19.5651     269.495     3.35277     269.495     
1 1 1 24 11 34 o 16.1197 5.24    -0.0256783   3.09947  3.14521      3.01389  5.72461     239.573     3.45701     239.573     
1 1 1 24 11 35 o 13.611  4.64745 -1.61939     2.92689  0.0311802    2.95931  11.833      274.458     0.212066    94.4581     
1 1 1 24 11 36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 12 0  o 66.6757 3.92913 26.2106      3.96739  26.2106      3.96739  102.504     1.94653e-06 50.3492     1.94653e-06 
1 1 1 24 12 1  f 26.3767 6.17206 0.75553      3.43856  8.85767      3.4577   16.4994     258.573     0           0           
1 1 1 24 12 2  o 34.2838 6.16666 14.2138      3.82779  3.98363      3.53132  41.0514     42.2984     6.22217     42.2984     
1 1 1 24 12 3  f 22.6808 6.40429 6.79578      3.97173  -0.611673    3.36739  9.65709     224.68      0           0           
1 1 1 24 12 4  o 17.8377 5.70417 -0.838301    3.39971  1.17281      3.36385  9.4695      230.94      5.76328     230.94      
1 1 1 24 12 5  o 16.2453 5.40395 -2.76824     3.74361  -0.526304    3.29059  10.0049     249.784     12.3649     69.7843     
1 1 1 24 12 6  o 20.1876 6.28147 1.99303      3.9912   1.55836      3.56989  12.6542     198.867     17.2554     18.8667     
1 1 1 24 12 7  o 18.7021 5.98057 2.32072      3.83144  -1.52704     3.67186  14.4972     72.9275     9.23642     252.928     
1 1 1 24 12 8  o 20.6952 6.43639 4.52407      4.29509  -0.937698    3.86401  19.8797     39.8854     2.53404     219.886     
1 1 1 24 12 9  f 17.7809 5.78473 -0.865828    4.03547  0.581995     3.33391  16.5168     254.985     0           0           
1 1 1 24 12 10 o 21.7771 6.43986 3.88         3.69136  2.49877      3.55855  27.605      264.819     16.2756     264.819     
1 1 1 24 12 11 o 18.927  5.87938 3.79893      3.5781   -2.41329     3.47366  19.6241     192.046     1.73248     192.046     
1 1 1 24 12 12 o 17.0004 5.54756 1.88275      3.51895  -3.99806     3.58398  16.6161     275.975     1.30326     275.975     
1 1 1 24 12 13 o 23.2953 6.44156 2.24486      3.54011  5.85767      3.45423  30.6744     123.068     18.062      123.068     
1 1 1 24 12 14 o 18.8675 5.90114 2.28855      3.36011  0.42294      3.47193  15.124      318.586     8.24644     138.586     
1 1 1 24 12 15 o 18.4581 5.82062 0.0828928    3.40777  2.15243      3.37591  19.1276     205.09      9.0511      205.09      
1 1 1 24 12 16 o 25.9102 6.53465 7.49251      3.36319  3.76117      3.60146  32.3831     38.7287     11.5434     38.7287     
1 1 1 24 12 17 o 19.3878 5.97097 2.61234      3.2505   1.5774       3.47552  20.578      183.06      4.54767     183.06      
1 1 1 24 12 18 o 19.6449 5.78521 5.36946      3.28713  -2.97892     3.5114   23.0029     149.498     11.726      149.498     
1 1 1 24 12 19 o 21.5276 6.27566 0.0418156    3.40846  6.68003      3.80633  20.8843     244.641     2.9969      64.6408     
1 1 1 24 12 20 o 21.0182 6.1393  5.43347      3.43824  1.32386      3.27214  27.0788     242.341     14.81       242.341     
1 1 1 24 12 21 o 20.1751 6.07895 2.22996      3.40862  3.87708      3.30293  22.9814     297.83      5.27189     297.83      
1 1 1 24 12 22 o 17.8123 5.52498 -1.45225     3.13497  3.74811      3.09028  16.4671     242.348     3.17168     62.3483     
1 1 1 24 12 23 o 16.9974 5.50574 2.02925      3.3997   -0.222854    3.11388  18.2173     264.746     5.55284     264.746     
1 1 1 24 12 24 o 18.8324 5.964   3.08226      3.48152  1.67995      3.70896  21.4201     75.4564     8.5646      75.4564     
1 1 1 24 12 25 o 19.5833 5.85298 -1.38223     3.27064  6.20628      3.47262  17.7272     285.311     4.58229     105.311     
1 1 1 24 12 26 o 17.0927 5.41929 3.61318      3.14892  -1.39871     3.04746  8.66181     182.703     18.0248     2.70274     
1 1 1 24 12 27 o 17.6695 5.58094 1.96504      3.03778  2.17102      3.15987  18.0753     193.569     10.3207     193.569     
1 1 1 24 12 28 f 15.1948 5.03303 1.48012      3.03129  -1.67962     2.95728  15.3176     125.69      0           0           
1 1 1 24 12 29 o 17.7039 5.56372 0.632475     3.11992  3.44904      3.0958   16.5658     200.574     3.75185     200.574     
1 1 1 24 12 30 o 18.8896 5.89197 2.66002      3.13173  3.58087      3.55574  11.4199     188.097     6.00307     188.097     
1 1 1 24 12 31 o 16.3197 5.23361 -2.25015     3.09989  3.53816      3.01188  10.3311     161.2       3.87198     161.2       
1 1 1 24 12 32 o 16.8951 5.3696  3.94168      3.05883  -0.111077    2.97901  15.6208     74.5467     3.49343     74.5467     
1 1 1 24 12 33 o 15.4289 5.09393 1.78817      3.01235  0.529134     2.97222  14.0441     124.683     1.88057     124.683     
1 1 1 24 12 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 12 35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 13 0  o 49.634  5.91267 16.3213      4.13402  16.3213      4.13402  64.5747     180         14.6691     180         
1 1 1 24 13 1  o 21.3763 6.51078 2.66397      3.81376  2.91605      3.95584  24.0252     114.283     5.47208     114.283     
1 1 1 24 13 2  o 22.4131 6.74475 3.38375      3.72215  3.59308      4.45906  26.7641     176.114     17.8481     176.114     
1 1 1 24 13 3  o 25.0653 7.01028 5.94709      3.93891  4.48776      4.1505   30.0411     154.149     8.21801     154.149     
1 1 1 24 13 4  o 25.0582 6.83458 5.92451      3.79721  4.42081      3.69945  34.5521     354.421     21.2206     354.421     
1 1 1 24 13 5  o 21.9982 6.47802 4.19689      3.68114  2.43074      3.64094  22.5485     282.726     0.556413    102.726     
1 1 1 24 13 6  o 33.1556 6.75643 12.9903      3.93837  5.38273      4.17797  49.4444     79.8566     28.181      79.8566     
1 1 1 24 13 7  o 19.9456 6.25545 2.35506      3.79133  1.17967      3.88424  22.3799     98.1134     13.2733     98.1134     
1 1 1 24 13 8  o 28.2312 7.03465 5.78523      3.96216  8.11143      3.79112  30.2107     114.894     0.379769    294.895     
1 1 1 24 13 9  o 16.6002 5.50207 -6.03098     3.64551  1.90491      3.77533  14.8941     322.158     1.51669     142.158     
1 1 1 24 13 10 o 14.6599 5.04361 -2.95821     3.84302  -3.83422     3.36655  11.0732     349.518     4.45941     169.518     
1 1 1 24 13 11 o 15.1362 5.16951 -3.16817     3.94127  -2.43018     3.34078  10.7743     245.231     4.17794     245.231     
1 1 1 24 13 12 o 20.7615 6.22728 0.463783     3.73457  4.48614      3.51445  24.1862     218.97      11.7238     218.97      
1 1 1 24 13 13 o 18.7584 6.03369 3.55239      4.22337  -1.55356     3.43057  17.3037     41.303      1.57009     221.303     
1 1 1 24 13 14 o 19.5798 6.06257 4.00849      3.70187  -0.141756    3.44275  21.438      313.816     8.54134     313.816     
1 1 1 24 13 15 f 15.1225 5.0896  -1.73799     3.29921  -1.34974     3.20895  12.6143     345.313     0           0           
1 1 1 24 13 16 o 19.4015 5.87787 -0.337734    3.26811  4.2879       3.33042  19.286      173.621     0.147113    353.621     
1 1 1 24 13 17 o 23.9337 5.69293 9.3138       3.33994  -2.09974     3.25707  30.4059     332.603     11.2051     332.603     
1 1 1 24 13 18 o 19.2931 5.80298 4.69738      3.26221  -0.657415    3.21212  21.5374     106.71      4.70847     106.71      
1 1 1 24 13 19 o 21.9606 6.44165 2.02795      3.49244  6.41354      3.84957  25.2144     227.501     18.9071     227.501     
1 1 1 24 13 20 o 22.2185 6.34511 1.30399      3.98451  6.69085      3.46595  14.6758     63.1806     18.2428     243.181     
1 1 1 24 13 21 o 16.5648 5.39388 1.60712      3.21255  -0.593936    3.19843  16.6845     23.7733     2.38582     23.7733     
1 1 1 24 13 22 o 19.1617 6.03087 3.13381      3.59985  2.22624      3.58283  20.8356     113.634     4.83399     113.634     
1 1 1 24 13 23 o 16.7311 5.55082 0.75114      3.39559  0.126624     3.87329  13.6484     188.141     7.95835     188.141     
1 1 1 24 13 24 o 13.3204 4.59359 -1.11278     2.97721  -4.71608     3.27243  10.7192     131.984     0.383415    131.984     
1 1 1 24 13 25 o 23.6352 6.10507 8.21954      3.22911  2.43914      3.19889  23.8758     76.7997     1.74666     256.8       
1 1 1 24 13 26 o 15.3459 5.10039 0.483635     3.1014   -0.395478    3.06076  9.06269     121.662     4.91058     121.662     
1 1 1 24 13 27 o 20.4727 6.03616 4.79563      3.21066  3.33776      3.14648  22.9798     346.993     10.087      346.993     
1 1 1 24 13 28 o 17.7645 5.6071  2.10828      3.1233   2.32753      3.12285  15.2791     11.9952     5.09467     11.9952     
1 1 1 24 13 29 o 14.8019 4.92276 2.07322      2.98791  -3.8266      3.06099  8.28998     183.895     0.17801     183.895     
1 1 1 24 13 30 o 14.8645 4.9511  -2.10511     3.08166  1.57554      2.94053  7.74457     125.389     2.16548     125.389     
1 1 1 24 13 31 o 12.992  4.48574 -0.644899    2.98316  -2.89083     2.9093   8.00288     73.2953     0.194238    253.295     
1 1 1 24 13 32 o 16.9592 5.40931 0.582106     3.11541  4.03549      3.05785  17.154      91.6123     8.37553     91.6123     
1 1 1 24 13 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 14 0  o 41.6563 7.48346 13.0282      4.15009  13.0282      4.15009  43.7942     5.09266e-06 7.90584     180         
1 1 1 24 14 1  o 16.8888 5.57804 -4.00671     3.70374  1.43452      3.69884  11.7476     51.3007     6.65466     51.3007     
1 1 1 24 14 2  o 36.1855 6.96738 11.661       3.97286  10.2675      4.02421  42.0526     54.5909     4.57089     54.591      
1 1 1 24 14 3  o 15.736  5.31777 -1.85836     3.63689  -2.20609     3.6171   13.7301     123.604     4.63777     123.604     
1 1 1 24 14 4  o 19.068  6.10998 0.884837     4.20173  1.31792      3.56523  12.372      291.144     14.5541     111.144     
1 1 1 24 14 5  o 19.0842 6.01202 1.36867      3.53395  1.54667      3.60959  18.1295     349.545     1.1399      169.545     
1 1 1 24 14 6  o 17.2039 5.71555 -0.710758    3.57877  -0.66411     4.13008  12.1383     178.463     9.78102     358.463     
1 1 1 24 14 7  o 29.9418 6.58603 1.38634      3.71475  13.9784      4.40682  35.0623     216.388     5.94263     216.388     
1 1 1 24 14 8  o 20.3782 6.25454 -0.390622    3.63527  4.77695      3.91664  19.2392     5.58513     2.13804     185.585     
1 1 1 24 14 9  o 29.9766 6.72995 5.08091      3.69303  10.6097      3.75706  35.6863     103.935     7.54854     103.935     
1 1 1 24 14 10 o 21.7791 6.44718 0.706531     3.66119  6.00415      3.9267   25.7037     60.6296     11.8409     60.6296     
1 1 1 24 14 11 o 43.0958 6.09753 11.5544      3.92556  17.384       3.8713   62.4939     133.081     30.1104     133.081     
1 1 1 24 14 12 o 24.9799 6.63542 4.28728      3.73452  6.68739      3.4097   32.5715     350.501     15.7679     350.501     
1 1 1 24 14 13 o 23.209  6.39039 7.54444      3.69536  1.07675      3.48091  26.5281     26.0228     5.6991      26.0228     
1 1 1 24 14 14 o 28.7732 6.4622  4.65916      3.61757  9.97617      3.41883  35.058      72.1175     8.67296     72.1176     
1 1 1 24 14 15 o 20.4296 6.02656 5.56141      3.44513  0.00872226   3.31362  19.2942     179.894     3.65631     359.894     
1 1 1 24 14 16 o 19.8879 6.14751 2.25279      3.9906   3.22724      3.27185  22.0455     281.558     4.34894     281.558     
1 1 1 24 14 17 o 18.0322 5.9209  1.58476      4.70508  0.842823     3.18316  17.7969     67.6622     11.396      67.6622     
1 1 1 24 14 18 o 14.5073 4.97326 -1.73237     3.68376  -2.53813     3.1618   13.2087     1.73746     5.00974     1.73746     
1 1 1 24 14 19 o 18.8363 6.03534 1.14367      4.52809  2.78391      3.30616  20.5715     146.196     12.2049     146.196     
1 1 1 24 14 20 o 15.8457 5.27565 0.925656     3.37728  -1.38388     3.29202  15.5042     106.591     5.48478     106.591     
1 1 1 24 14 21 o 17.4318 5.56054 3.21017      3.30515  -0.558718    3.16592  9.54127     12.1194     16.7081     192.119     
1 1 1 24 14 22 o 16.0596 5.29627 -1.70401     3.63275  1.58059      3.05008  15.6049     266.754     6.5011      266.754     
1 1 1 24 14 23 o 16.3786 5.44486 -0.0454132   3.67599  1.00771      3.3862   16.3604     296.814     5.05227     296.814     
1 1 1 24 14 24 o 27.332  6.04774 0.582897     3.98061  12.9896      3.69301  34.575      181.908     12.1073     181.908     
1 1 1 24 14 25 o 18.4771 5.74763 0.749419     3.40246  4.17562      3.18813  17.8349     88.9725     1.35181     88.9725     
1 1 1 24 14 26 o 23.0264 6.45077 4.63655      3.24246  6.88002      3.5803   26.831      92.9833     15.1385     92.9833     
1 1 1 24 14 27 o 15.0424 5.04847 -2.65983     2.98126  1.75953      3.33895  5.57964     92.7557     0.936112    92.7557     
1 1 1 24 14 28 o 15.9223 5.22037 1.30856      3.05304  0.460172     3.05951  11.6289     78.5418     1.7313      78.5418     
1 1 1 24 14 29 o 18.6173 5.75211 3.62415      3.14721  3.22086      3.09888  18.0742     101.91      2.90605     101.91      
1 1 1 24 14 30 o 22.8366 6.06996 3.61007      3.18711  8.30997      3.12016  23.5258     116.028     0.885175    116.028     
1 1 1 24 14 31 o 15.4169 5.10994 1.47023      3.06991  0.773783     3.04119  14.3526     98.5319     0.861817    98.5319     
1 1 1 24 14 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 15 0  o 25.3578 8.33266 6.71976      3.60746  6.71976      3.60746  18.6286     180         20.4876     8.65163e-06 
1 1 1 24 15 1  o 18.3942 5.84705 1.45501      3.47758  0.969191     3.44744  17.4743     104.125     0.702138    104.125     
1 1 1 24 15 2  o 20.5338 6.22006 2.78645      3.54099  2.86302      3.47916  3.31096     342.081     2.3908      342.081     
1 1 1 24 15 3  o 23.7833 6.59454 5.71451      3.61026  3.99087      3.46762  29.4601     176.382     19.273      176.382     
1 1 1 24 15 4  o 20.3274 6.15319 4.37037      3.50577  0.526712     3.63469  21.9587     102.31      5.47947     102.31      
1 1 1 24 15 5  o 18.2988 5.75125 -2.1375      3.48201  3.54772      3.43398  15.8114     167.006     9.18449     167.006     
1 1 1 24 15 6  o 13.7198 4.74478 -4.14662     3.38305  -3.14789     3.30109  10.0938     243.034     0.23209     63.0338     
1 1 1 24 15 7  o 23.8094 6.53468 3.93512      3.52611  5.85272      3.43107  30.712      6.1173      16.0333     6.1173      
1 1 1 24 15 8  o 22.4968 6.52169 5.36537      3.78653  3.20001      3.45521  28.2436     146.208     15.0557     146.208     
1 1 1 24 15 9  o 29.9608 7.03036 7.54157      3.93593  9.37877      3.74226  40.2768     310.284     18.0472     310.284     
1 1 1 24 15 10 o 18.3251 5.83794 -0.130457    3.66192  2.5999       3.43148  18.5157     84.3556     11.2131     84.3556     
1 1 1 24 15 11 o 20.3472 6.14438 5.31479      3.68822  0.421589     3.38098  24.6622     80.8274     15.2039     80.8274     
1 1 1 24 15 12 o 15.7417 5.3005  0.71435      3.54043  -3.94898     3.7112   11.3323     37.8818     6.98978     37.8818     
1 1 1 24 15 13 o 19.2671 6.10099 4.4423       3.74312  -1.65648     4.34313  17.9119     150.396     3.33971     330.396     
1 1 1 24 15 14 o 22.166  6.67943 4.22751      3.94853  5.10731      4.07318  25.7273     313.593     18.6558     313.593     
1 1 1 24 15 15 o 22.2344 6.49773 7.67267      4.04611  1.31767      3.55815  26.811      259.377     9.57492     259.377     
1 1 1 24 15 16 o 26.6356 6.83693 7.83673      3.66658  6.60812      3.59211  27.6509     39.6135     1.02113     219.614     
1 1 1 24 15 17 o 17.4564 5.64303 1.24662      3.40041  1.38092      3.38523  15.4979     270.986     9.4924      270.986     
1 1 1 24 15 18 o 18.9853 5.8746  0.159085     3.45642  4.50667      3.38615  21.3707     103.541     8.11956     103.541     
1 1 1 24 15 19 o 17.4373 5.64231 3.42093      3.54671  -1.36657     3.47383  18.1019     185.232     8.74789     185.232     
1 1 1 24 15 20 o 16.578  5.49768 -1.3716      3.49459  2.1857       3.65302  16.4917     97.8615     4.07086     97.8615     
1 1 1 24 15 21 f 24.8982 6.75191 5.99429      4.02028  7.83494      3.49773  20.6287     17.1642     0           0           
1 1 1 24 15 22 o 16.7424 5.604   1.05323      4.41866  0.482045     3.25129  16.3805     71.2264     6.39563     71.2264     
1 1 1 24 15 23 o 17.9344 5.84334 4.09555      3.86609  -0.365169    3.75743  17.4831     272.09      5.23014     272.09      
1 1 1 24 15 24 o 16.389  5.55428 -1.37196     3.26191  2.40556      4.50803  12.7394     269.721     2.40369     269.721     
1 1 1 24 15 25 o 18.0273 5.62886 5.29816      3.41306  -1.70963     3.18537  15.2912     86.7642     2.79685     86.7642     
1 1 1 24 15 26 o 19.9483 5.86766 7.31109      3.50823  -0.49768     3.04275  18.1532     246.818     9.53724     246.818     
1 1 1 24 15 27 o 20.03   6.08838 5.64122      3.464    3.0912       3.39948  19.5113     78.411      10.6695     78.411      
1 1 1 24 15 28 o 18.3957 5.82595 1.31708      3.2399   5.82108      3.65525  3.84107     320.603     2.57718     320.603     
1 1 1 24 15 29 o 17.4934 5.50162 0.0781075    3.17333  5.02841      3.13776  18.2422     155.995     5.25895     155.995     
1 1 1 24 15 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 16 0  o 22.7304 8.17086 5.88606      3.58037  5.88606      3.58037  35.6907     1.14474e-05 22.7493     1.14474e-05 
1 1 1 24 16 1  o 15.5641 5.25487 -4.48717     3.43231  0.880121     3.67961  13.2484     248.982     6.52286     248.982     
1 1 1 24 16 2  o 14.2901 4.92085 -2.43472     3.41854  -3.61342     3.55988  11.9261     39.8493     1.54857     219.849     
1 1 1 24 16 3  o 18.8393 5.93153 0.771485     3.51717  2.92074      3.49841  21.5726     207.494     9.52807     207.494     
1 1 1 24 16 4  o 17.9332 5.7782  0.997764     3.43219  1.34349      3.6046   19.3772     305.597     5.62918     305.597     
1 1 1 24 16 5  o 21.5769 6.34877 5.44968      3.58782  2.14327      3.5836   25.6986     184.188     8.90903     184.188     
1 1 1 24 16 6  o 27.4711 6.85757 10.2456      3.975    4.46186      3.68039  34.427      297.598     11.5151     297.598     
1 1 1 24 16 7  o 21.701  6.53311 5.42037      3.91459  2.69343      3.84741  22.781      353.359     1.2635      353.359     
1 1 1 24 16 8  o 15.9952 5.35249 1.47171      3.69233  -3.26364     3.33427  16.2933     54.7912     3.51526     54.7912     
1 1 1 24 16 9  o 18.1274 5.75334 4.2452       3.63722  -2.25808     3.40002  14.1284     272.383     9.94117     272.383     
1 1 1 24 16 10 o 19.9534 6.25673 2.21392      3.93812  3.61582      3.76165  13.3439     71.4615     14.8109     251.462     
1 1 1 24 16 11 o 17.8402 5.78576 0.450426     3.62409  2.03986      3.61611  13.8101     231.497     9.30768     231.497     
1 1 1 24 16 12 o 15.0073 5.08512 1.07719      3.44629  -5.56574     3.51377  8.3997      283.3       12.9656     103.3       
1 1 1 24 16 13 o 25.2768 6.63855 8.53084      3.60374  4.16337      3.70759  27.2676     19.7352     1.96975     19.7352     
1 1 1 24 16 14 o 19.581  6.1314  3.03067      3.48486  3.0363       3.84639  20.6425     39.8027     3.55392     39.8027     
1 1 1 24 16 15 o 17.2005 5.72416 1.40407      4.29192  0.150975     3.45655  16.9539     50.1648     2.67285     50.1648     
1 1 1 24 16 16 o 17.4126 5.60954 3.10441      3.34542  -1.02039     3.54802  17.9218     126.407     4.58139     126.407     
1 1 1 24 16 17 o 15.215  5.06512 2.57319      3.24279  -6.40495     3.40331  13.7408     171.97      5.09746     171.97      
1 1 1 24 16 18 o 14.3945 4.92673 -1.39102     3.26407  -1.83395     3.44592  12.3897     321.445     2.50517     321.445     
1 1 1 24 16 19 o 17.5025 5.77882 1.99477      3.46337  0.699283     4.37947  17.0064     218.13      9.08967     218.13      
1 1 1 24 16 20 o 16.1691 5.5214  -1.16578     3.37454  1.0586       4.72524  14.3696     237.321     1.36855     237.321     
1 1 1 24 16 21 o 17.8929 5.77454 3.03364      3.35464  0.956932     3.88455  13.4574     249.02      7.10296     249.02      
1 1 1 24 16 22 o 17.7764 5.72972 1.42388      3.66161  2.62361      3.33266  14.5541     85.069      2.12013     265.069     
1 1 1 24 16 23 o 15.0818 5.12131 -1.47289     3.19932  0.264398     3.65468  6.39411     171.567     0.659408    171.567     
1 1 1 24 16 24 o 16.0979 5.26114 -1.18228     3.12839  2.63451      3.15007  7.9455      150.335     2.83825     150.335     
1 1 1 24 16 25 o 15.7477 5.24904 3.36735      3.54183  -2.53628     3.12549  12.2349     238.237     1.14951     238.237     
1 1 1 24 16 26 o 16.9817 5.54097 3.99343      3.55274  0.661143     3.22502  13.2438     269.896     6.6767      269.896     
1 1 1 24 16 27 o 15.6928 5.20614 1.46381      3.25243  1.23506      3.11129  14.6099     70.0933     4.67786     70.0933     
1 1 1 24 16 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 16 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 17 0  o 10.0215 5.05494 -3.3323      3.47257  -3.3323      3.47257  4.68872     180         0.341781    6.32938e-05 
1 1 1 24 17 1  o 16.4356 5.51452 -2.30953     3.42598  1.50384      4.02093  9.84332     121.071     6.32394     121.071     
1 1 1 24 17 2  o 19.0432 5.9051  5.11297      3.5385   -2.79174     3.96304  21.8638     13.2273     8.56069     13.2273     
1 1 1 24 17 3  o 19.6845 6.08131 3.85909      3.52645  1.80249      3.52085  20.427      321.942     2.12158     321.942     
1 1 1 24 17 4  o 19.6094 6.09905 2.24932      3.59505  3.38697      3.55663  23.1016     155.294     11.2231     155.294     
1 1 1 24 17 5  o 20.7386 6.34302 4.29738      3.93604  3.16866      3.49107  23.1151     140.362     5.83623     140.362     
1 1 1 24 17 6  o 18.6346 5.93625 3.70917      3.78117  0.273852     3.46219  14.2312     211.002     9.16635     31.0022     
1 1 1 24 17 7  o 19.007  5.97708 -1.04997     4.19571  4.33131      3.46857  19.7068     317.658     2.88107     317.658     
1 1 1 24 17 8  o 17.7061 5.82577 0.35411      3.74235  1.85788      3.95928  17.0683     60.8118     0.686047    60.8118     
1 1 1 24 17 9  o 14.1699 4.91741 -5.27519     3.79226  -1.59253     3.63169  10.8624     6.7983      3.94072     6.7983      
1 1 1 24 17 10 o 15.1333 5.1519  -1.6759      3.41541  -1.00475     3.66554  13.5335     276.236     1.53195     276.236     
1 1 1 24 17 11 o 16.8622 5.55802 -0.825781    3.49159  2.00433      3.61813  15.8096     356.541     0.552201    356.541     
1 1 1 24 17 12 o 17.3505 5.68173 2.15602      3.57265  -0.035568    3.69581  14.2389     226.552     8.56529     226.552     
1 1 1 24 17 13 o 25.557  6.60707 3.7197       3.54648  9.85307      3.76672  25.0306     135.285     3.12765     315.285     
1 1 1 24 17 14 o 18.5634 5.85482 1.62318      3.42009  3.40949      3.42353  19.8005     214.665     10.8773     214.665     
1 1 1 24 17 15 o 20.7649 6.21052 5.50373      3.53174  2.93677      3.3962   24.3811     153.945     10.4105     153.945     
1 1 1 24 17 16 o 14.4224 4.98163 -1.00973     3.31322  -4.18654     4.16825  11.56       239.17      3.91036     239.17      
1 1 1 24 17 17 o 21.784  6.49631 3.49329      3.93455  6.68778      3.75552  25.4568     63.351      11.3316     63.351      
1 1 1 24 17 18 o 15.4788 5.25844 1.68949      3.559    -5.26315     4.21096  3.48618     125.952     1.62584     125.952     
1 1 1 24 17 19 o 15.5165 5.26753 -0.916251    3.46724  -0.0518889   3.80929  9.5831      318.137     2.30814     318.137     
1 1 1 24 17 20 o 27.776  6.71751 13.0384      4.05727  4.1661       3.83159  31.6212     105.644     8.07783     105.644     
1 1 1 24 17 21 o 13.7939 4.83484 -3.68654     4.18446  -3.32677     3.54572  3.24215     195.033     0.118578    15.0326     
1 1 1 24 17 22 o 18.0302 6.02817 1.91722      4.49303  2.83557      4.35908  14.947      106.645     4.94576     106.645     
1 1 1 24 17 23 o 17.0902 5.66724 1.35809      3.22927  3.09429      4.25411  14.7118     218.762     0.980386    218.762     
1 1 1 24 17 24 o 17.6604 5.64243 4.47577      3.20554  0.877858     3.70388  12.9531     231.54      7.5689      231.54      
1 1 1 24 17 25 o 17.7178 5.74468 3.05066      3.245    3.51947      3.88836  8.72938     260.728     5.88843     260.728     
1 1 1 24 17 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 17 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 18 0  o 12.7957 6.18258 -0.0363017   3.81921  -0.0363017   3.81921  2.94615     180         1.1949      180         
1 1 1 24 18 1  o 19.1111 6.04505 2.16526      3.77461  3.18373      3.56467  20.6315     279.139     6.36368     279.139     
1 1 1 24 18 2  o 25.9375 6.57906 10.053       3.67784  3.2856       3.9565   25.3521     36.5335     3.24624     216.534     
1 1 1 24 18 3  o 16.4454 5.47142 -0.765577    3.57384  1.09836      3.57349  15.8207     124.417     6.43903     124.417     
1 1 1 24 18 4  o 24.7785 6.62205 3.13371      4.07444  9.13319      3.69138  25.6661     243.792     0.579009    243.792     
1 1 1 24 18 5  o 17.0214 5.57637 4.62865      3.87101  -5.30108     3.49994  13.7748     202.641     8.06844     202.641     
1 1 1 24 18 6  o 21.888  6.55969 3.448        3.92523  6.30349      3.88221  25.8204     261.993     10.5094     261.993     
1 1 1 24 18 7  o 19.9743 6.17218 6.68765      3.95006  -1.06094     3.84998  19.2027     30.2436     0.69789     210.244     
1 1 1 24 18 8  o 29.018  7.01447 10.5377      3.77699  7.74425      3.99318  30.7945     84.2074     0.96207     84.2074     
1 1 1 24 18 9  o 19.1431 6.09919 3.40019      3.64417  2.51527      3.98906  19.9281     318.7       4.18482     318.7       
1 1 1 24 18 10 o 13.5452 4.72256 -3.35731     3.46161  -3.29674     3.58908  10.4958     49.9278     0.578156    229.928     
1 1 1 24 18 11 o 19.0977 6.02461 3.91182      3.49271  2.0184       3.83274  20.09       47.6946     4.76258     47.6946     
1 1 1 24 18 12 f 18.1652 5.75977 4.38182      3.50116  -0.29656     3.41088  7.58385     165.273     0           0           
1 1 1 24 18 13 o 21.4048 6.25571 7.0435       3.53651  1.66652      3.75432  23.2363     295.877     5.63282     295.877     
1 1 1 24 18 14 o 24.1572 6.91989 6.28264      3.90215  8.00005      4.11679  28.1942     286.678     10.6558     286.678     
1 1 1 24 18 15 o 13.893  4.82598 -3.13228     3.64073  -2.34853     3.51231  8.54537     57.3596     2.95794     237.36      
1 1 1 24 18 16 o 19.4938 6.09348 0.703374     3.83413  5.60273      3.71804  17.1196     66.1777     8.11906     66.1777     
1 1 1 24 18 17 o 20.0389 6.19673 2.09183      3.79989  5.56636      3.68078  8.64515     177.717     5.14213     177.717     
1 1 1 24 18 18 o 13.1491 4.63658 -5.81391     3.69879  -3.31351     3.82704  2.42069     139.105     0.51693     319.105     
1 1 1 24 18 19 o 18.0514 5.89597 4.76614      3.9796   -0.3387      3.88601  12.8313     109.323     5.70854     109.323     
1 1 1 24 18 20 o 16.46   5.48985 1.46125      3.6784   1.20037      3.56663  13.3383     248.847     0.746648    248.847     
1 1 1 24 18 21 o 15.5971 5.32985 -1.97206     4.4286   1.79697      3.63434  9.61056     204.528     3.96456     204.528     
1 1 1 24 18 22 o 16.6604 5.73961 -1.31468     5.84502  3.20647      4.28038  15.034      286.087     1.69085     286.087     
1 1 1 24 18 23 o 17.1461 5.71039 -2.87649     3.64969  6.85137      4.26341  17.4423     122.068     5.35101     122.068     
1 1 1 24 18 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 19 0  o 11.5287 5.67326 -1.02989     3.59167  -1.02989     3.59167  2.67986     180         0.576022    180         
1 1 1 24 19 1  o 26.0777 6.83293 9.68103      3.73911  5.58955      4.0271   30.8309     177.423     9.36764     177.423     
1 1 1 24 19 2  o 17.132  5.60707 -1.74032     3.5882   3.52246      3.635    9.63983     24.2427     6.15059     24.2427     
1 1 1 24 19 3  o 16.2139 5.48344 0.791243     3.9991   -0.894549    3.7256   14.2062     190.676     6.63433     190.676     
1 1 1 24 19 4  o 20.0486 6.27505 2.90657      4.04155  4.71735      3.73046  21.9813     6.70441     7.19691     6.70442     
1 1 1 24 19 5  o 16.8387 5.64531 0.807149     3.9843   0.550298     3.86529  14.0822     299.767     3.01414     119.767     
1 1 1 24 19 6  o 17.0846 5.63615 -4.40622     3.86411  4.46694      3.89082  15.4426     191.943     0.301651    191.943     
1 1 1 24 19 7  o 15.6021 5.31139 -0.0155173   3.51438  -1.56602     4.10528  7.09968     276.077     3.56579     276.077     
1 1 1 24 19 8  o 16.5834 5.4694  3.57047      3.56429  -3.81185     3.7613   13.6048     104.108     5.48583     104.108     
1 1 1 24 19 9  o 18.0234 5.74474 4.49035      3.53869  -0.563899    3.46568  16.4736     311.812     1.6124      311.812     
1 1 1 24 19 10 o 14.161  4.89092 -2.01026     3.44838  -2.28673     3.57874  8.7351      58.8208     0.558438    238.821     
1 1 1 24 19 11 o 17.8203 5.72328 5.65063      3.7939   -4.08566     3.71996  5.39334     266.461     2.9504      266.461     
1 1 1 24 19 12 o 12.8178 4.52321 -4.56511     3.7052   -5.15977     3.54301  5.14548     102.963     7.28636     282.963     
1 1 1 24 19 13 o 16.5885 5.5399  1.82056      3.80645  -0.325101    3.61925  11.1075     47.2173     1.14046     47.2173     
1 1 1 24 19 14 o 14.2448 4.93069 -0.0502705   3.6593   -4.92787     3.62317  2.89062     239.432     0.14567     239.432     
1 1 1 24 19 15 o 19.5542 6.07181 -0.236806    3.87651  6.56522      3.7561   18.2817     111.341     4.8789      111.341     
1 1 1 24 19 16 o 17.2405 5.56761 -1.60972     3.74776  4.15552      3.34531  13.43       174.423     4.7583      174.423     
1 1 1 24 19 17 o 24.1097 6.68793 10.1161      3.97789  4.94562      3.43388  27.4615     148.376     9.66115     148.376     
1 1 1 24 19 18 o 14.3679 4.92022 2.0944       3.43979  -4.52197     3.3784   10.3604     352.343     0.875555    352.343     
1 1 1 24 19 19 o 14.1802 4.86568 -0.0839376   3.36426  -1.17143     3.27771  10.9896     204.64      1.49183     204.64      
1 1 1 24 19 20 o 15.3044 5.13988 -2.01209     3.6917   2.4528       3.1918   13.3091     337.535     5.92481     337.535     
1 1 1 24 19 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 19 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 20 0  o 9.97497 5.04795 -3.31328     3.57643  -3.31328     3.57643  0.307187    180         0.954224    360         
1 1 1 24 20 1  o 29.9013 6.30707 14.7608      3.90317  3.56832      3.79357  40.2724     296.309     23.2383     296.309     
1 1 1 24 20 2  o 16.7911 5.63639 1.67212      4.24077  -0.0360772   3.57648  6.26513     330.943     2.62359     330.943     
1 1 1 24 20 3  o 19.7121 6.12548 -1.08709     4.4625   6.27854      3.69536  18.3542     94.8167     4.55248     94.8167     
1 1 1 24 20 4  o 18.0553 5.92478 0.241586     3.94395  3.78221      4.0289   13.8368     339.725     4.41931     339.725     
1 1 1 24 20 5  o 18.1463 5.87606 3.76354      3.65763  0.444631     3.94354  14.6458     190.025     3.08596     190.025     
1 1 1 24 20 6  o 17.3091 5.70322 -0.562067    3.62897  3.37222      3.85994  10.6524     264.252     3.26641     264.252     
1 1 1 24 20 7  o 16.4085 5.48288 2.24703      3.6026   -1.67353     3.87703  5.45565     227.976     1.68177     227.976     
1 1 1 24 20 8  o 19.4367 6.01706 5.9525       3.64499  0.508941     3.58455  14.454      138.767     6.95632     138.767     
1 1 1 24 20 9  o 19.7114 6.20996 5.48872      3.89988  2.21745      3.84404  12.6198     51.2307     6.90337     51.2307     
1 1 1 24 20 10 o 22.421  6.68119 6.72504      4.02627  5.71981      3.848    22.5076     59.4239     4.31178     59.4239     
1 1 1 24 20 11 o 15.644  5.3243  1.80647      3.71497  -3.2834      4.09197  4.70509     356.387     1.73155     356.387     
1 1 1 24 20 12 o 21.3026 6.49986 6.00491      3.89222  5.6123       3.8807   21.951      352.863     11.4425     352.863     
1 1 1 24 20 13 o 15.6441 5.27656 0.634203     3.74271  0.737071     3.33857  12.0879     339.31      1.5517      339.31      
1 1 1 24 20 14 o 14.4177 4.90737 -2.73943     3.31576  1.48086      3.23059  9.92723     265.865     2.01928     265.865     
1 1 1 24 20 15 o 26.6641 6.45116 5.4853       3.60862  11.8056      3.53653  30.1194     313.752     6.95031     313.752     
1 1 1 24 20 16 o 15.5542 5.20362 2.92502      3.41126  -1.12539     3.25994  13.2788     7.83449     5.79365     7.83449     
1 1 1 24 20 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 20 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 20 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 21 0  o 9.23525 4.71749 -4.12367     3.46477  -4.12367     3.46477  0.761564    360         5.52676     180         
1 1 1 24 21 1  o 18.3523 5.89333 4.30087      3.66069  1.89998      3.65406  12.4459     13.1229     6.50495     13.1229     
1 1 1 24 21 2  o 13.954  4.8658  -5.30967     4.03755  -0.587204    3.61613  8.18838     105.63      3.6607      285.63      
1 1 1 24 21 3  o 14.862  5.12461 -0.579045    4.05585  -1.2454      3.53628  9.93679     8.78982     0.464364    188.79      
1 1 1 24 21 4  o 17.0112 5.69217 0.857146     3.9017   2.87725      4.01599  13.638      339.302     0.985361    159.302     
1 1 1 24 21 5  o 19.5015 6.00118 7.37788      3.65341  -0.661448    3.99969  18.8299     226.881     9.13265     226.881     
1 1 1 24 21 6  o 21.0572 6.31484 0.770704     3.67221  9.8071       4.08744  21.8476     243.424     6.06624     243.424     
1 1 1 24 21 7  o 13.4846 4.70899 -1.41391     3.46026  -3.50703     3.69181  8.42958     280.508     1.43307     100.508     
1 1 1 24 21 8  o 18.7646 5.84655 -3.20911     3.78839  8.25378      3.81304  18.7543     113.092     5.90313     113.092     
1 1 1 24 21 9  o 14.0102 4.87129 -1.42199     3.63942  -1.62172     3.69694  7.76092     175.254     2.50525     175.254     
1 1 1 24 21 10 o 14.1381 4.90984 -1.01256     3.71154  -1.57747     3.66671  8.62886     13.363      3.17359     13.363      
1 1 1 24 21 11 o 17.4974 5.73716 3.97861      3.8793   2.20708      3.47285  16.2593     84.9124     1.04167     84.9124     
1 1 1 24 21 12 o 20.5258 6.20753 6.33316      3.53108  4.46105      3.49235  22.9132     146.52      7.9722      146.52      
1 1 1 24 21 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 21 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 21 15 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 0  o 19.7539 7.90899 5.94022      3.70553  5.94022      3.70553  10.8524     360         8.44992     360         
1 1 1 24 22 1  o 15.9346 5.40939 3.42334      4.05349  -1.29049     3.57425  14.7395     201.86      6.4708      201.86      
1 1 1 24 22 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 3  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 24 22 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 0  1  o 10.2665 5.12592 -3.29703     3.2633   -3.29703     3.2633   4.22436     90          30.5037     90          
1 1 1 25 0  2  o 19.5484 7.64629 3.58881      3.36523  3.58881      3.36523  20.5484     4.06957e-06 5.43588     180         
1 1 1 25 0  3  o 27.3094 8.11786 6.5054       3.43351  6.5054       3.43351  13.1908     270         40.4226     90          
1 1 1 25 0  4  o 13.3735 6.24402 -0.0432079   3.32281  -0.0432079   3.32281  4.8248      360         0.0576725   180         
1 1 1 25 0  5  o 15.2235 6.77019 1.31183      3.32953  1.31183      3.32953  10.142      270         2.61431     270         
1 1 1 25 0  6  o 12.0988 5.82314 -1.19642     3.31823  -1.19642     3.31823  2.31202     3.10501e-09 0.98588     180         
1 1 1 25 0  7  o 12.2726 5.87333 -0.936251    3.27945  -0.936251    3.27945  0.801485    270         29.6276     270         
1 1 1 25 0  8  o 10.447  5.1753  -2.62049     3.13129  -2.62049     3.13129  1.45511     180         3.11151     360         
1 1 1 25 0  9  o 9.04401 4.59674 -4.655       3.10466  -4.655       3.10466  2.36019     90          19.9002     90          
1 1 1 25 0  10 o 13.416  6.22323 0.223354     3.21902  0.223354     3.21902  5.77967     1.88176e-05 0.251588    1.88176e-05 
1 1 1 25 0  11 o 26.8449 8.14116 6.48963      3.44206  6.48963      3.44206  16.4882     270         32.4729     90          
1 1 1 25 0  12 o 13.4939 6.37214 -0.228999    3.62775  -0.228999    3.62775  7.50973     180         14.7865     8.65148e-06 
1 1 1 25 0  13 o 10.9156 5.43751 -3.14869     3.60527  -3.14869     3.60527  0.958773    270         21.2234     90          
1 1 1 25 0  14 o 17.5579 7.72503 2.57536      4.21476  2.57536      4.21476  20.304      180         8.42972     180         
1 1 1 25 0  15 o 16.228  7.36032 1.68425      4.16851  1.68425      4.16851  9.24941     90          4.79321     90          
1 1 1 25 0  16 o 39.1421 7.51234 11.4226      3.91334  11.4226      3.91334  51.7975     2.35065e-06 8.54274     2.35065e-06 
1 1 1 25 0  17 o 55.7193 4.57193 18.9799      3.78529  18.9799      3.78529  81.2738     270         27.3719     270         
1 1 1 25 0  18 o 11.469  5.54583 -1.01945     3.08599  -1.01945     3.08599  8.36778     360         6.32694     180         
1 1 1 25 0  19 o 13.8612 6.52707 0.312928     3.76019  0.312928     3.76019  15.0906     90          4.49498     90          
1 1 1 25 0  20 o 17.7684 7.59603 3.21358      3.81555  3.21358      3.81555  19.8243     180         2.68675     8.66285e-06 
1 1 1 25 0  21 o 18.9012 7.85575 3.89775      3.86935  3.89775      3.86935  21.8557     90          15.0315     90          
1 1 1 25 0  22 o 16.8105 7.05625 2.83482      3.17711  2.83482      3.17711  21.9834     360         8.30443     360         
1 1 1 25 0  23 o 12.1907 6.02374 -2.07426     4.16536  -2.07426     4.16536  3.76636     90          0.667672    90          
1 1 1 25 0  24 o 16.8445 7.57213 2.76731      4.29377  2.76731      4.29377  16.1727     1.36815e-06 7.337       180         
1 1 1 25 0  25 o 12.3204 6.06088 -1.53387     4.09017  -1.53387     4.09017  11.3168     270         1.75349     270         
1 1 1 25 0  26 o 19.2088 8.14508 4.65762      4.31548  4.65762      4.31548  28.5516     360         19.1575     360         
1 1 1 25 0  27 o 17.7399 7.24146 3.61634      3.19343  3.61634      3.19343  21.2232     90          0.313416    90          
1 1 1 25 0  28 o 9.31504 4.6976  -3.04637     2.99299  -3.04637     2.99299  5.55696     180         2.1355      8.65147e-06 
1 1 1 25 0  29 f 17.8604 7.47083 3.93777      3.53898  3.93777      3.53898  32.0618     90          0           0           
1 1 1 25 0  30 o 11.405  5.56271 -0.770728    3.26306  -0.770728    3.26306  8.19852     2.87062e-06 8.38844     180         
1 1 1 25 0  31 o 12.6836 5.98894 0.678611     3.20335  0.678611     3.20335  7.49862     270         14.3772     90          
1 1 1 25 0  32 o 51.5721 5.30217 18.1637      3.9514   18.1637      3.9514   76.3963     1.53217e-06 30.3741     1.53217e-06 
1 1 1 25 0  33 o 12.5972 5.9664  0.672018     3.22267  0.672018     3.22267  3.40004     270         0.843201    270         
1 1 1 25 0  34 o 13.986  6.46365 1.70085      3.42539  1.70085      3.42539  10.6004     1.11863e-06 6.76365     180         
1 1 1 25 0  35 o 27.4632 8.97228 9.34485      4.17909  9.34485      4.17909  15.6473     270         13.2047     270         
1 1 1 25 0  36 o 12.4726 5.88214 1.009        3.07378  1.009        3.07378  0.69209     180         0.184318    180         
1 1 1 25 0  37 o 13.9868 6.37264 2.30205      3.17041  2.30205      3.17041  11.2643     90          9.39305     270         
1 1 1 25 0  38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 1  0  o 38.5893 6.98753 10.3775      3.5889   10.3775      3.5889   27.6366     270         39.129      90          
1 1 1 25 1  1  o 53.3072 4.80494 14.9869      3.8195   20.4578      3.7658   73.274      165.24      18.6536     165.24      
1 1 1 25 1  2  o 26.5604 6.69136 4.70293      3.44549  4.93569      3.4516   36.0732     275.125     16.791      275.125     
1 1 1 25 1  3  f 39.2582 6.06256 13.0858      3.5966   7.90816      3.59381  40.344      190.6       0           0           
1 1 1 25 1  4  o 18.3334 5.78365 -0.319889    3.34207  0.349027     3.30242  17.7324     136.164     2.42506     136.164     
1 1 1 25 1  5  o 32.1067 6.11754 11.1734      3.48372  2.96507      3.50283  43.1906     198.874     13.3875     198.874     
1 1 1 25 1  6  o 18.3982 5.78549 -0.583347    3.34194  0.762252     3.27762  17.5538     246.575     5.624       246.575     
1 1 1 25 1  7  o 17.9352 5.6954  -1.9763      3.42021  1.04573      3.28024  16.7759     37.5822     1.4765      37.5822     
1 1 1 25 1  8  o 26.3976 6.56411 3.11836      3.38035  6.39181      3.4472   26.0822     79.2969     7.08475     259.297     
1 1 1 25 1  9  o 20.6644 6.12919 3.10736      3.43725  0.285825     3.2628   23.2739     29.0156     8.16181     29.0156     
1 1 1 25 1  10 o 25.2968 6.57403 3.72763      3.36552  5.06376      3.39465  32.3893     162.274     11.4418     162.274     
1 1 1 25 1  11 o 25.8556 6.94053 3.48824      3.88618  5.88782      3.8505   30.9906     4.3972      6.0596      4.3972      
1 1 1 25 1  12 o 25.6951 6.69387 4.91836      3.49906  4.56028      3.48043  35.2471     356.27      22.8207     356.27      
1 1 1 25 1  13 o 19.0126 5.88099 3.24908      3.52428  -3.30737     3.56852  18.3256     134.681     1.94348     314.681     
1 1 1 25 1  14 o 18.0423 5.90359 -0.207808    4.04424  -1.15314     3.68736  16.1287     220.625     7.65786     220.625     
1 1 1 25 1  15 o 15.6894 5.24866 -4.27632     3.50108  -0.484019    3.35376  12.6223     17.0577     4.8541      197.058     
1 1 1 25 1  16 o 21.2776 6.26202 0.959677     3.45754  4.01852      3.49677  26.5093     20.4476     14.5622     20.4476     
1 1 1 25 1  17 o 20.8049 6.09116 3.77735      3.27001  1.06083      3.25208  23.6262     59.1279     3.46173     59.1279     
1 1 1 25 1  18 o 27.261  6.81052 4.70183      3.56979  7.51167      3.68912  27.3646     288.71      7.4395      108.71      
1 1 1 25 1  19 o 22.47   6.57258 5.57373      3.84495  0.981743     3.94183  29.3798     168.53      11.798      168.53      
1 1 1 25 1  20 o 17.1577 5.66132 -0.0962112   3.75058  -1.12412     3.60731  15.0388     98.2413     9.20081     98.2413     
1 1 1 25 1  21 o 21.2138 6.59037 -0.944519    4.54166  5.00465      4.25287  25.9917     229.675     16.3803     229.675     
1 1 1 25 1  22 o 35.6202 6.49232 6.84814      3.8178   14.1102      3.82163  51.0963     59.2392     20.5411     59.2392     
1 1 1 25 1  23 o 17.5424 5.72627 0.59049      3.70446  -0.152946    3.51601  17.9287     55.0413     2.13245     55.0413     
1 1 1 25 1  24 o 30.1552 7.05958 5.21279      3.82153  12.0119      4.27607  38.7049     116.299     9.69227     116.299     
1 1 1 25 1  25 o 19.8972 6.09646 4.4905       3.58282  0.0652982    3.61291  25.1688     342.303     11.3369     342.303     
1 1 1 25 1  26 o 18.1    5.84828 1.92857      3.62452  0.424839     3.68626  22.0242     81.7815     12.7671     81.7815     
1 1 1 25 1  27 o 22.8679 6.80199 5.03883      3.76619  5.32061      4.41054  22.1222     0.700321    6.51145     180.7       
1 1 1 25 1  28 o 19.7521 6.24053 3.1115       3.93123  2.72753      3.82397  24.8796     89.2259     10.6461     89.2259     
1 1 1 25 1  29 o 29.2491 6.93316 8.09148      3.59969  9.39521      3.76771  33.1491     358.288     0.225923    358.288     
1 1 1 25 1  30 o 22.2281 6.26043 6.84855      3.46175  2.5402       3.24311  28.2408     132.397     9.73899     132.397     
1 1 1 25 1  31 o 42.0911 6.00997 11.5597      3.82586  18.7965      3.70149  65.6215     341.788     34.5005     341.788     
1 1 1 25 1  32 o 15.4392 5.19616 0.286368     3.17795  -1.12754     3.67327  14.8461     68.7417     6.6906      68.7417     
1 1 1 25 1  33 o 14.4152 4.88125 -2.46636     3.26697  0.175507     3.01127  11.036      26.1783     2.42704     26.1783     
1 1 1 25 1  34 o 17.6682 5.73284 1.22196      3.21201  2.90467      3.84172  16.3717     198.09      3.68596     198.09      
1 1 1 25 1  35 o 18.2475 5.65056 4.91865      3.23443  -0.180054    3.17862  13.6855     83.5032     7.65087     83.5032     
1 1 1 25 1  36 o 13.5613 4.65146 0.250276     2.94128  -3.65261     3.2872   9.82026     63.008      1.1705      63.008      
1 1 1 25 1  37 o 17.7161 5.74991 5.09345      3.69365  1.06903      3.56782  19.8767     57.1554     10.1221     57.1554     
1 1 1 25 1  38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 2  0  o 40.2307 6.69718 10.9941      3.604    10.9941      3.604    58.4309     270         18.5114     270         
1 1 1 25 2  1  o 17.7331 5.67412 -1.43404     3.39865  0.278783     3.2962   11.5342     21.2471     5.35203     21.2471     
1 1 1 25 2  2  o 24.2174 6.5322  4.60112      3.40836  2.5988       3.45507  20.6577     198.343     12.6703     18.3425     
1 1 1 25 2  3  o 46.2619 5.34181 16.3023      3.66923  11.3249      3.59736  68.5268     248.593     27.5635     248.593     
1 1 1 25 2  4  o 18.3355 5.73986 1.59931      3.3359   -1.68271     3.21858  4.3182      31.3476     31.7348     211.348     
1 1 1 25 2  5  o 35.3059 6.38542 7.38416      3.49954  10.015       3.52831  48.506      323.81      15.9166     323.81      
1 1 1 25 2  6  o 33.3452 6.63793 9.86992      3.76645  6.09883      3.45764  42.7343     210.631     9.2137      210.631     
1 1 1 25 2  7  o 21.1344 6.35776 2.45244      3.39598  0.777523     3.96087  22.3375     185.287     2.04314     185.287     
1 1 1 25 2  8  o 33.2485 6.79754 8.00787      3.52114  8.10415      3.83861  44.8697     98.594      14.3445     98.594      
1 1 1 25 2  9  o 28.7015 6.60844 7.58179      3.45581  4.2361       3.45942  29.6694     238.657     5.92409     58.6569     
1 1 1 25 2  10 o 20.6201 6.20525 2.70537      3.50829  0.563969     3.47485  22.3104     138.844     3.58907     138.844     
1 1 1 25 2  11 o 21.831  6.28167 4.27684      3.42891  0.387698     3.51085  19.7206     201.414     13.2732     201.414     
1 1 1 25 2  12 o 29.729  5.81275 -0.358071    3.60168  11.7292      3.56799  31.0972     200.691     6.32888     20.6909     
1 1 1 25 2  13 o 16.1504 5.40731 -1.64522     3.33505  -2.78888     3.84702  14.1634     80.1077     0.676298    80.1077     
1 1 1 25 2  14 o 29.5638 7.21684 8.28936      4.17747  5.93559      3.84431  43.9462     256.455     25.4939     256.455     
1 1 1 25 2  15 o 22.0084 6.45722 1.72689      3.55     4.07308      3.71047  9.58466     343.6       7.16538     343.6       
1 1 1 25 2  16 o 19.6509 6.04601 1.2408       3.46021  1.87583      3.38854  22.1435     267.432     4.90052     267.432     
1 1 1 25 2  17 o 19.3278 6.00995 1.27927      3.27087  1.53219      3.64202  18.4476     350.624     4.22485     170.624     
1 1 1 25 2  18 o 31.6598 7.26087 10.7397      4.14528  6.69647      4.23876  37.3125     204.284     1.99538     204.284     
1 1 1 25 2  19 f 26.4706 7.37559 6.24653      4.7604   6.35358      4.13448  31.6363     355.336     0           0           
1 1 1 25 2  20 o 18.227  6.07161 -0.700687    4.50008  -0.623879    4.31382  18.1585     223.479     1.50175     43.4786     
1 1 1 25 2  21 o 16.3795 5.5527  -0.44282     4.00858  -4.60166     4.15147  16.8085     164.23      5.86922     164.23      
1 1 1 25 2  22 o 16.4451 5.47745 -4.15461     3.4798   1.29491      3.7893   15.7473     11.8157     0.305963    191.816     
1 1 1 25 2  23 o 19.5272 5.91778 2.61303      3.15178  1.89771      3.22249  12.3168     176.788     18.2411     356.788     
1 1 1 25 2  24 o 15.5975 5.18634 -0.699419    3.18354  -1.03576     3.19736  1.92495     241.94      1.16354     241.94      
1 1 1 25 2  25 o 13.5089 4.64139 -5.36328     3.17348  -1.21132     3.03137  11.7437     227.705     3.97407     227.705     
1 1 1 25 2  26 o 18.2701 5.81125 2.65164      3.43438  0.242706     3.51166  20.2872     125.856     2.25146     125.856     
1 1 1 25 2  27 o 16.6839 5.58579 -0.08654     3.93955  -0.439073    3.69067  11.8206     78.3559     8.04077     78.3559     
1 1 1 25 2  28 o 17.2716 5.67103 -0.338568    3.6483   1.76235      3.63928  18.341      139.462     11.076      139.462     
1 1 1 25 2  29 o 16.6873 5.49227 -5.67732     3.96674  3.43007      3.58552  18.6041     254.955     7.9358      254.955     
1 1 1 25 2  30 o 20.1995 6.09923 5.90157      3.55069  0.467132     3.63517  26.0201     68.4343     15.0298     68.4343     
1 1 1 25 2  31 o 16.0487 5.28919 0.0136314    3.12931  1.0942       3.26334  10.7933     273.207     12.3781     93.2073     
1 1 1 25 2  32 o 21.3613 6.22536 5.50892      3.21262  3.57278      3.60194  18.9245     270.023     14.3422     270.023     
1 1 1 25 2  33 o 15.3126 5.11635 -0.364145    2.98187  0.3721       3.3449   12.9136     315.833     2.93147     315.833     
1 1 1 25 2  34 o 18.1081 5.67565 -0.326738    3.1919   4.67533      3.36503  6.90339     341.185     3.90015     341.185     
1 1 1 25 2  35 o 13.5862 4.66267 -0.777047    3.09896  -2.5945      3.00858  0.83699     176.243     0.213565    176.243     
1 1 1 25 2  36 o 15.4699 5.16901 0.0626634    3.61036  1.33687      2.9777   11.5959     48.8107     5.26288     48.8107     
1 1 1 25 2  37 o 13.1458 4.54411 -0.854408    3.04005  -2.31413     3.07152  10.5863     172.116     3.43844     172.116     
1 1 1 25 2  38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 3  0  o 40.5335 6.50003 11.0368      3.53743  11.0368      3.53743  41.6126     270         15.7536     90          
1 1 1 25 3  1  o 15.7866 5.25389 -2.78394     3.29274  -1.70085     3.29077  9.90043     275.904     10.7876     95.904      
1 1 1 25 3  2  o 15.3368 5.13659 -2.66248     3.24775  -2.42104     3.22124  10.1888     78.3105     1.11797     78.3105     
1 1 1 25 3  3  o 19.4563 6.01284 -0.00194161  3.3702   1.44931      3.4837   6.53615     214.571     29.9134     34.5712     
1 1 1 25 3  4  o 23.4119 6.45935 2.16592      3.39408  4.27969      3.42501  29.3901     28.324      14.3631     28.324      
1 1 1 25 3  5  o 16.9328 5.50222 -0.539196    3.31038  -1.57035     3.26442  8.36391     343.306     18.5914     163.306     
1 1 1 25 3  6  o 36.9587 6.15346 12.4318      3.55298  6.64006      3.518    56.0341     213.523     27.6483     213.523     
1 1 1 25 3  7  o 21.5119 6.25364 1.40934      3.38119  3.08773      3.33917  18.9217     190.767     8.41842     10.7669     
1 1 1 25 3  8  o 41.6006 6.11963 13.53        3.80524  10.3046      3.78583  55.1546     185.063     12.5807     185.063     
1 1 1 25 3  9  o 21.5278 6.31263 0.617666     3.46776  3.7          3.55511  16.1293     196.006     14.8992     16.0056     
1 1 1 25 3  10 o 18.3739 5.8317  1.17593      3.42427  -1.26034     3.53113  17.9113     133.478     0.907516    133.478     
1 1 1 25 3  11 o 22.1594 6.33019 -0.768172    3.45404  5.45056      3.75191  22.3188     235.818     2.88182     55.8179     
1 1 1 25 3  12 o 18.1238 5.78818 0.11651      3.44312  -0.00582304  3.43271  10.0534     225.173     18.8651     45.1731     
1 1 1 25 3  13 o 23.2799 6.36343 0.797943     3.42705  5.86751      3.51385  25.3779     344.471     0.364119    344.471     
1 1 1 25 3  14 o 20.2634 5.96331 4.57902      3.41191  -2.18667     3.43106  23.6396     156.015     7.55306     156.015     
1 1 1 25 3  15 o 19.9367 6.07137 -3.10306     4.14267  3.93751      3.45933  22.9596     42.435      6.57955     42.435      
1 1 1 25 3  16 o 21.6028 6.50771 -0.14547     3.96567  4.78813      3.98554  25.2814     78.8381     5.5593      78.8381     
1 1 1 25 3  17 o 20.1894 6.39807 3.58034      4.24992  -1.52128     4.24383  24.5939     240.017     10.4516     240.017     
1 1 1 25 3  18 o 18.6468 6.05765 0.939162     3.98913  -0.302866    3.97559  21.7737     88.6081     7.25434     88.6081     
1 1 1 25 3  19 o 25.6833 7.15181 6.77482      4.08695  4.5657       4.37792  37.6913     285.222     24.2315     285.222     
1 1 1 25 3  20 o 23.5494 6.54668 -3.01823     4.62151  8.16114      4.00816  15.3911     355.134     22.7506     175.134     
1 1 1 25 3  21 o 15.7146 5.2781  -2.05345     3.6097   -1.26913     3.3299   12.0969     173.386     7.95159     353.386     
1 1 1 25 3  22 o 17.4838 5.64481 1.6978       3.44114  -1.22404     3.41972  17.5824     119.703     8.71685     119.703     
1 1 1 25 3  23 o 19.4384 5.85779 4.21009      3.30277  -0.257091    3.15852  18.5259     216.127     12.3273     216.127     
1 1 1 25 3  24 o 16.4883 5.3789  -1.2443      3.32009  1.00816      3.1325   10.9348     4.03243     13.348      184.032     
1 1 1 25 3  25 f 21.4548 6.27235 4.24221      3.36709  3.32111      3.40055  21.5668     279.766     0           0           
1 1 1 25 3  26 o 20.1127 6.17244 2.31355      3.22486  3.83509      3.84534  16.1987     103.229     12.2097     283.229     
1 1 1 25 3  27 o 18.6217 5.74866 4.13951      3.25613  -0.683631    3.353    23.6432     254.97      13.4083     254.97      
1 1 1 25 3  28 o 17.8687 5.60772 3.52195      3.11457  -1.11284     3.4674   21.5058     94.4198     8.84176     94.4198     
1 1 1 25 3  29 o 21.9897 6.42552 2.48786      3.63007  6.77946      3.72301  29.0385     315.61      13.5051     315.61      
1 1 1 25 3  30 o 18.5404 5.91546 4.4194       3.68417  -0.546574    3.79472  16.9812     100.35      5.29889     280.35      
1 1 1 25 3  31 o 15.2564 5.17941 -2.28872     3.5385   0.449278     3.55423  14.066      261.323     6.93003     261.323     
1 1 1 25 3  32 o 17.7981 5.55384 4.4742       3.2082   -0.975385    3.11861  17.8921     108.508     0.0466645   108.51      
1 1 1 25 3  33 f 21.1622 6.18953 7.45901      3.70903  1.48391      3.16643  11.6476     336.526     0           0           
1 1 1 25 3  34 o 17.2369 5.47451 3.87302      3.16202  -1.02738     3.22812  15.3026     49.4393     3.44572     49.4393     
1 1 1 25 3  35 f 17.04   5.4512  -0.263389    3.17175  3.61504      3.16008  7.6715      102.903     0           0           
1 1 1 25 3  36 o 16.8166 5.44969 3.07597      3.12571  1.29052      3.34306  16.823      104.485     7.63396     104.485     
1 1 1 25 3  37 o 15.8442 5.20624 0.222602     3.13867  2.60478      3.06503  14.726      59.6814     2.33815     239.681     
1 1 1 25 3  38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 4  0  o 14.2659 6.52138 0.643908     3.35664  0.643908     3.35664  9.90416     270         10.3009     90          
1 1 1 25 4  1  o 22.2651 6.28486 0.099076     3.63362  4.40278      3.30931  15.3846     297.968     18.5125     117.968     
1 1 1 25 4  2  o 30.8121 6.46129 9.56683      3.47023  3.64575      3.71926  46.721      194.312     27.5742     194.312     
1 1 1 25 4  3  o 17.9085 5.65567 2.18801      3.48099  -3.84482     3.24983  11.4263     171.69      5.52036     171.69      
1 1 1 25 4  4  o 22.7819 6.33362 4.46969      3.34887  1.23751      3.38981  24.016      137.215     0.373048    317.215     
1 1 1 25 4  5  o 38.4594 6.10477 13.1097      3.59882  7.46416      3.56649  50.7362     249.757     11.8442     249.757     
1 1 1 25 4  6  o 21.9769 6.22147 -1.74565     3.55424  5.31665      3.59571  24.5124     57.6225     3.83758     57.6225     
1 1 1 25 4  7  o 19.9023 6.12473 0.130143     3.4848   1.99662      3.58258  20.4504     225.044     1.68527     225.044     
1 1 1 25 4  8  o 19.0463 5.98916 -1.74421     3.79101  1.88954      3.50036  19.0248     69.7468     7.97788     69.7468     
1 1 1 25 4  9  o 18.4726 5.83648 1.89365      3.46883  -2.27886     3.56561  13.6469     253.15      11.3924     73.1503     
1 1 1 25 4  10 o 34.5238 6.77688 8.57706      3.72818  9.25278      3.73712  28.2119     52.1796     24.4375     232.18      
1 1 1 25 4  11 o 16.5417 5.45231 -1.13771     3.39855  -1.53267     3.39933  10.202      244.542     13.6967     64.5422     
1 1 1 25 4  12 o 20.8078 6.39511 2.41843      3.64323  1.01636      4.06439  23.9436     305.685     11.9575     305.685     
1 1 1 25 4  13 o 17.0953 5.64613 -1.19457     3.72998  -1.19677     3.61697  10.4319     115.693     15.1435     295.693     
1 1 1 25 4  14 o 22.2674 6.65249 2.44406      4.18686  3.468        3.71732  26.5728     216.704     7.28507     216.704     
1 1 1 25 4  15 o 24.001  7.27543 6.78911      5.65588  2.06972      3.84879  24.0492     353.659     17.7314     353.659     
1 1 1 25 4  16 o 16.9314 5.75559 -1.75574     4.55664  -3.62265     4.18714  14.8414     136.083     4.81493     316.083     
1 1 1 25 4  17 o 22.9852 6.93802 5.01849      4.37694  2.33119      4.41106  28.0418     42.1326     7.30945     42.1326     
1 1 1 25 4  18 o 17.8023 5.7136  -1.77453     3.459    1.9603       3.49928  17.4358     32.3424     2.61821     212.342     
1 1 1 25 4  19 o 17.0814 5.56075 -0.231287    3.38117  -0.0482595   3.36731  19.0292     326.198     7.96041     326.198     
1 1 1 25 4  20 o 19.2302 6.00113 -0.118075    3.58152  2.93433      3.52341  19.7122     285.43      0.903467    105.43      
1 1 1 25 4  21 o 20.4925 6.22292 4.0816       3.67781  0.878691     3.50808  19.5111     131.606     4.98083     311.606     
1 1 1 25 4  22 o 19.5381 5.91843 4.74182      3.34216  -4.26849     4.29234  13.286      252.665     9.19614     252.665     
1 1 1 25 4  23 o 18.5967 5.89826 1.63321      3.29581  1.24027      3.72803  20.1452     12.6515     2.86667     12.6515     
1 1 1 25 4  24 o 20.9555 6.01077 6.14939      3.35757  -1.52738     3.70602  25.7252     209.322     7.4291      209.322     
1 1 1 25 4  25 o 16.8434 5.46701 0.707449     3.14804  0.346008     3.31461  13.7037     38.0905     9.36155     38.0905     
1 1 1 25 4  26 f 16.9058 5.44606 -1.47017     3.24288  2.39312      3.20238  13.283      163.613     0           0           
1 1 1 25 4  27 o 21.3878 6.26185 4.56512      3.16112  3.45274      3.71204  29.2082     224.356     16.4861     224.356     
1 1 1 25 4  28 o 25.0777 6.11565 2.54803      3.2955   8.78506      3.22224  35.1233     152.914     16.3233     152.914     
1 1 1 25 4  29 o 16.2175 5.30825 1.3413       3.15433  -0.386966    3.15157  10.3954     210.902     6.67853     210.902     
1 1 1 25 4  30 o 17.8039 5.67725 -0.0380599   3.7624   3.18874      3.14946  20.438      17.0097     6.42089     17.0097     
1 1 1 25 4  31 o 18.3567 5.87491 2.20302      3.56741  2.73392      3.56405  17.5709     353.301     11.7011     353.301     
1 1 1 25 4  32 o 15.5305 5.26843 1.63552      3.76922  -3.04348     3.51811  12.0705     354.046     6.00618     174.046     
1 1 1 25 4  33 o 14.0975 4.86588 -2.81439     3.41747  -1.46887     3.49849  6.95816     283.902     1.15476     283.902     
1 1 1 25 4  34 o 17.4563 5.53075 3.88209      3.20976  -0.172213    3.12994  8.02218     13.282      4.33611     13.282      
1 1 1 25 4  35 o 13.966  4.74838 0.555679     2.97468  -2.67649     3.10206  9.58989     106.927     5.95124     286.927     
1 1 1 25 4  36 o 16.1345 5.24574 -0.170316    3.02336  3.35005      3.08357  16.5595     285.002     6.26971     285.002     
1 1 1 25 4  37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 4  38 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 5  0  o 53.6134 4.78431 17.4048      3.77911  17.4048      3.77911  78.5983     270         26.7513     270         
1 1 1 25 5  1  o 25.9283 6.65742 6.09573      3.44114  2.89284      3.70619  25.3134     157.541     7.15328     337.541     
1 1 1 25 5  2  o 18.7435 5.92801 1.88275      3.62576  -2.46896     3.63197  17.4309     160.276     1.78801     340.276     
1 1 1 25 5  3  o 16.7131 5.50634 -0.159612    3.46491  -3.67221     3.59131  8.63244     237.769     17.3413     57.7687     
1 1 1 25 5  4  o 25.1713 6.79272 3.98005      3.62432  4.64399      3.70093  32.9164     180.593     14.8189     180.593     
1 1 1 25 5  5  o 19.387  6.05686 0.754832     3.55723  0.66088      3.54539  20.3298     264.314     5.86747     264.314     
1 1 1 25 5  6  o 15.3558 5.22127 -5.35721     3.86992  -2.23232     3.47227  10.4281     268.542     1.87237     268.542     
1 1 1 25 5  7  o 22.7393 6.78398 2.50804      4.1085   3.01209      4.03165  21.4709     228.728     6.05053     48.7279     
1 1 1 25 5  8  o 20.2343 6.35001 1.30465      4.0366   0.701276     3.85477  16.088      334.908     10.9658     154.908     
1 1 1 25 5  9  o 19.2103 6.13017 2.15799      3.9846   -2.37403     3.91959  18.3771     62.8882     9.26082     62.8882     
1 1 1 25 5  10 o 21.6764 6.49817 3.89606      3.85804  0.561361     3.84002  22.698      323.617     0.0604251   143.615     
1 1 1 25 5  11 o 17.9515 5.87911 0.480085     3.64752  -2.71369     4.24791  13.9793     36.412      9.13331     216.412     
1 1 1 25 5  12 o 22.0025 6.61763 3.8049       3.93523  1.46491      4.01053  24.8664     304.297     4.08277     304.297     
1 1 1 25 5  13 o 39.624  6.96448 13.6537      4.30697  10.9273      4.19064  59.2308     303.2       27.2618     303.2       
1 1 1 25 5  14 o 22.1942 6.60599 2.24329      4.02513  3.80572      3.73966  15.1486     58.4399     19.297      238.44      
1 1 1 25 5  15 o 19.4548 6.41279 0.0656233    5.07542  -0.0925703   4.31795  11.7647     359.763     19.1961     179.763     
1 1 1 25 5  16 o 32.5779 7.16885 9.82378      3.97128  8.28089      4.0321   30.902      119.9       13.7652     299.9       
1 1 1 25 5  17 o 21.0498 6.24345 5.09618      3.63273  -0.839126    3.76671  21.5277     200.722     2.903       20.7221     
1 1 1 25 5  18 o 25.8876 6.91556 5.09597      3.8313   6.33224      3.75144  24.3702     122.29      9.81463     302.29      
1 1 1 25 5  19 o 20.3324 6.11625 4.42525      3.46766  -0.695177    3.72521  19.1417     346.432     5.75669     166.432     
1 1 1 25 5  20 o 17.4355 5.73764 -1.57549     3.63201  0.940289     3.86477  18.0544     230.301     8.50776     230.301     
1 1 1 25 5  21 o 17.9877 5.86219 -0.742977    3.70691  1.44491      3.84965  16.9027     317.166     2.69574     137.166     
1 1 1 25 5  22 o 17.9261 5.79413 0.824661     3.3639   0.703823     3.79328  16.351      47.6828     9.66495     47.6828     
1 1 1 25 5  23 o 21.267  6.11482 5.23999      3.28134  1.30733      3.31382  24.2114     164.886     3.01608     164.886     
1 1 1 25 5  24 o 12.6166 4.40893 -6.32181     3.40578  -3.12521     2.9644   5.7268      80.1336     2.68479     80.1336     
1 1 1 25 5  25 f 26.3814 6.59539 6.35483      3.32959  6.68546      3.35995  22.9292     321.096     0           0           
1 1 1 25 5  26 o 14.48   4.9081  -1.03706     3.22585  -2.05727     3.04396  8.1866      138.535     4.96231     138.535     
1 1 1 25 5  27 o 22.7522 6.35893 3.28668      3.63924  6.27701      3.2796   26.0059     299.098     2.59509     299.098     
1 1 1 25 5  28 o 17.0303 5.54682 1.85704      3.62763  0.342615     3.06073  19.2705     92.5557     7.72243     92.5557     
1 1 1 25 5  29 o 16.9606 5.44312 0.38802      3.11744  2.11416      3.0988   15.925      16.7137     3.09185     196.714     
1 1 1 25 5  30 o 18.5546 5.78325 2.84747      3.23909  2.52983      3.20099  21.0932     138.581     4.91631     138.581     
1 1 1 25 5  31 o 20.3659 5.82494 6.87597      3.2578   -0.542717    3.24051  25.3613     35.559      10.4754     35.559      
1 1 1 25 5  32 o 16.0368 5.20893 -2.3324      3.0941   2.95507      3.0822   12.2304     237.982     5.20112     237.982     
1 1 1 25 5  33 o 15.4524 5.19752 -5.09199     3.50145  2.74293      3.54529  9.7701      60.5587     1.96813     60.5587     
1 1 1 25 5  34 o 19.3201 5.97704 0.143935     3.61576  6.20692      3.6159   7.41618     307.824     4.882       307.825     
1 1 1 25 5  35 o 21.0075 6.02432 2.79162      3.25389  7.03908      3.20453  24.6538     2.1705      7.26782     2.1705      
1 1 1 25 5  36 o 13.9565 4.74698 1.38665      3.06811  -2.72361     2.97986  9.11324     13.6711     4.54731     13.6711     
1 1 1 25 5  37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 6  0  o 30.4281 9.04879 8.51126      4.2658   8.51126      4.2658   34.3006     270         5.23682     90          
1 1 1 25 6  1  o 21.6327 6.61539 1.88498      4.04591  1.95652      4.03965  22.9317     279.509     1.62374     279.509     
1 1 1 25 6  2  o 23.1276 6.76038 4.36535      3.95386  1.49545      4.03834  15.5915     90.951      20.2277     270.951     
1 1 1 25 6  3  o 27.5764 7.00445 2.36271      4.11835  8.40744      4.07685  30.7936     256.87      0.382787    256.87      
1 1 1 25 6  4  o 20.049  6.31408 -1.14252     4.07365  2.20686      3.96084  19.4706     155.173     10.3898     155.173     
1 1 1 25 6  5  o 18.6815 5.99927 -2.7753      3.87908  1.66141      3.84779  16.0906     357.903     5.78052     177.903     
1 1 1 25 6  6  o 32.1882 6.59158 1.505        4.48832  13.1224      4.10775  41.6608     163.82      10.3737     163.82      
1 1 1 25 6  7  f 23.7877 6.68511 -0.112747    3.99958  6.42559      3.98558  31.3983     143.629     0           0           
1 1 1 25 6  8  o 21.2467 6.30341 -3.67593     4.04953  5.34844      3.90108  25.2349     85.0452     10.1263     85.0452     
1 1 1 25 6  9  o 25.6994 7.00151 5.36813      4.06065  4.62342      3.76523  30.9342     229.11      6.4704      229.11      
1 1 1 25 6  10 o 22.4945 6.32963 -2.14767     3.98902  6.23364      3.67598  28.7364     70.542      14.0197     70.542      
1 1 1 25 6  11 o 33.8469 6.90099 6.86726      3.93545  11.3612      3.91659  43.1315     280.719     8.84571     280.719     
1 1 1 25 6  12 o 22.2445 6.3015  1.5481       3.35549  4.72662      3.40013  26.079      222.392     5.27344     222.392     
1 1 1 25 6  13 o 22.2499 6.18927 -0.0948798   3.37274  5.84643      3.44614  29.1929     291.608     18.2787     291.608     
1 1 1 25 6  14 o 20.8624 6.34942 0.823544     3.91692  3.5173       3.63604  25.8679     284.825     10.4233     284.825     
1 1 1 25 6  15 o 21.339  6.51519 3.71911      3.665    1.11897      4.41795  24.4065     250.416     3.6759      250.416     
1 1 1 25 6  16 o 19.4109 6.17127 2.78334      3.75924  -1.31364     4.27838  24.0801     260.175     12.3919     260.175     
1 1 1 25 6  17 o 21.6037 6.58696 0.112631     3.94621  5.36912      4.27876  18.9295     251.476     9.72437     71.4758     
1 1 1 25 6  18 o 16.9784 5.57268 -0.352459    3.34399  -0.413595    3.63875  14.0818     280.12      8.28024     280.12      
1 1 1 25 6  19 o 21.9785 6.34127 4.58603      3.44983  2.45281      3.41653  28.6155     236.924     13.7606     236.924     
1 1 1 25 6  20 o 29.8982 6.67696 11.059       3.87714  4.56517      3.4623   41.5748     132.855     17.1046     132.855     
1 1 1 25 6  21 o 17.6598 5.71937 1.46313      3.44486  -0.563213    3.64681  10.0421     251.286     6.41314     251.286     
1 1 1 25 6  22 f 16.7824 5.49    -0.485       3.23187  0.659183     3.45615  5.20807     208.618     0           0           
1 1 1 25 6  23 o 17.3465 5.64602 0.78044      3.72908  0.498901     3.21582  7.31752     149.737     5.16478     149.737     
1 1 1 25 6  24 o 19.2209 5.97786 2.03965      3.60873  2.64583      3.27032  25.1487     32.0662     13.4336     32.0662     
1 1 1 25 6  25 o 20.9855 6.00872 6.29423      3.30007  -0.557452    3.62911  18.4723     19.4578     9.49931     199.458     
1 1 1 25 6  26 o 14.4364 4.87509 0.380469     3.09928  -3.7541      3.07438  13.046      164.113     6.34372     164.113     
1 1 1 25 6  27 o 17.8395 5.71227 2.42968      3.55299  1.04777      3.18238  20.8795     310.139     10.398      310.139     
1 1 1 25 6  28 o 16.6442 5.36628 2.68379      3.12292  -1.40712     3.18679  14.6373     230.169     9.08046     230.169     
1 1 1 25 6  29 o 16.4777 5.35415 1.54622      3.13144  0.443098     3.09605  15.5738     174.721     2.23988     354.721     
1 1 1 25 6  30 f 14.4978 4.90061 -0.285534    3.06621  -1.57951     3.12056  2.8306      73.9961     0           0           
1 1 1 25 6  31 o 15.0647 5.03757 0.146532     3.13238  -0.486442    3.04128  10.1481     83.3983     4.29277     83.3983     
1 1 1 25 6  32 o 15.3643 5.11231 0.0489008    3.11891  0.160036     3.09899  8.71275     351.015     2.87587     351.015     
1 1 1 25 6  33 o 14.2392 4.83127 -1.22726     3.0931   -0.648541    3.03222  8.1204      258.769     0.822854    258.769     
1 1 1 25 6  34 o 15.5956 5.26574 -0.925756    3.52863  1.52907      3.57781  2.38558     49.7215     1.22039     49.7215     
1 1 1 25 6  35 o 14.3057 4.93052 -2.62951     3.499    0.715427     3.54875  12.5147     163.784     0.569079    163.784     
1 1 1 25 6  36 o 17.0389 5.49851 6.30868      3.59227  -4.3148      3.5707   18.2294     141.793     11.2578     141.793     
1 1 1 25 6  37 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 7  0  o 15.0473 6.95149 0.769788     3.95644  0.769788     3.95644  10.8015     90          3.21283     90          
1 1 1 25 7  1  o 18.1823 5.9472  0.737875     3.98117  -2.96942     3.99668  17.1632     0.182719    0.439772    180.183     
1 1 1 25 7  2  o 22.0086 6.65806 3.39177      4.07569  1.33181      4.00464  23.7964     37.9174     2.12398     37.9174     
1 1 1 25 7  3  o 28.9384 7.32107 7.94379      4.20098  5.37727      4.17543  35.8148     187.8       7.88779     187.8       
1 1 1 25 7  4  o 17.8795 5.85783 -3.39424     3.98543  0.779294     3.8587   16.839      111.305     0.258485    291.305     
1 1 1 25 7  5  f 19.1662 6.01606 -2.83374     3.97842  2.71171      3.58455  10.0645     236.087     0           0           
1 1 1 25 7  6  o 17.0253 5.59162 -5.9488      3.90714  1.26789      3.61759  1.26013     161.19      0.699702    161.19      
1 1 1 25 7  7  f 22.646  6.48054 5.85666      3.80028  -0.727609    3.91017  8.20456     344.547     0           0           
1 1 1 25 7  8  o 20.0545 6.09527 3.02267      3.50462  0.234206     3.39158  20.3229     146.246     0.775972    326.246     
1 1 1 25 7  9  o 22.4634 6.41296 4.1164       3.46461  2.46124      3.43834  21.8239     89.2593     5.19078     269.259     
1 1 1 25 7  10 o 15.5702 5.17884 -4.11318     3.38751  -0.0659873   3.16899  14.0323     230.069     0.288948    230.069     
1 1 1 25 7  11 o 26.7797 6.85044 2.91691      3.4803   8.65626      4.1078   34.1099     26.4243     9.6082      26.4243     
1 1 1 25 7  12 o 24.4009 6.78068 6.67086      3.84804  1.88503      4.09573  32.6639     170.736     14.5211     170.736     
1 1 1 25 7  13 o 26.9727 6.73985 8.47073      3.59749  2.5816       4.35591  40.0501     351.159     23.5255     351.159     
1 1 1 25 7  14 o 17.8286 5.86555 -2.17612     4.07813  0.898199     3.85231  18.0781     157.012     0.357576    337.013     
1 1 1 25 7  15 o 21.5335 6.40584 5.46642      3.88543  -0.259991    3.77324  23.1355     210.742     0.302559    30.7414     
1 1 1 25 7  16 o 21.9242 6.51845 0.304665     3.97868  5.51281      3.91456  13.437      354.335     22.3057     174.335     
1 1 1 25 7  17 o 16.9148 5.58768 -0.722123    3.68873  -0.525289    3.51548  6.88314     350.844     4.38414     350.844     
1 1 1 25 7  18 o 24.8294 6.55232 6.93901      3.51843  3.16508      3.48968  31.3294     196.467     9.26132     196.467     
1 1 1 25 7  19 o 21.5714 6.13935 0.129656     3.39262  5.86566      3.42416  26.9307     281.923     10.6324     281.923     
1 1 1 25 7  20 o 16.625  5.56727 0.263868     4.2214   -1.65323     3.23364  16.834      334.894     5.25382     334.894     
1 1 1 25 7  21 o 29.0859 6.33271 2.22775      3.78394  12.1229      3.77553  37.2624     315.984     9.2929      315.984     
1 1 1 25 7  22 o 23.2765 6.52689 4.68635      3.3563   5.06898      3.60969  26.1308     69.1427     20.5577     69.1427     
1 1 1 25 7  23 o 18.2084 5.72685 1.98473      3.2081   1.40074      3.25587  19.1649     351.661     0.154746    171.662     
1 1 1 25 7  24 o 16.0202 5.25545 1.78437      3.23326  -2.22152     3.08754  14.6405     159.547     9.21302     159.547     
1 1 1 25 7  25 o 18.7484 5.8474  -0.491081    3.193    4.58506      3.60116  21.9423     292.643     5.88903     292.643     
1 1 1 25 7  26 o 15.6748 5.16976 1.7423       3.15906  -2.38153     3.11644  11.7973     213.128     7.10485     213.128     
1 1 1 25 7  27 o 34.5055 6.40796 9.4318       3.46376  11.9651      3.49172  47.4353     289.586     16.791      289.586     
1 1 1 25 7  28 o 16.4924 5.32123 -1.58855     3.23059  2.73189      3.05145  18.0538     307.626     8.34596     307.626     
1 1 1 25 7  29 o 17.9069 5.64168 1.08292      3.24782  3.15836      3.13816  20.6351     226.839     6.82941     226.839     
1 1 1 25 7  30 o 16.4895 5.35663 0.310106     3.13769  1.89913      3.11432  14.1483     285.097     7.2991      285.097     
1 1 1 25 7  31 o 14.4724 4.91573 -4.64609     3.58818  0.800703     3.10818  9.57311     322.71      1.59935     322.71      
1 1 1 25 7  32 o 14.3258 4.90026 -2.1921      2.99291  -0.24657     3.52474  8.39561     335.227     0.120895    155.227     
1 1 1 25 7  33 o 17.0142 5.44028 0.222698     3.19799  3.22452      3.06493  12.5916     244.685     6.26981     244.685     
1 1 1 25 7  34 o 16.4227 5.35671 2.31149      3.13909  1.47655      3.17865  10.9206     303.607     6.21419     303.607     
1 1 1 25 7  35 o 15.3797 5.04776 -4.53468     3.21633  4.10505      3.09932  15.3353     137.768     1.69842     137.768     
1 1 1 25 7  36 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 8  0  o 13.1423 6.2684  -0.508454    3.67478  -0.508454    3.67478  9.97326     90          5.1218      270         
1 1 1 25 8  1  o 24.6632 6.76321 6.77777      3.98764  1.72669      3.70336  31.8002     212.974     12.7131     212.974     
1 1 1 25 8  2  o 21.7865 6.39391 2.37565      3.60561  3.16804      3.46484  25.4716     300.155     6.91781     300.155     
1 1 1 25 8  3  o 57.7475 4.64777 17.8397      3.85172  25.1388      4.20562  68.2628     223.384     1.07167     43.3837     
1 1 1 25 8  4  o 17.5101 5.62929 -0.970907    3.32627  0.661358     3.34242  17.5186     351.48      3.45069     351.48      
1 1 1 25 8  5  o 15.0434 5.08365 -3.03159     3.33228  -2.12845     3.30354  12.2621     8.05841     2.09065     188.058     
1 1 1 25 8  6  o 23.0348 6.30558 7.23598      3.83362  -1.47671     3.47342  19.0689     157.369     14.5134     157.369     
1 1 1 25 8  7  o 25.5312 6.92434 4.17165      3.52488  6.13238      4.10899  30.0047     143.131     4.4791      143.131     
1 1 1 25 8  8  o 17.9733 5.76768 2.02242      3.39237  -3.73543     4.06187  18.8581     242.407     8.56962     242.407     
1 1 1 25 8  9  o 24.2658 7.01565 4.90365      4.05447  4.05813      4.29928  20.446      183.193     13.1615     3.19309     
1 1 1 25 8  10 o 15.8033 5.39767 -3.74482     3.73008  -2.49948     4.16437  14.3944     86.2737     1.39138     266.274     
1 1 1 25 8  11 o 19.6525 6.17469 0.559618     3.68906  2.302        3.82301  23.7855     5.95379     11.9231     5.95379     
1 1 1 25 8  12 o 25.2827 6.52842 8.76888      3.84757  0.281909     3.84783  35.8421     70.766      18.2084     70.766      
1 1 1 25 8  13 o 19.8884 6.09209 -1.44121     3.72541  4.14848      3.61769  19.7333     277.383     13.969      277.383     
1 1 1 25 8  14 o 20.2082 6.19427 -0.628675    3.70815  4.19709      3.73591  24.5846     74.4118     8.54406     74.4118     
1 1 1 25 8  15 o 20.0972 6.19978 1.5478       3.56944  2.70189      3.67413  20.9729     218.295     0.357716    38.2949     
1 1 1 25 8  16 o 23.8842 6.89063 4.03118      4.39564  5.33207      3.75604  20.3627     9.00111     12.2376     189.001     
1 1 1 25 8  17 o 24.605  6.54878 1.29909      4.16934  7.68648      3.5659   31.3664     225.658     10.452      225.658     
1 1 1 25 8  18 o 15.5951 5.19606 -0.865941    3.28129  -1.27461     3.1779   3.76757     199.048     2.03583     199.048     
1 1 1 25 8  19 o 21.0127 6.17285 1.98336      3.39487  4.34287      3.31416  17.6559     292.556     10.4455     112.556     
1 1 1 25 8  20 o 17.0597 5.65465 0.0323533    4.24194  -0.226962    3.20976  18.6916     344.445     6.59338     344.445     
1 1 1 25 8  21 f 16.3781 5.43389 1.48899      3.56043  -2.91468     3.51685  10.6825     255.079     0           0           
1 1 1 25 8  22 o 15.2744 5.07879 1.38095      3.0914   -4.97837     3.44775  15.9446     17.246      1.69232     17.246      
1 1 1 25 8  23 o 14.6029 4.94225 -0.975213    3.20041  -2.027       3.11503  12.5508     340.114     6.94697     340.114     
1 1 1 25 8  24 o 19.223  5.89833 3.65467      3.32599  1.60368      3.19631  20.1334     308.257     0.272383    128.257     
1 1 1 25 8  25 o 17.8042 5.62738 -0.015298    3.17798  3.24544      3.2675   20.9579     291.131     8.80217     291.131     
1 1 1 25 8  26 o 22.1336 5.99707 0.42689      3.43108  7.44419      3.23925  28.8612     316.629     11.8399     316.629     
1 1 1 25 8  27 o 17.0364 5.50462 1.61736      3.21699  1.05769      3.23456  17.7235     171.015     1.74103     171.015     
1 1 1 25 8  28 o 22.3983 6.31886 5.48622      3.27389  4.85805      3.30489  28.4892     242.683     10.6089     242.683     
1 1 1 25 8  29 o 16.0695 5.29049 0.685558     3.24115  0.687607     3.12847  15.6429     192.641     5.84711     192.641     
1 1 1 25 8  30 o 16.2728 5.32248 2.05035      3.27742  -0.218752    3.019    12.6686     43.5528     5.09696     43.5528     
1 1 1 25 8  31 o 24.6669 6.38948 4.43514      3.29815  8.41908      3.35421  30.8073     116.725     13.0947     116.725     
1 1 1 25 8  32 o 15.5239 5.07146 -3.82768     3.06353  3.25918      3.05543  9.01003     65.5507     3.53707     65.5507     
1 1 1 25 8  33 o 15.5902 5.20358 0.404603     3.47404  1.28093      3.10362  14.1519     191.47      2.94875     191.47      
1 1 1 25 8  34 o 15.4274 5.11511 0.229271     3.08491  1.94408      3.07575  13.8686     165.531     6.92005     165.531     
1 1 1 25 8  35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 9  0  o 14.12   6.52444 0.70937      3.4879   0.70937      3.4879   12.5972     270         3.17186     270         
1 1 1 25 9  1  o 20.2411 6.15918 1.51719      3.52771  2.35314      3.43257  23.996      246.212     9.48481     246.212     
1 1 1 25 9  2  o 24.3901 6.54975 6.35317      3.56872  2.21356      3.55136  28.9979     320.618     5.44512     320.618     
1 1 1 25 9  3  o 22.75   6.49275 5.66275      3.53002  -0.437706    4.40419  25.3642     79.6799     18.1168     79.6799     
1 1 1 25 9  4  o 23.4843 6.9059  3.45339      3.64212  4.5387       4.6024   18.6586     189.122     14.7484     9.12208     
1 1 1 25 9  5  o 24.9285 7.37765 5.70057      4.26637  3.77977      5.59     22.999      199.684     9.06597     19.6837     
1 1 1 25 9  6  o 19.5268 6.13641 3.43867      3.789    -2.54435     4.10956  17.5427     36.2605     6.37642     216.261     
1 1 1 25 9  7  o 23.5234 6.48426 0.257704     3.80309  6.85166      3.7157   22.3196     303.788     7.42748     123.788     
1 1 1 25 9  8  f 21.0253 6.33583 0.205946     3.78113  4.34464      3.71966  19.748      22.0016     0           0           
1 1 1 25 9  9  o 31.4025 6.78221 2.03364      4.1759   14.3576      4.49757  37.467      19.4388     3.4183      19.4388     
1 1 1 25 9  10 o 28.7853 7.16172 6.58146      3.97217  7.96732      3.94698  40.3052     175.902     17.5981     175.902     
1 1 1 25 9  11 o 16.7001 5.53911 0.628931     3.67985  -3.14449     3.61855  11.4521     141.19      12.6504     321.19      
1 1 1 25 9  12 o 21.4469 6.48341 -1.56304     4.6823   5.24035      3.81986  27.7684     160.819     14.1409     160.819     
1 1 1 25 9  13 o 24.8306 6.87749 5.89807      3.87811  4.51329      3.79874  26.9638     20.8637     0.549374    200.864     
1 1 1 25 9  14 o 28.6358 6.09471 10.8956      3.50587  1.89784      3.44226  39.8212     3.12126     16.4291     3.12126     
1 1 1 25 9  15 o 14.128  4.83159 -5.65045     3.33172  -1.08429     3.20605  9.68383     247.419     3.24703     247.419     
1 1 1 25 9  16 o 41.8283 6.257   14.3927      4.03909  12.8166      3.77173  53.4652     358.322     10.1246     358.322     
1 1 1 25 9  17 o 24.9286 6.53408 2.21536      3.71496  8.08997      3.62023  26.8699     127.338     0.8876      307.338     
1 1 1 25 9  18 o 19.2108 5.87276 4.06187      3.36057  -0.5109      3.32348  23.1121     178.108     11.793      178.108     
1 1 1 25 9  19 o 19.4321 5.98194 2.5742       3.39191  2.15816      3.30994  23.8257     232         13.9811     232         
1 1 1 25 9  20 f 19.5377 6.0478  4.3          3.63742  0.333717     3.47727  15.8933     179.978     0           0           
1 1 1 25 9  21 o 18.4925 5.90657 2.72575      3.64176  0.611915     3.56568  14.6182     205.172     10.849      25.1724     
1 1 1 25 9  22 o 17.8228 5.73562 0.139297     3.27489  2.57176      3.63987  20.0603     137.442     4.30596     137.442     
1 1 1 25 9  23 o 12.8432 4.47052 -3.14868     3.08965  -4.19508     3.15209  10.7117     225.358     3.0342      225.358     
1 1 1 25 9  24 o 16.7598 5.43275 1.14605      3.21798  0.74174      3.12785  9.21671     90.5641     17.5202     270.564     
1 1 1 25 9  25 o 19.4738 5.87402 5.01269      3.29723  0.589468     3.216    23.8134     184.657     9.42992     184.657     
1 1 1 25 9  26 o 14.0973 4.80391 -0.375525    3.14622  -2.87639     3.07536  10.8633     300.614     5.00987     300.614     
1 1 1 25 9  27 o 13.6961 4.70061 -0.903228    3.14111  -3.12127     3.07672  12.1539     172.111     3.33241     172.111     
1 1 1 25 9  28 o 19.3678 5.93195 3.65963      3.26308  3.03245      3.26588  21.7697     90.5366     5.72688     90.5366     
1 1 1 25 9  29 o 16.6242 5.39252 2.09354      3.19053  0.376071     3.10151  12.1886     99.8299     5.66445     99.8299     
1 1 1 25 9  30 o 15.1777 5.14091 -0.458353    3.74027  -0.52431     3.11652  6.08236     211.636     1.64117     211.636     
1 1 1 25 9  31 o 17.1425 5.48319 3.51093      3.21036  -0.0693596   3.13637  7.94832     185.563     4.27501     185.563     
1 1 1 25 9  32 o 14.7482 4.95408 -1.65089     3.14344  1.4643       3.05802  8.69399     189.872     3.54838     189.872     
1 1 1 25 9  33 o 12.2521 4.29006 -3.25745     3.07094  -2.52428     2.98067  8.9426      316.841     1.1532      136.841     
1 1 1 25 9  34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 9  35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 10 0  o 12.9659 6.32308 -1.41298     4.21244  -1.41298     4.21244  12.0877     270         0.0995541   270         
1 1 1 25 10 1  o 18.5645 6.19677 -0.0533501   4.11696  -2.09682     5.28071  18.9998     346.969     10.8307     346.969     
1 1 1 25 10 2  o 22.4534 6.79861 2.84079      3.96289  4.02057      4.40857  25.4607     317.095     3.35609     317.095     
1 1 1 25 10 3  o 18.3816 5.9239  2.0277       3.79769  -1.71781     3.74779  19.7473     271.957     11.2388     271.957     
1 1 1 25 10 4  o 16.5594 5.54116 -2.98421     3.78864  -0.352612    3.76031  15.7043     23.7981     1.55114     203.798     
1 1 1 25 10 5  o 24.7096 6.99388 5.58324      4.20041  4.52805      3.86966  19.4844     340.962     16.4527     160.962     
1 1 1 25 10 6  o 18.6418 6.00313 1.22758      3.83866  -0.0183433   3.7573   22.1545     232.248     10.3111     232.248     
1 1 1 25 10 7  o 24.1423 6.84763 4.85946      3.96689  4.56947      3.78711  31.4947     72.1721     12.0539     72.1721     
1 1 1 25 10 8  o 20.3528 6.49485 2.37915      4.45426  1.09201      4.17964  22.2104     256.809     14.7132     256.809     
1 1 1 25 10 9  o 21.041  6.52247 4.73546      4.21022  -0.514598    4.2105   22.6889     340.441     1.06913     340.441     
1 1 1 25 10 10 o 21.7408 6.51659 3.44001      3.78398  3.03041      3.78178  21.1101     147.565     4.6995      327.565     
1 1 1 25 10 11 o 17.6185 5.71076 -0.786973    3.42444  1.17072      3.60699  19.0912     289.84      5.43757     289.84      
1 1 1 25 10 12 o 19.7215 6.08118 1.9029       3.46497  2.20217      3.48644  7.80295     112.791     27.9674     292.791     
1 1 1 25 10 13 o 17.1538 5.56675 -0.206705    3.39073  0.50308      3.30913  11.4744     79.8669     6.79096     79.8669     
1 1 1 25 10 14 o 27.752  5.97355 11.3052      3.58417  0.354339     3.49784  29.0514     124.933     4.17418     304.933     
1 1 1 25 10 15 o 22.361  6.11154 -0.29574     3.38259  7.02011      3.44344  24.96       2.61697     18.3071     2.61697     
1 1 1 25 10 16 o 19.7709 6.05497 0.0528984    3.59089  4.14866      3.49246  23.1461     20.7456     7.16528     20.7456     
1 1 1 25 10 17 o 18.9639 5.90486 -1.56889     3.57344  4.24251      3.55806  21.9714     277.585     6.29335     277.585     
1 1 1 25 10 18 o 20.5144 6.06186 0.613108     3.43422  5.13847      3.35322  18.9772     95.0469     6.57761     275.047     
1 1 1 25 10 19 o 16.0268 5.30245 -1.3909      3.28983  0.679221     3.28063  16.6726     225.184     1.15321     225.185     
1 1 1 25 10 20 o 17.112  5.50495 3.99108      3.56585  -4.08014     3.20632  14.2712     58.0051     9.81505     58.0051     
1 1 1 25 10 21 o 24.7749 6.74186 2.85637      3.84365  9.31653      3.99878  36.0305     1.88805     25.256      1.88805     
1 1 1 25 10 22 o 16.8507 5.55597 -0.394744    3.56302  1.34918      3.53649  15.9751     71.5448     9.65154     71.5448     
1 1 1 25 10 23 f 14.532  4.97005 -0.752037    3.16825  -3.5355      3.76206  4.82154     102.403     0           0           
1 1 1 25 10 24 o 18.9661 5.7951  4.75731      3.29844  0.180675     3.19025  22.5302     2.32517     13.527      2.32517     
1 1 1 25 10 25 o 17.9806 5.75526 4.01327      3.65384  -0.0409257   3.2642   20.2017     302.218     5.72121     302.218     
1 1 1 25 10 26 o 19.1213 5.74397 5.90194      3.3064   -1.17659     3.26473  23.5775     297.711     12.8763     297.711     
1 1 1 25 10 27 o 15.4852 5.1651  1.04167      3.25258  -1.03132     3.19032  13.7431     247.844     0.697853    67.8441     
1 1 1 25 10 28 o 21.0899 6.08335 6.56294      3.3406   1.90997      3.2661   24.6062     261.107     10.1407     261.107     
1 1 1 25 10 29 o 17.2272 5.54292 2.02155      3.24747  1.60181      3.20223  8.70668     161.273     3.9924      161.273     
1 1 1 25 10 30 o 14.5478 4.92042 -0.00246673  3.13415  -1.22978     3.11221  7.05587     55.7053     1.95372     55.7053     
1 1 1 25 10 31 o 20.2477 6.08593 4.02046      3.29095  5.42823      3.36219  23.1638     335.464     8.0489      335.464     
1 1 1 25 10 32 o 14.1677 4.81532 -0.0704344   3.07412  -0.444062    3.06628  6.77236     217.194     3.4201      217.194     
1 1 1 25 10 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 10 34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 11 0  o 13.2185 6.33764 -0.41052     3.85361  -0.41052     3.85361  7.42149     270         15.7526     90          
1 1 1 25 11 1  o 19.5314 6.15811 3.1868       3.84868  -0.767368    3.86212  23.6164     114.608     11.986      114.608     
1 1 1 25 11 2  o 18.7348 5.97416 -2.91355     3.92027  3.20881      3.79656  18.0509     315.328     11.6597     315.328     
1 1 1 25 11 3  f 19.7944 6.4239  1.73282      5.05942  0.677079     3.80138  2.7959      88.3466     0           0           
1 1 1 25 11 4  o 20.4756 6.82727 2.28049      7.18205  0.343565     3.84893  23.103      16.2463     5.25818     16.2463     
1 1 1 25 11 5  o 29.8214 7.37291 11.9193      4.84321  4.80103      3.74614  28.6017     43.4209     10.1181     223.421     
1 1 1 25 11 6  o 16.4161 5.48196 -1.25061     3.70229  -1.27811     3.56293  16.6237     8.73807     6.24415     8.73807     
1 1 1 25 11 7  o 17.7356 5.76529 -4.46545     3.52825  3.18813      3.97819  17.3498     254.17      0.780519    74.1703     
1 1 1 25 11 8  o 18.8594 5.96352 -1.37852     3.876    2.92075      3.54447  19.5401     299.303     11.5387     299.303     
1 1 1 25 11 9  o 19.5884 6.07049 2.03         3.55743  1.88742      3.44443  20.3941     359.42      0.826329    359.42      
1 1 1 25 11 10 o 23.637  6.53841 1.80091      3.55898  7.0175       3.75539  11.4301     13.9189     30.0866     193.919     
1 1 1 25 11 11 o 16.7857 5.51561 0.590783     3.4092   -1.36313     3.51551  10.3786     43.7925     14.1252     223.793     
1 1 1 25 11 12 o 18.229  5.79494 2.85113      3.53496  -1.13216     3.44451  6.11612     156.643     4.07943     156.643     
1 1 1 25 11 13 o 21.3162 6.46021 -0.158286    3.5761   6.47285      4.28185  26.6618     144.693     14.1158     144.693     
1 1 1 25 11 14 o 20.8926 6.30312 3.60142      3.53611  2.79123      3.64024  26.3376     42.382      12.8963     42.382      
1 1 1 25 11 15 o 15.2291 5.1364  -2.16632     3.38208  -0.890562    3.33177  9.00959     261.738     5.22529     261.738     
1 1 1 25 11 16 o 26.6765 6.88943 8.0594       3.78243  5.79343      3.65523  40.4357     67.0757     28.6068     67.0757     
1 1 1 25 11 17 o 14.8341 5.05325 -1.54931     3.52356  -2.31423     3.31461  15.6811     103.94      3.98591     103.94      
1 1 1 25 11 18 o 15.5912 5.20771 -0.768359    3.27276  -0.539668    3.29193  5.4884      261.883     3.70969     261.883     
1 1 1 25 11 19 o 25.3786 6.29125 9.52817      3.53723  2.08847      3.40506  30.6175     166.95      5.64745     166.95      
1 1 1 25 11 20 o 17.4771 5.65292 -3.63565     4.35627  3.18407      3.30219  20.2076     159.117     8.72276     159.117     
1 1 1 25 11 21 o 17.0303 5.65565 2.67418      3.87096  -2.46929     3.85457  18.7683     268.057     7.34936     268.057     
1 1 1 25 11 22 o 19.3288 6.02626 3.16644      3.3574   2.66089      3.66939  17.5464     191.067     5.62599     11.0669     
1 1 1 25 11 23 o 18.8092 5.76012 -0.825488    3.32714  5.1213       3.32166  22.2113     351.845     7.97802     351.845     
1 1 1 25 11 24 o 17.2212 5.63242 2.59855      3.79283  0.371079     3.20144  18.5743     156.195     9.62189     156.195     
1 1 1 25 11 25 f 19.2713 5.72358 -1.05062     3.30369  5.88074      3.19837  16.3389     1.47982     0           0           
1 1 1 25 11 26 o 19.7137 6.03045 3.17656      3.38138  4.1127       3.36016  22.0819     76.1959     11.4199     76.1959     
1 1 1 25 11 27 o 20.2376 5.76017 7.08899      3.25491  -1.17725     3.20971  22.6161     311.539     10.207      311.539     
1 1 1 25 11 28 o 13.9496 4.76013 -0.0545374   3.12188  -2.90484     3.03952  0.649141    232.6       0.107826    232.6       
1 1 1 25 11 29 o 14.1751 4.84092 -0.190834    3.10547  -2.40532     3.34655  9.8958      44.9476     2.2607      224.948     
1 1 1 25 11 30 o 15.9572 5.24828 -0.362941    3.17414  2.76777      3.17266  10.9229     343.57      5.47662     343.57      
1 1 1 25 11 31 o 14.5111 4.90841 1.63241      3.20234  -1.66642     3.02372  9.36224     279.926     4.742       279.926     
1 1 1 25 11 32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 11 33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 12 0  f 20.5848 8.25643 4.90467      4.04799  4.90467      4.04799  5.32362     89.9999     0           0           
1 1 1 25 12 1  o 17.1333 5.64177 -0.578747    3.49793  -0.122601    3.74346  13.1191     82.8993     7.46824     82.8993     
1 1 1 25 12 2  f 14.4073 4.94207 -5.43011     3.44359  -1.46828     3.45066  6.09888     276.946     0           0           
1 1 1 25 12 3  o 15.6058 5.24751 -1.97851     3.46752  -1.35615     3.42059  13.3836     205.365     2.75224     25.3649     
1 1 1 25 12 4  o 24.7225 6.74675 5.57362      3.66259  4.93289      3.61984  33.7006     158.988     22.4515     158.988     
1 1 1 25 12 5  o 17.2914 5.61836 -1.53419     3.49071  1.46628      3.45951  14.1135     53.1782     7.81624     53.1782     
1 1 1 25 12 6  o 17.0604 5.62488 0.325111     3.61796  -1.06551     3.64466  13.1422     27.795      8.31507     207.795     
1 1 1 25 12 7  o 25.2823 6.83448 8.08764      4.04429  3.26133      3.62738  22.7422     359.134     10.0192     179.134     
1 1 1 25 12 8  o 20.0472 6.35613 3.24183      4.54322  1.34985      3.5249   23.058      150.806     8.96211     150.806     
1 1 1 25 12 9  o 17.3031 5.7364  -0.0809716   4.17883  -0.338134    3.50922  12.337      72.8291     7.21454     72.8291     
1 1 1 25 12 10 o 19.5438 5.94299 -2.84559     3.8066   5.00807      3.50748  21.3286     124.655     3.21855     124.655     
1 1 1 25 12 11 o 33.8589 6.98185 10.527       3.99784  10.0051      3.73161  38.7944     103.186     1.08411     103.186     
1 1 1 25 12 12 o 19.3356 5.99658 0.56224      3.53894  3.52543      3.46133  4.38579     52.4552     3.28767     52.4552     
1 1 1 25 12 13 o 20.2051 6.20772 3.80692      3.49549  1.77819      3.82727  25.7768     275.899     13.9579     275.899     
1 1 1 25 12 14 o 22.0491 6.02409 -2.71371     3.48282  8.39223      3.679    31.0774     169.032     18.9542     169.032     
1 1 1 25 12 15 o 16.4462 5.45336 0.488986     3.34739  -0.940218    3.67511  18.298      160.774     9.91172     160.774     
1 1 1 25 12 16 o 17.045  5.61856 -0.110628    3.59264  0.9073       3.63308  19.4681     41.8902     10.1152     41.8902     
1 1 1 25 12 17 o 21.7485 6.55289 4.98588      3.69887  3.79184      4.11399  19.806      227.144     7.41276     47.1436     
1 1 1 25 12 18 o 15.9162 5.29346 -1.57735     3.37578  0.906992     3.33785  16.9785     131.896     6.21663     131.896     
1 1 1 25 12 19 o 16.0629 5.36761 1.36518      3.6716   -1.7797      3.3001   16.8096     198.251     4.82616     198.251     
1 1 1 25 12 20 o 20.8262 6.21222 -0.121377    3.83768  6.79655      3.69798  24.7767     358.114     16.9215     358.114     
1 1 1 25 12 21 o 15.2267 5.17836 -2.01225     3.55177  -0.316122    3.58334  12.4991     235.371     6.45068     235.371     
1 1 1 25 12 22 o 16.2706 5.3895  -0.512471    3.25346  1.57993      3.51812  16.997      55.2939     4.2886      55.2939     
1 1 1 25 12 23 o 20.8815 6.15391 3.17587      3.35862  5.30152      3.31297  22.809      318.658     2.23909     318.658     
1 1 1 25 12 24 o 13.5421 4.66255 -1.25844     3.11964  -3.12087     3.1396   8.41665     190.11      8.49234     10.1101     
1 1 1 25 12 25 o 20.7718 6.05219 1.46824      3.36034  6.48085      3.34464  24.0824     10.8803     11.187      10.8803     
1 1 1 25 12 26 o 14.5433 4.92662 -0.239827    3.19984  -1.49793     3.10787  8.47367     334.543     0.447132    334.543     
1 1 1 25 12 27 o 16.1637 5.31035 1.21989      3.19705  0.705612     3.16944  10.6978     251.151     3.67704     251.151     
1 1 1 25 12 28 o 16.6176 5.39046 0.340004     3.28418  2.73891      3.09808  15.2063     188.678     3.6473      188.678     
1 1 1 25 12 29 o 18.0609 5.68462 1.90976      3.31378  4.46387      3.19715  18.936      243.474     9.4057      243.474     
1 1 1 25 12 30 o 14.1595 4.80824 1.21585      3.09777  -1.97847     3.03193  5.64214     190.87      3.12303     190.87      
1 1 1 25 12 31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 13 0  o 22.3101 8.25663 5.69517      3.72662  5.69517      3.72662  34.4324     270         19.0349     270         
1 1 1 25 13 1  o 18.6171 5.97005 1.13194      3.84724  1.37371      3.5652   13.9298     300.609     8.98749     300.609     
1 1 1 25 13 2  o 23.6075 6.64018 3.55162      3.73786  6.01428      3.63914  22.7981     324.413     5.35507     144.413     
1 1 1 25 13 3  o 17.594  5.7257  2.16054      3.70786  -1.73587     3.55198  18.7227     292.645     6.44583     292.645     
1 1 1 25 13 4  o 20.1269 6.27689 3.51733      3.86304  1.36739      3.78637  17.7674     192.406     6.82373     12.406      
1 1 1 25 13 5  o 25.7394 6.34067 10.1115      3.73376  -0.746853    4.23621  36.3687     86.5185     19.5711     86.5185     
1 1 1 25 13 6  o 19.1001 6.08019 1.47148      3.57501  2.03989      3.93453  16.6114     137.661     6.72478     317.661     
1 1 1 25 13 7  o 16.1965 5.40889 -1.44511     3.54945  -0.235124    3.53885  16.5153     4.64202     6.49584     4.64202     
1 1 1 25 13 8  o 26.1814 6.79793 4.82597      3.69118  8.00228      3.69614  28.2547     285.527     0.885731    105.527     
1 1 1 25 13 9  o 16.6391 5.50893 0.776599     3.44835  -1.48104     3.70471  18.1746     116.342     6.14806     116.342     
1 1 1 25 13 10 o 20.3622 6.20247 4.041        3.61755  2.1225       3.47475  5.4896      272.816     4.32344     272.816     
1 1 1 25 13 11 o 19.4008 6.07218 0.6511       3.92028  3.60717      3.48755  17.9389     69.4804     13.2268     69.4804     
1 1 1 25 13 12 o 17.5093 5.72438 0.700683     3.87752  0.854357     3.39479  20.7103     259.827     8.84706     259.827     
1 1 1 25 13 13 o 28.4488 6.92933 5.18519      4.23243  10.9736      3.89334  40.6798     18.5151     20.3663     18.5151     
1 1 1 25 13 14 o 26.718  7.16998 5.93804      4.83115  9.43312      3.9582   35.8        198.596     14.9052     198.596     
1 1 1 25 13 15 o 20.6573 6.31365 5.82434      3.98601  1.38107      3.48676  22.387      135.292     1.71401     135.292     
1 1 1 25 13 16 o 21.8637 6.47122 5.9056       3.73887  3.2156       3.68332  26.1903     197.824     7.37725     197.824     
1 1 1 25 13 17 o 26.7854 6.94232 8.5647       3.81056  6.78555      3.72339  39.531      115.883     27.6771     115.883     
1 1 1 25 13 18 o 16.3282 5.39168 0.298796     3.42629  0.482248     3.27148  12.0626     80.3677     9.40851     260.368     
1 1 1 25 13 19 o 16.0021 5.36851 -0.447984    3.7968   0.126786     3.35037  14.9193     169.504     7.71679     169.504     
1 1 1 25 13 20 f 15.1621 5.20503 0.711978     3.89189  -4.32058     3.7622   7.69156     68.6907     0           0           
1 1 1 25 13 21 f 18.6664 5.9285  -3.49678     3.46944  7.05168      4.13548  11.5902     312.444     0           0           
1 1 1 25 13 22 o 17.3925 5.63957 2.5807       3.43043  0.731431     3.46253  16.2876     133.302     1.26033     313.302     
1 1 1 25 13 23 o 17.3347 5.57934 1.69568      3.34782  1.9283       3.19895  16.5846     132.825     2.31063     132.825     
1 1 1 25 13 24 o 14.7351 4.99079 -0.645786    3.2524   -0.942769    3.21491  10.0587     74.2311     3.73124     254.231     
1 1 1 25 13 25 o 16.6435 5.42712 1.04224      3.25384  1.59391      3.2171   9.73117     296.129     3.80677     296.129     
1 1 1 25 13 26 o 13.9883 4.78604 -2.17278     3.17925  -0.572185    3.1492   9.31306     134.472     1.75297     314.473     
1 1 1 25 13 27 o 15.3935 5.13833 1.41001      3.25226  -0.0180195   3.12005  13.267      214.867     2.0366      214.867     
1 1 1 25 13 28 o 15.412  5.14639 0.326688     3.2861   1.55972      3.14809  14.5933     355.554     3.68099     355.554     
1 1 1 25 13 29 o 14.7151 4.96916 0.354427     3.23423  0.200022     3.07369  13.9424     132.557     6.38829     132.557     
1 1 1 25 13 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 14 0  o 13.6233 6.43012 0.633285     3.68635  0.633285     3.68635  11.1814     90          8.51393     270         
1 1 1 25 14 1  o 18.5244 5.8783  -1.19214     3.63384  3.66789      3.61751  17.8536     30.3067     2.70039     210.307     
1 1 1 25 14 2  o 24.277  6.55451 8.05072      3.66645  2.3371       3.79356  30.1562     248.122     8.69628     248.122     
1 1 1 25 14 3  o 20.7852 6.31382 3.97457      3.66475  2.79845      3.62499  24.9512     257.699     7.54134     257.699     
1 1 1 25 14 4  o 29.1055 7.09435 8.63662      3.93446  8.09486      3.7758   38.2466     143.992     13.0983     143.992     
1 1 1 25 14 5  o 25.8251 6.86809 5.9955       3.75474  7.08277      3.69699  30.6841     257.504     5.40796     257.504     
1 1 1 25 14 6  o 23.5069 6.66088 4.72641      3.70345  5.74393      3.65354  24.9138     120.115     1.04028     300.115     
1 1 1 25 14 7  o 20.3585 6.25714 1.50317      3.64804  4.65745      3.77752  26.4682     291.248     16.0688     291.248     
1 1 1 25 14 8  o 26.3727 6.8689  8.66904      3.82346  5.20639      3.71501  25.4497     57.2751     7.34492     237.275     
1 1 1 25 14 9  o 17.4387 5.68013 0.549392     3.55043  1.23423      3.51133  18.0913     154.93      11.3786     154.93      
1 1 1 25 14 10 o 20.5949 6.30412 4.42024      3.67657  2.51867      3.75401  25.1492     338.925     17.0148     338.925     
1 1 1 25 14 11 f 17.1943 5.69835 -0.920485    3.521    1.91072      4.03168  15.8783     286.431     0           0           
1 1 1 25 14 12 o 15.1046 5.16244 -3.55794     3.48745  -0.153649    3.77489  4.01731     8.98712     2.4919      8.98712     
1 1 1 25 14 13 o 15.7072 5.27909 -1.86681     3.60851  0.360642     3.40939  16.1276     211.347     5.51272     211.347     
1 1 1 25 14 14 o 23.266  6.62671 5.86806      3.70046  5.33521      3.59436  29.9775     280.568     12.819      280.568     
1 1 1 25 14 15 o 16.4186 5.55001 -0.743       4.53298  -0.013969    3.44189  17.0394     272.212     6.70809     272.212     
1 1 1 25 14 16 o 16.9788 5.66582 0.783103     4.16279  0.398914     3.56551  10.5621     324.321     14.2763     144.321     
1 1 1 25 14 17 o 16.3621 5.45616 0.337597     3.70585  0.352162     3.4471   14.8464     316.396     2.44563     136.396     
1 1 1 25 14 18 f 18.3508 5.8859  2.04294      3.66178  2.78847      3.55556  13.7315     348.474     0           0           
1 1 1 25 14 19 o 20.376  5.9255  -2.43453     3.9767   7.18733      3.40418  21.0716     2.32311     15.1966     2.32311     
1 1 1 25 14 20 f 15.0016 5.1519  0.520388     3.82546  -3.82074     3.67218  15.5706     286.175     0           0           
1 1 1 25 14 21 o 12.4736 4.39977 -4.32666     3.34339  -5.32335     3.50615  6.83242     239.676     5.25556     59.6761     
1 1 1 25 14 22 o 17.1228 5.59132 2.04027      3.58537  0.998948     3.30155  14.816      100.664     3.0941      100.664     
1 1 1 25 14 23 o 16.6287 5.45858 -0.651435    3.41196  2.62924      3.40247  12.9589     117.128     2.25071     117.128     
1 1 1 25 14 24 o 16.6159 5.45076 0.294639     3.39376  2.22932      3.32673  14.1146     67.0102     0.229063    67.01       
1 1 1 25 14 25 o 18.2457 5.87834 1.48367      3.75024  4.65785      3.67238  16.7864     284.285     1.12874     104.285     
1 1 1 25 14 26 o 13.3382 4.60947 -0.0623235   3.14241  -3.38265     3.15389  9.9312      74.5776     1.86984     254.578     
1 1 1 25 14 27 o 18.2027 5.64942 6.33856      3.33203  -0.723069    3.37862  21.0924     235.389     10.5762     235.389     
1 1 1 25 14 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 15 0  o 16.4733 7.25967 2.99184      3.73769  2.99184      3.73769  12.3199     270         13.5005     90          
1 1 1 25 15 1  o 19.1521 5.96191 -1.1045      3.65069  4.85865      3.62486  23.0598     226.078     9.0048      226.078     
1 1 1 25 15 2  o 25.1857 6.50649 2.2168       3.77132  9.46844      3.70606  31.7708     339.733     9.90039     339.733     
1 1 1 25 15 3  o 13.9267 4.82008 -5.8256      3.61858  -1.36789     3.41441  12.9129     103         1.17991     103         
1 1 1 25 15 4  o 21.2119 6.40548 3.64986      3.68567  4.39073      3.72323  26.5021     169.581     17.8932     169.581     
1 1 1 25 15 5  o 20.4914 6.21373 0.78274      3.72083  5.56017      3.66219  22.4572     189.905     2.63363     189.905     
1 1 1 25 15 6  o 20.5008 6.32218 4.08402      3.83839  3.03948      3.67884  21.205      165.272     0.159306    345.273     
1 1 1 25 15 7  o 16.8633 5.54987 -2.40672     3.67329  2.46251      3.56442  17.902      277.267     3.97295     277.267     
1 1 1 25 15 8  o 16.0415 5.38051 -0.669621    3.59518  -0.137452    3.55608  16.7154     115.787     5.75253     115.787     
1 1 1 25 15 9  f 15.4435 5.22868 -2.06202     3.56939  -0.0982447   3.54099  7.63776     265.433     0           0           
1 1 1 25 15 10 o 20.0092 6.11003 -1.92268     4.10124  6.38154      3.72524  17.5887     330.904     6.81655     150.904     
1 1 1 25 15 11 o 17.0531 5.6004  1.1715       3.55711  0.621311     3.5126   16.0008     80.6625     9.31918     80.6625     
1 1 1 25 15 12 o 20.1774 6.12307 0.652059     3.70018  5.70143      3.5622   19.3724     214.69      3.1997      34.6896     
1 1 1 25 15 13 o 17.7598 5.7307  -0.672539    3.58994  3.48656      3.56552  15.2684     295.118     5.66883     115.118     
1 1 1 25 15 14 o 17.548  5.67557 3.85537      3.5897   -1.48793     3.56228  16.1603     247.994     2.87243     67.994      
1 1 1 25 15 15 o 17.1471 5.71604 1.41084      4.12977  0.669063     3.69321  15.1884     0.397561    3.79596     180.398     
1 1 1 25 15 16 o 15.4141 5.23006 -3.03299     3.61978  1.09811      3.63324  12.6663     243.727     6.53131     243.727     
1 1 1 25 15 17 o 22.33   6.80926 6.64375      4.30919  5.42872      4.21999  22.5448     119.644     0.949339    299.644     
1 1 1 25 15 18 o 15.5798 5.23051 2.3985       3.44995  -4.77511     3.7444   13.4703     296.283     1.59927     296.283     
1 1 1 25 15 19 o 17.1401 5.67075 -1.68185     4.66626  2.65004      3.38512  13.7322     92.0375     5.59345     92.0375     
1 1 1 25 15 20 o 21.5863 6.69333 5.96822      4.7206   5.23045      3.86516  22.1831     161.804     11.6572     161.804     
1 1 1 25 15 21 o 27.4229 6.90749 10.7829      3.73753  6.77975      4.19368  33.8951     302.47      12.3648     302.47      
1 1 1 25 15 22 o 14.2675 4.89153 -0.252696    3.43381  -2.43245     3.22251  5.79291     243.044     1.37324     243.044     
1 1 1 25 15 23 o 14.9589 5.04619 -0.72241     3.2458   0.803759     3.24188  7.82355     152.975     3.10999     152.975     
1 1 1 25 15 24 o 13.7709 4.73518 0.366846     3.25683  -2.61974     3.11732  8.73037     5.42417     2.76238     5.42417     
1 1 1 25 15 25 o 16.7318 5.42736 0.230486     3.31698  3.91069      3.22308  17.7545     51.7311     7.10977     51.7311     
1 1 1 25 15 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 15 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 16 0  o 15.9588 7.2636  2.74239      4.10515  2.74239      4.10515  6.98101     270         4.52008     270         
1 1 1 25 16 1  o 15.4627 5.25308 -0.820154    3.60383  -1.42881     3.68973  13.7462     354.966     1.8016      174.966     
1 1 1 25 16 2  o 16.3094 5.49222 -1.11536     3.70195  0.52558      3.88835  10.877      193.679     11.5084     13.6786     
1 1 1 25 16 3  o 18.3173 5.72542 -4.87574     3.65951  5.77076      3.64771  19.21       221.565     11.8558     221.565     
1 1 1 25 16 4  f 15.8391 5.34797 -0.573269    3.69922  -0.657566    3.60277  5.99516     292.251     0           0           
1 1 1 25 16 5  o 19.0912 6.08609 4.07481      3.9363   1.15399      3.66745  17.2728     336.345     11.7121     336.345     
1 1 1 25 16 6  f 17.9744 5.83046 1.9027       3.68086  1.55137      3.64644  13.426      287.769     0           0           
1 1 1 25 16 7  o 19.0277 6.04565 3.46849      3.78663  1.92664      3.61437  18.0237     314.141     2.63078     134.141     
1 1 1 25 16 8  o 17.2758 5.67362 0.663513     3.63883  1.6184       3.6265   15.1146     105.98      4.34143     285.98      
1 1 1 25 16 9  o 19.5724 5.81108 7.43169      3.63441  -4.89674     3.63893  4.92625     169.562     3.76844     169.562     
1 1 1 25 16 10 o 22.2719 6.53807 4.08559      3.78451  6.52164      3.71592  18.4128     207.58      10.5787     27.5801     
1 1 1 25 16 11 o 20.1459 6.16175 5.92517      3.68735  1.35653      3.60267  24.0629     278.707     14.6334     278.707     
1 1 1 25 16 12 o 16.4477 5.52323 0.501242     3.64929  0.149239     3.93691  16.8191     208.138     4.38719     208.138     
1 1 1 25 16 13 o 18.6644 5.93093 3.54511      3.57704  1.88607      3.57716  13.875      347.248     10.7937     167.248     
1 1 1 25 16 14 o 16.4727 5.46353 2.31964      3.55654  -1.27577     3.55194  14.1136     147.811     2.91849     327.811     
1 1 1 25 16 15 o 16.2318 5.50507 2.14102      4.17899  -2.23624     3.67918  5.21129     174.547     2.75122     174.547     
1 1 1 25 16 16 o 13.2133 4.62481 -6.06687     3.62844  -1.98354     3.43376  6.83345     195.654     0.579215    15.6544     
1 1 1 25 16 17 o 20.2996 6.22176 5.21678      3.74218  3.0809       3.46078  19.9573     319.523     9.88191     319.523     
1 1 1 25 16 18 o 14.7025 5.05279 -0.8513      3.8771   -1.8778      3.30635  8.48552     238.531     0.458226    58.5314     
1 1 1 25 16 19 o 17.2045 5.66389 1.10531      4.00795  2.08757      3.38125  14.3029     270.007     4.07362     270.007     
1 1 1 25 16 20 o 15.6724 5.36879 2.01259      3.93796  -4.07907     4.33687  7.66153     24.3097     3.12348     24.3097     
1 1 1 25 16 21 o 19.7851 6.14278 2.38826      3.52038  6.81019      3.8215   21.526      236.021     10.7319     236.021     
1 1 1 25 16 22 o 15.3073 5.15749 0.169771     3.33901  1.24542      3.38215  13.8056     53.2958     1.96643     53.2958     
1 1 1 25 16 23 o 17.9337 5.76422 5.03845      3.43022  1.05527      3.90612  20.0592     236.576     9.42707     236.576     
1 1 1 25 16 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 16 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 17 0  o 11.4484 5.65529 -1.28283     3.66381  -1.28283     3.66381  9.00776     270         1.55291     90          
1 1 1 25 17 1  o 15.6543 5.32708 -0.0124341   3.6924   -1.59759     3.91368  13.9864     299.628     6.64949     299.628     
1 1 1 25 17 2  o 22.3055 6.47863 8.08744      3.84624  2.08759      3.8332   24.7296     344.26      3.71365     344.26      
1 1 1 25 17 3  o 27.4609 7.14892 7.82559      4.13524  9.93436      3.96375  37.9587     140.354     20.045      140.354     
1 1 1 25 17 4  o 14.588  5.01942 0.113836     3.64     -4.47257     3.61158  13.2549     133.946     3.40699     133.946     
1 1 1 25 17 5  o 15.0357 5.14941 -2.0442      3.6899   -0.722827    3.67144  14.1169     124.404     2.8833      124.404     
1 1 1 25 17 6  o 15.0331 5.14766 -1.12565     3.72633  -1.53006     3.60993  12.513      111.394     3.27908     291.394     
1 1 1 25 17 7  o 18.1971 5.87064 3.75869      3.72357  0.53627      3.67625  19.8249     349.531     10.2504     349.531     
1 1 1 25 17 8  o 14.719  5.07332 -3.49995     4.03527  -0.781308    3.52825  10.4894     90.5238     4.48146     90.5238     
1 1 1 25 17 9  o 22.7915 6.59844 5.07101      3.78128  6.58932      3.66155  26.1462     235.098     6.71034     235.098     
1 1 1 25 17 10 o 13.2271 4.63329 -3.77961     3.59599  -3.76402     3.47985  7.66587     352.79      0.984126    352.79      
1 1 1 25 17 11 o 15.7844 5.32967 0.527228     3.70997  -0.789155    3.53588  11.8158     332.768     4.00735     332.768     
1 1 1 25 17 12 o 24.7203 6.67479 4.64636      3.7919   9.03374      3.69536  31.2704     157.18      16.3196     157.18      
1 1 1 25 17 13 o 21.5695 6.48982 3.34955      4.33239  6.52859      3.66095  22.6006     184.672     4.69688     184.672     
1 1 1 25 17 14 o 18.7915 5.98482 3.4772       3.75326  2.56014      3.53513  17.1301     281.399     2.82734     281.399     
1 1 1 25 17 15 o 18.9026 6.08747 3.72761      4.06822  2.72053      3.72353  7.78455     36.6154     4.39747     36.6154     
1 1 1 25 17 16 o 17.321  5.65619 5.03494      3.81876  -2.94845     3.61531  14.2479     224.297     4.77543     224.297     
1 1 1 25 17 17 o 19.7197 6.101   6.40495      3.73703  1.55831      3.55043  6.18064     97.131      4.14572     97.131      
1 1 1 25 17 18 o 16.6964 5.61608 4.16089      4.31056  -0.628933    3.4252   15.112      119.403     3.55353     119.403     
1 1 1 25 17 19 o 19.4353 6.23596 4.24726      4.19542  5.69904      3.96684  20.5686     21.5205     5.02337     21.5206     
1 1 1 25 17 20 o 19.7719 6.20174 3.19645      3.71762  7.02912      3.91555  22.884      123.214     9.78631     123.214     
1 1 1 25 17 21 o 15.5863 5.23593 0.0668018    3.5471   1.79004      3.33211  4.63071     190.8       3.04641     190.8       
1 1 1 25 17 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 18 0  o 17.0571 7.54482 3.91281      4.07589  3.91281      4.07589  12.4301     89.9999     6.92204     89.9999     
1 1 1 25 18 1  o 16.5095 5.50954 -0.985829    3.68543  2.04769      3.69762  13.8211     115.64      1.69355     295.64      
1 1 1 25 18 2  o 16.7197 5.55376 2.86571      3.71864  -1.71635     3.72086  14.7939     342.427     3.73262     342.427     
1 1 1 25 18 3  o 17.069  5.64777 2.73734      3.78511  -0.482247    3.68321  14.2237     218.646     2.62677     38.6456     
1 1 1 25 18 4  o 22.0073 6.55226 4.52651      3.86758  6.37189      3.77635  23.2778     286.268     14.4984     286.268     
1 1 1 25 18 5  o 17.8165 5.76061 4.60855      3.71732  -1.70475     3.73285  16.2685     343.561     1.63144     343.561     
1 1 1 25 18 6  o 17.5872 5.75727 1.47407      3.70532  2.11553      3.68034  14.2684     68.4509     3.59858     248.451     
1 1 1 25 18 7  o 23.4667 6.36049 0.771422     3.77946  10.0469      3.81225  28.1794     315.474     14.3502     315.474     
1 1 1 25 18 8  o 18.3822 5.96649 1.1996       3.72302  3.83996      3.98398  10.3949     304.854     5.33543     304.854     
1 1 1 25 18 9  f 19.4765 6.15074 4.33893      3.85338  2.88104      3.67889  9.54498     273.345     0           0           
1 1 1 25 18 10 o 15.2176 5.17256 -6.73161     3.97284  2.28296      3.59046  6.93652     88.8012     1.36799     88.8012     
1 1 1 25 18 11 o 14.3639 4.95958 -5.07253     3.87612  0.0650603    3.51884  3.68875     146.374     0.690417    146.374     
1 1 1 25 18 12 o 17.4629 5.78082 2.95728      3.87765  0.604102     3.96029  15.0376     232.93      3.74767     232.93      
1 1 1 25 18 13 f 15.4227 5.24036 0.332117     3.73986  -0.56484     3.50653  11.8943     342.964     0           0           
1 1 1 25 18 14 o 15.8034 5.3536  -0.566061    4.08834  1.33322      3.48837  12.2985     334.805     3.15327     154.805     
1 1 1 25 18 15 o 18.1074 5.92963 1.75053      4.05469  4.86609      3.91471  18.1767     37.2224     6.50173     37.2224     
1 1 1 25 18 16 o 18.2793 5.93269 -0.485684    4.00035  6.85716      4.02026  19.1759     141.997     8.53843     141.997     
1 1 1 25 18 17 o 13.3537 4.6732  -4.49092     3.64272  -0.756728    3.52799  8.30156     54.0135     3.12621     54.0135     
1 1 1 25 18 18 o 17.3072 5.73342 4.71735      4.07155  0.887657     3.56913  16.2385     230.824     1.23095     50.8241     
1 1 1 25 18 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 18 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 19 0  o 18.8359 7.86055 5.06728      3.90163  5.06728      3.90163  4.03589     90.0003     2.50815     90.0003     
1 1 1 25 19 1  o 28.6189 7.20121 12.1334      4.04193  8.20921      4.50577  35.4605     146.765     13.7976     146.765     
1 1 1 25 19 2  o 18.1265 5.8963  0.739163     3.8421   4.01895      3.83416  15.3164     301.733     5.46998     301.733     
1 1 1 25 19 3  o 17.8355 5.85756 0.565945     3.84316  3.69333      3.95066  14.7652     48.8802     5.10042     48.8802     
1 1 1 25 19 4  o 17.5157 5.80819 1.27042      3.7759   2.56605      4.11478  13.7979     232.368     5.00636     232.368     
1 1 1 25 19 5  o 21.9165 6.29435 9.51738      3.88955  -0.0636994   3.8177   24.7231     104.774     11.2865     104.774     
1 1 1 25 19 6  o 17.2841 5.65725 -2.11583     3.82085  4.5112       3.70363  13.5831     166.677     5.45228     166.677     
1 1 1 25 19 7  o 15.1683 5.17113 -4.64964     3.77075  2.22716      3.65893  6.87814     266.011     2.46172     266.011     
1 1 1 25 19 8  o 16.9563 5.62099 1.85991      3.70493  1.88704      3.69049  11.3209     339.412     5.4671      339.412     
1 1 1 25 19 9  f 17.0955 5.61579 -2.03963     4.01141  4.69149      3.62871  3.15556     266.581     0           0           
1 1 1 25 19 10 o 16.7507 5.5789  0.78214      3.96206  2.91189      3.59094  10.3372     23.0935     5.5651      23.0935     
1 1 1 25 19 11 o 14.9075 5.109   -3.41062     3.9147   1.89419      3.57833  11.867      256.311     3.41626     256.311     
1 1 1 25 19 12 o 18.0761 5.84971 -1.33378     3.92971  6.89542      3.92121  12.1439     275.24      7.91554     275.24      
1 1 1 25 19 13 o 15.5798 5.28507 -6.24545     3.93108  4.59862      3.82215  9.72567     173.409     5.54957     173.409     
1 1 1 25 19 14 o 16.622  5.63443 1.49108      4.66211  2.19668      3.74566  17.2867     201.06      5.76079     201.06      
1 1 1 25 19 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 19 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 20 0  o 10.7207 5.38076 -1.82942     3.7588   -1.82942     3.7588   4.01886     270         12.9751     90          
1 1 1 25 20 1  o 16.5831 5.49061 -4.8396      3.85593  5.75312      3.78444  15.3734     45.511      1.61299     45.511      
1 1 1 25 20 2  o 15.7651 5.33642 3.28285      3.76611  -2.059       3.72538  13.2099     82.7136     5.44665     82.7136     
1 1 1 25 20 3  o 16.8351 5.64724 -0.775261    4.05923  4.48685      3.99972  13.2711     267.433     7.22238     267.433     
1 1 1 25 20 4  o 14.3898 4.97606 1.58605      3.69038  -4.37372     3.72282  8.47486     90.0841     3.74385     90.0841     
1 1 1 25 20 5  o 14.6902 5.05869 0.240911     3.66663  -1.11251     3.70164  5.58428     173.761     2.95315     173.761     
1 1 1 25 20 6  f 16.7208 5.55126 -1.17671     3.83643  4.57711      3.71035  8.65685     167.167     0           0           
1 1 1 25 20 7  o 14.1431 4.93913 0.36439      4.07237  -3.53706     3.59128  10.1493     6.82291     4.47378     6.82291     
1 1 1 25 20 8  o 13.8486 4.84045 -2.97145     4.01134  -1.30925     3.61275  10.8951     49.2338     4.48455     49.2338     
1 1 1 25 20 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 20 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 20 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 20 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 21 0  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 21 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 21 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 25 21 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 0  0  o 36.7301 10.0997 11.3835      5.44046  11.3835      5.44046  39.8979     180         12.0386     360         
1 1 1 26 0  1  o 42.7041 6.71949 12.6295      3.86115  12.6295      3.86115  55.2769     90          3.77443     90          
1 1 1 26 0  2  o 23.2021 8.71158 5.80978      4.19625  5.80978      4.19625  26.3517     180         20.2527     180         
1 1 1 26 0  3  o 40.675  8.17367 12.7306      4.43452  12.7306      4.43452  38.0149     90          25.6517     270         
1 1 1 26 0  4  o 22.9671 8.61202 5.67801      4.0964   5.67801      4.0964   32.0447     1.49895e-08 7.31477     1.49895e-08 
1 1 1 26 0  5  o 15.7429 7.18557 1.43648      4.05455  1.43648      4.05455  8.74434     90          21.3472     270         
1 1 1 26 0  6  o 26.1607 8.95543 7.15369      4.2078   7.15369      4.2078   19.1363     2.05868e-07 27.0707     180         
1 1 1 26 0  7  o 10.4556 5.27286 -4.20907     3.77155  -4.20907     3.77155  4.34715     89.9999     1.80889     270         
1 1 1 26 0  8  o 21.7393 8.49051 5.21538      4.14232  5.21538      4.14232  12.7513     360         28.7397     180         
1 1 1 26 0  9  o 24.0886 8.29626 5.95845      3.61868  5.95845      3.61868  10.1477     89.9999     8.56297     89.9999     
1 1 1 26 0  10 o 13.9623 6.44856 0.752245     3.4015   0.752245     3.4015   8.82728     180         4.42498     180         
1 1 1 26 0  11 o 14.5826 6.65347 1.19555      3.472    1.19555      3.472    17.7449     90          3.58426     90          
1 1 1 26 0  12 o 16.0786 7.05322 2.23653      3.48763  2.23653      3.48763  21.6977     180         11.3416     180         
1 1 1 26 0  13 o 29.6952 9.09206 8.86574      4.28834  8.86574      4.28834  47.3085     90          20.7753     90          
1 1 1 26 0  14 o 20.4427 9.40405 4.96745      7.132    4.96745      7.132    27.5377     360         5.44917     360         
1 1 1 26 0  15 o 17.1766 8.12472 1.79967      5.94118  1.79967      5.94118  11.6808     270         7.60514     270         
1 1 1 26 0  16 o 13.6209 6.69468 -1.64613     4.96088  -1.64613     4.96088  12.6689     180         5.63103     8.65353e-06 
1 1 1 26 0  17 o 19.27   8.23908 4.31341      4.49016  4.31341      4.49016  22.3476     90          2.39718     270         
1 1 1 26 0  18 o 13.9624 6.70112 -0.0238798   4.33058  -0.0238798   4.33058  11.6424     180         4.36139     180         
1 1 1 26 0  19 o 21.8321 8.72303 6.0023       4.49526  6.0023       4.49526  33.0982     90          13.4435     90          
1 1 1 26 0  20 o 12.5906 6.00897 -0.0728471   3.38688  -0.0728471   3.38688  6.32152     180         2.92052     180         
1 1 1 26 0  21 o 13.9408 6.44606 1.16674      3.41314  1.16674      3.41314  17.4608     270         7.51932     270         
1 1 1 26 0  22 o 13.0743 6.14934 0.580634     3.32106  0.580634     3.32106  10.2383     1.15044e-06 11.2802     180         
1 1 1 26 0  23 o 22.536  8.14378 5.95901      3.56773  5.95901      3.56773  36.1715     270         17.3164     270         
1 1 1 26 0  24 o 14.3134 6.55365 1.63323      3.40831  1.63323      3.40831  11.149      9.86855e-11 6.85757     9.86855e-11 
1 1 1 26 0  25 o 13.1655 6.19933 0.783041     3.39167  0.783041     3.39167  14.1723     270         1.24258     90          
1 1 1 26 0  26 f 21.1351 8.39608 6.06554      4.13375  6.06554      4.13375  27.9841     2.12691e-07 0           0           
1 1 1 26 0  27 o 8.84352 4.51901 -4.35592     3.19338  -4.35592     3.19338  4.56687     90          4.84469     270         
1 1 1 26 0  28 o 25.1911 8.28837 7.32208      3.56991  7.32208      3.56991  46.1399     360         33.1008     360         
1 1 1 26 0  29 o 27.9826 8.38936 8.48791      3.66139  8.48791      3.66139  45.1856     270         22.2789     270         
1 1 1 26 0  30 o 12.073  5.80031 0.125476     3.26179  0.125476     3.26179  8.02173     180         2.10077     8.65141e-06 
1 1 1 26 0  31 o 30.5053 8.03815 9.11858      3.51295  9.11858      3.51295  51.0606     270         28.3133     270         
1 1 1 26 0  32 o 11.1887 5.48129 -0.676191    3.2558   -0.676191    3.2558   2.68451     180         0.570606    8.80726e-06 
1 1 1 26 0  33 o 15.3487 6.98003 3.19775      3.78057  3.19775      3.78057  7.2034      270         4.18016     270         
1 1 1 26 0  34 o 10.3033 5.15142 -1.59833     3.33375  -1.59833     3.33375  3.36677     180         16.8834     8.55821e-06 
1 1 1 26 0  35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 1  0  o 15.1039 7.04129 0.695388     4.20057  0.695388     4.20057  16.0908     180         3.45291     180         
1 1 1 26 1  1  o 18.524  6.06301 -2.39678     4.08884  1.03071      4.17712  17.649      331.696     3.93061     151.696     
1 1 1 26 1  2  o 18.0139 5.91544 -5.69839     4.16944  1.95165      4.1267   19.4573     88.0711     4.33849     88.0711     
1 1 1 26 1  3  o 15.8386 5.41458 -1.18193     4.10211  -7.09703     4.01644  14.678      252.547     0.497277    72.547      
1 1 1 26 1  4  o 37.8277 7.1824  12.2904      4.40706  10.6186      4.14366  55.2755     248.884     20.7395     248.884     
1 1 1 26 1  5  o 19.2396 6.25038 0.626271     4.44412  -0.265765    4.00292  21.9621     130.154     5.28322     130.154     
1 1 1 26 1  6  o 19.976  6.37928 0.841615     4.3536   1.13097      4.00487  22.353      260.147     13.2601     260.147     
1 1 1 26 1  7  o 19.9355 6.42657 2.77572      4.45008  -2.14365     4.50324  20.7165     347.175     1.71966     167.175     
1 1 1 26 1  8  o 17.6118 5.83566 -3.45898     4.14687  0.616727     3.97076  11.3138     341.858     7.10999     341.858     
1 1 1 26 1  9  o 22.4562 6.68088 -0.0652737   4.28757  5.64048      4.08629  30.614      212.058     15.0362     212.058     
1 1 1 26 1  10 o 21.4406 6.4804  0.855125     3.89966  4.26284      3.87556  24.7786     16.328      17.5268     16.328      
1 1 1 26 1  11 o 32.0753 7.21956 7.69454      4.1201   10.1197      4.02327  45.6984     192.193     16.4468     192.193     
1 1 1 26 1  12 o 26.4047 7.31125 5.84605      4.30433  6.57284      4.34475  31.4933     88.8693     2.15596     88.8693     
1 1 1 26 1  13 o 20.6027 6.59486 4.20189      4.8553   -0.806531    4.18029  26.9461     239.758     11.9622     239.758     
1 1 1 26 1  14 o 31.5528 8.32118 10.07        6.43729  11.158       4.90889  44.8221     133.273     17.5886     133.273     
1 1 1 26 1  15 o 20.9223 6.75686 2.94962      4.83998  0.92662      4.90196  16.2681     343.241     14.9874     163.241     
1 1 1 26 1  16 o 16.4216 5.58015 -1.87368     4.21674  -2.56961     4.0077   14.9013     103.359     7.73832     103.359     
1 1 1 26 1  17 o 20.8844 6.66518 3.91069      4.40818  0.352472     4.94975  26.3707     202.554     11.6282     202.554     
1 1 1 26 1  18 o 18.074  5.88412 1.29212      3.82072  -0.162331    3.75138  19.2183     148.059     1.14658     148.059     
1 1 1 26 1  19 o 19.9119 6.27537 0.787753     4.05258  3.44366      3.86888  17.3433     350.292     12.3265     350.292     
1 1 1 26 1  20 o 17.1258 5.67382 0.755175     3.76428  -1.12371     3.78469  18.8694     25.0977     2.40897     25.0977     
1 1 1 26 1  21 o 19.3137 6.0392  -3.14972     3.92285  5.40392      3.88156  24.8948     4.65861     16.1119     4.65861     
1 1 1 26 1  22 o 15.6751 5.36246 -0.930863    4.15289  -2.874       3.70465  17.5909     290.087     3.32744     290.087     
1 1 1 26 1  23 o 15.1517 5.10314 0.361192     3.33507  -2.99532     3.29309  15.2685     113.464     1.00892     293.464     
1 1 1 26 1  24 o 16.3796 5.39602 2.01535      3.40694  -2.21556     3.39576  18.0508     151.612     2.39992     151.612     
1 1 1 26 1  25 o 21.076  6.15491 0.907063     3.33519  6.637        3.57635  26.2952     264.426     6.82791     264.426     
1 1 1 26 1  26 o 17.2287 5.5993  1.9965       3.32722  0.275023     3.54418  18.9679     209.836     11.2826     209.836     
1 1 1 26 1  27 o 14.6443 4.981   -2.33002     3.33144  -0.305302    3.29451  14.9117     187.217     5.94632     187.217     
1 1 1 26 1  28 o 17.4124 5.6384  2.14192      3.30827  1.16324      3.5411   20.991      149.904     9.61233     149.904     
1 1 1 26 1  29 o 25.9225 6.68138 8.21128      3.51909  6.47786      3.45267  21.6206     157.96      18.0282     157.96      
1 1 1 26 1  30 o 16.0281 5.383   0.0197261    3.42814  0.381914     3.76441  13.5806     273.624     4.68434     273.624     
1 1 1 26 1  31 o 14.4199 4.90894 -0.366432    3.23409  -1.84131     3.21599  10.1011     191.175     4.44471     11.1746     
1 1 1 26 1  32 o 21.3503 6.31424 3.98365      3.66848  6.21299      3.44833  26.5403     225.262     13.724      225.262     
1 1 1 26 1  33 o 17.7105 5.67796 5.64137      3.63002  -0.226929    3.25675  18.6082     107.925     10.07       107.925     
1 1 1 26 1  34 o 18.5719 5.74161 0.81798      3.29085  6.1097       3.32324  12.2291     156.124     9.05323     156.124     
1 1 1 26 1  35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 2  0  o 16.3474 7.39854 1.79541      4.18374  1.79541      4.18374  9.43395     180         21.522      8.66037e-06 
1 1 1 26 2  1  o 33.3035 6.54829 0.517254     4.23063  16.5355      4.71663  41.5096     112.651     3.78172     112.651     
1 1 1 26 2  2  o 22.9524 6.79015 0.364804     4.17065  5.68822      4.2501   25.1017     59.0443     0.994015    239.044     
1 1 1 26 2  3  o 18.3711 6.02217 -1.68482     4.07991  0.478852     4.07903  20.2928     204.443     4.6353      204.443     
1 1 1 26 2  4  f 21.3983 6.72465 0.0745375    4.22136  3.73972      4.71307  18.7557     345.897     0           0           
1 1 1 26 2  5  o 18.0985 5.92029 2.46388      4.14464  -5.87956     4.09373  20.3561     279.52      6.99915     279.52      
1 1 1 26 2  6  o 22.8826 6.92095 3.52281      4.61332  3.23364      4.0588   25.0002     133.074     1.10713     313.074     
1 1 1 26 2  7  o 26.4539 7.18041 7.48223      4.23871  3.97154      4.1682   32.423      173.544     4.51125     173.544     
1 1 1 26 2  8  o 23.4849 6.90181 5.8523       4.27473  1.76978      4.18217  24.7558     21.3246     3.83959     201.325     
1 1 1 26 2  9  o 22.7418 6.48153 7.58027      4.14426  -3.15988     4.09406  32.2052     353.498     18.9061     353.498     
1 1 1 26 2  10 o 19.5168 6.3237  -0.610024    4.23442  1.90233      4.38948  23.5518     161.137     13.8127     161.137     
1 1 1 26 2  11 o 18.5835 6.07501 -1.38527     4.17317  1.30664      4.08268  22.8565     191.687     8.91632     191.687     
1 1 1 26 2  12 o 16.1892 5.52099 -4.35632     4.14178  -1.58466     4.12407  9.91651     163.403     16.3244     343.403     
1 1 1 26 2  13 o 17.5434 5.86005 -0.163042    4.17076  -2.08997     4.1681   17.7021     303.478     2.13538     123.478     
1 1 1 26 2  14 o 25.0178 6.99229 10.755       4.94499  -1.7001      4.21103  36.7964     79.9326     20.7381     79.9326     
1 1 1 26 2  15 o 22.981  6.52937 6.71965      3.85235  0.785356     3.73027  27.3614     231.881     3.35626     231.881     
1 1 1 26 2  16 o 19.0875 6.02584 -1.8643      3.89094  3.52168      3.71775  22.6268     226.036     6.37327     226.036     
1 1 1 26 2  17 f 18.7486 5.94039 -4.08153     3.41744  4.9415       4.0939   10.311      28.9518     0           0           
1 1 1 26 2  18 o 20.274  6.18134 4.55169      3.74708  0.509308     3.43101  22.5267     161.652     1.17228     161.652     
1 1 1 26 2  19 o 22.2748 6.45777 3.28108      3.60734  4.8451       3.52802  28.1555     229.709     7.69036     229.709     
1 1 1 26 2  20 o 20.478  6.34095 -1.80623     4.04192  6.14494      4.18179  27.4766     343.935     16.3458     343.935     
1 1 1 26 2  21 o 17.6807 5.76972 4.24744      4.01452  -5.65283     3.87224  20.6797     258.74      4.04193     258.74      
1 1 1 26 2  22 o 17.0271 5.67491 1.45687      3.92339  -1.8208      3.85618  20.3712     286.966     5.91339     286.966     
1 1 1 26 2  23 o 20.0463 6.26845 5.06507      3.93583  0.567452     3.94572  23.4265     282.676     3.0765      282.676     
1 1 1 26 2  24 o 19.5561 6.25744 3.95243      3.86967  1.08405      4.45817  25.5163     273.559     12.3938     273.559     
1 1 1 26 2  25 o 15.7873 5.2459  1.05785      3.23274  -1.61768     3.36764  17.5307     4.96891     7.62341     4.96891     
1 1 1 26 2  26 o 17.2112 5.65196 -0.545307    3.44737  2.55795      3.76671  20.3249     151.932     7.25072     151.932     
1 1 1 26 2  27 o 25.4753 6.73965 3.66486      3.46254  10.8302      4.09677  29.699      252.108     1.49478     252.108     
1 1 1 26 2  28 o 15.8055 5.28735 1.263        3.52063  -1.20383     3.29622  16.1596     156.145     8.41295     156.145     
1 1 1 26 2  29 o 14.1514 4.86112 -2.50375     3.38641  -1.12203     3.3113   12.2225     273.253     0.164597    93.2528     
1 1 1 26 2  30 o 14.5217 4.93726 -1.02865     3.30564  -1.08166     3.15967  9.04214     11.2729     2.43482     11.2729     
1 1 1 26 2  31 o 16.5529 5.39885 -1.49114     3.34573  3.13388      3.29468  3.57137     335.491     1.84426     335.491     
1 1 1 26 2  32 o 12.5344 4.38433 -2.83712     3.1489   -3.72353     3.10053  7.47191     277.24      0.641405    97.2399     
1 1 1 26 2  33 o 16.3599 5.4813  1.69162      3.34254  1.60414      4.08838  13.918      274.385     5.9084      94.3848     
1 1 1 26 2  34 o 15.9741 5.37368 0.836658     3.6846   1.88335      3.56916  17.7022     186.826     8.28592     186.826     
1 1 1 26 2  35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 3  0  o 46.051  8.24656 15.9472      5.05633  15.9472      5.05633  69.512      180         24.1069     180         
1 1 1 26 3  1  o 18.9137 6.07053 -4.30013     4.11769  2.99242      4.04733  18.8619     260.624     2.68869     80.6241     
1 1 1 26 3  2  o 25.3808 7.31351 5.62371      4.21699  4.38009      4.9186   35.6332     64.5373     17.7824     64.5373     
1 1 1 26 3  3  f 18.2749 5.94985 0.0478457    3.91718  -0.454968    3.80972  6.49315     98.3115     0           0           
1 1 1 26 3  4  f 16.8599 5.61462 0.119153     3.87105  -3.60095     3.72393  8.00343     231.318     0           0           
1 1 1 26 3  5  o 21.5318 6.53841 2.93729      3.86325  2.23734      3.94082  27.6418     252.331     10.7747     252.331     
1 1 1 26 3  6  o 25.0967 7.02493 5.51993      3.97749  4.42788      4.11573  34.8316     139.139     15.1637     139.139     
1 1 1 26 3  7  o 22.3392 6.64111 2.78539      3.97665  3.72872      3.80438  15.7374     84.56       20.2755     264.56      
1 1 1 26 3  8  o 20.5397 6.43943 3.93947      4.27955  -0.815634    4.00795  21.9668     101.576     1.27318     281.576     
1 1 1 26 3  9  o 25.8241 7.41618 6.39633      4.32277  5.03572      5.06353  28.831      298.985     1.58707     118.985     
1 1 1 26 3  10 f 18.6485 6.07089 0.345833     4.02875  0.222366     4.01404  2.66942     68.737      0           0           
1 1 1 26 3  11 o 23.2346 6.56725 -1.36058     4.07618  7.62684      4.06923  29.6794     244.916     7.32641     244.916     
1 1 1 26 3  12 o 16.0013 5.34767 -5.63627     3.67792  0.818933     3.55935  16.1928     234.796     8.56238     234.796     
1 1 1 26 3  13 o 17.4673 5.70862 1.19576      3.63075  -1.99844     3.69634  12.6034     298.545     13.7816     118.545     
1 1 1 26 3  14 o 23.5887 6.7566  4.38152      3.90356  4.61011      3.73491  27.1438     136.837     1.08989     136.837     
1 1 1 26 3  15 o 17.2401 5.68084 0.123019     3.65745  -0.941178    3.72768  16.9548     285.5       2.26926     105.5       
1 1 1 26 3  16 o 18.7451 6.07589 2.70408      4.22457  -1.1636      3.74104  22.171      162.186     9.42227     162.186     
1 1 1 26 3  17 o 25.8019 6.96844 3.44997      4.12997  8.4888       4.04839  25.6352     259.929     8.16657     79.929      
1 1 1 26 3  18 o 18.3919 5.82867 3.53394      3.58013  -2.22793     3.64186  21.9204     249.496     7.49129     249.496     
1 1 1 26 3  19 f 20.5692 6.24733 3.61957      3.62975  2.42849      3.49786  7.14197     311.259     0           0           
1 1 1 26 3  20 o 18.0584 5.80136 1.41866      3.45975  1.04914      3.57649  22.6193     24.095      9.22351     24.095      
1 1 1 26 3  21 o 17.6546 5.70165 3.07434      3.48064  -2.82478     3.91982  9.73321     50.8321     20.9383     230.832     
1 1 1 26 3  22 o 22.3229 6.39679 6.33764      3.58123  2.50868      3.51274  29.7624     307.776     10.4447     307.776     
1 1 1 26 3  23 o 21.2708 6.53652 5.80604      4.19076  2.39598      3.85278  28.0879     277.702     11.0362     277.702     
1 1 1 26 3  24 o 17.8368 5.89263 2.79393      4.21358  -0.574397    3.78989  20.733      29.4558     12.1616     29.4558     
1 1 1 26 3  25 f 18.7617 6.06975 3.265        4.00741  1.25259      3.88749  11.6549     37.712      0           0           
1 1 1 26 3  26 o 15.7363 5.33518 -0.395625    3.59533  -1.06346     3.85131  16.1038     358.585     8.28041     358.585     
1 1 1 26 3  27 o 16.4928 5.3987  -1.99181     3.46554  2.78553      3.3005   15.4698     28.2597     9.57747     28.2597     
1 1 1 26 3  28 o 19.2546 6.05187 0.916587     3.34015  5.49613      3.92039  21.906      3.30241     14.0828     3.30241     
1 1 1 26 3  29 o 17.3623 5.66729 1.93997      3.36409  1.37959      3.74466  8.06915     13.5829     5.00561     13.5829     
1 1 1 26 3  30 o 17.5559 5.67748 2.95207      3.35791  0.518422     3.66324  15.2418     298.399     6.8395      298.399     
1 1 1 26 3  31 o 16.4962 5.49208 -0.385777    3.81547  1.88869      3.48647  7.52301     202.248     3.74187     202.248     
1 1 1 26 3  32 o 21.1392 6.27498 5.93584      3.44614  4.58131      3.505    26.2271     255.626     10.6179     255.626     
1 1 1 26 3  33 o 18.1846 5.71055 5.24956      3.31758  1.26376      3.29646  17.6654     220.924     11.4227     220.924     
1 1 1 26 3  34 o 14.5786 4.93881 0.326425     3.23089  -0.130165    3.10611  13.5028     278.285     7.40639     278.285     
1 1 1 26 3  35 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 4  0  o 22.6125 8.18528 5.33013      3.6079   5.33013      3.6079   28.0662     180         0.0187836   360         
1 1 1 26 4  1  o 17.0419 5.58613 -1.05341     3.53877  -0.39877     3.45144  18.4544     228.514     6.4123      228.514     
1 1 1 26 4  2  o 25.6393 6.7702  7.02285      3.67216  2.89136      3.92702  20.7611     108.687     18.627      288.687     
1 1 1 26 4  3  o 18.1547 5.82615 1.68995      3.55094  -1.80259     3.69071  20.42       288.994     10.2025     288.994     
1 1 1 26 4  4  o 25.9417 6.80194 4.50756      3.6907   6.19189      3.60852  31.9621     113.12      4.73654     113.12      
1 1 1 26 4  5  o 19.9071 6.10384 -0.895599    3.61504  3.65629      3.61115  18.1226     233.439     8.29355     53.4394     
1 1 1 26 4  6  o 15.1887 5.1409  -1.75511     3.41722  -3.31218     3.43672  14.9508     319.541     4.72154     319.541     
1 1 1 26 4  7  o 18.7911 6.00506 1.4189       3.53715  -0.187154    3.95548  22.072      53.1778     5.38658     53.1778     
1 1 1 26 4  8  o 17.251  5.73846 0.831289     4.02073  -3.79231     3.92504  18.3625     91.5365     9.99988     91.5365     
1 1 1 26 4  9  o 15.3393 5.26806 -2.8084      3.93747  -4.40343     3.90316  15.2834     267.833     6.80208     267.833     
1 1 1 26 4  10 o 22.3075 6.70725 4.52167      4.11513  2.29394      3.99819  21.679      208.407     7.65212     28.4066     
1 1 1 26 4  11 o 24.0103 6.63092 -0.185398    4.01016  7.98897      4.02304  31.9139     348.594     10.3229     348.594     
1 1 1 26 4  12 o 21.4281 6.60833 4.15127      3.95134  0.839412     4.55868  22.5799     144.932     2.73508     324.932     
1 1 1 26 4  13 o 18.5571 5.88259 2.99368      3.66737  -1.64799     3.50432  22.2761     356.869     12.1338     356.869     
1 1 1 26 4  14 o 18.5811 5.9499  1.70245      3.61896  0.00450614   3.75681  21.9425     298.307     6.70128     298.307     
1 1 1 26 4  15 o 24.6538 7.15475 4.75394      4.74639  6.08924      4.09965  29.6329     349.084     4.32608     349.084     
1 1 1 26 4  16 o 20.8067 6.47757 3.70762      4.16257  1.77295      3.91094  24.9954     52.2657     15.2899     52.2657     
1 1 1 26 4  17 o 15.3666 5.2789  -1.57953     3.95599  -4.67592     3.9552   11.4788     36.2643     5.70714     36.2643     
1 1 1 26 4  18 o 20.4569 6.29507 0.556845     3.79736  4.64128      3.8422   19.8723     234.681     5.85969     54.6814     
1 1 1 26 4  19 o 14.9549 5.09331 -4.24578     3.64304  -0.657861    3.4216   15.1124     48.9034     6.97699     48.9034     
1 1 1 26 4  20 o 18.5569 5.91823 -2.08606     3.65488  4.23875      3.84234  24.3262     209.189     12.8167     209.189     
1 1 1 26 4  21 f 19.7686 6.04778 4.16182      3.46125  1.24814      3.43853  21.1113     350.878     0           0           
1 1 1 26 4  22 o 22.0256 6.41987 4.33092      3.46691  4.62993      3.57154  31.7967     245.045     18.755      245.045     
1 1 1 26 4  23 o 20.6806 6.19192 4.53814      3.46549  2.81142      3.39373  22.856      358.166     0.14375     178.166     
1 1 1 26 4  24 o 20.1081 6.1389  2.87346      3.40296  4.04008      3.54521  26.8666     348.369     14.8716     348.369     
1 1 1 26 4  25 o 18.159  5.89833 3.95852      3.69929  -2.44595     4.51679  21.8555     261.606     7.37199     261.606     
1 1 1 26 4  26 o 22.2978 6.23879 9.51666      3.84795  -2.93453     4.34992  31.0843     74.0564     15.2369     74.0564     
1 1 1 26 4  27 o 15.9707 5.42568 0.464604     3.90484  -1.3916      3.88316  17.5476     277.735     7.53299     277.735     
1 1 1 26 4  28 o 15.8133 5.4011  -0.00511244  3.81923  -1.49363     4.18357  15.9586     302.362     4.356       302.362     
1 1 1 26 4  29 o 14.1136 4.82713 -0.937785    3.19821  -2.16338     3.21727  10.9789     325.558     1.68478     145.558     
1 1 1 26 4  30 o 16.9676 5.50117 2.86924      3.34776  0.0120015    3.2338   12.6423     348.72      5.21609     348.72      
1 1 1 26 4  31 o 14.9117 5.02618 -0.371642    3.14706  -0.177385    3.2442   2.50043     146.037     1.10401     146.037     
1 1 1 26 4  32 o 13.5519 4.69472 -3.43227     3.45236  -0.614043    3.2349   7.14898     195.713     2.52591     195.713     
1 1 1 26 4  33 o 17.7118 5.67056 4.67467      3.43543  1.48528      3.30052  12.5417     103.235     8.66227     103.235     
1 1 1 26 4  34 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 5  0  o 8.86565 4.55437 -6.24581     3.4754   -6.24581     3.4754   2.56608     180         4.08209     360         
1 1 1 26 5  1  o 17.0849 5.61818 0.239124     3.5569   -1.98294     3.65437  11.322      186.934     7.04952     186.934     
1 1 1 26 5  2  o 21.0621 6.31513 4.01242      3.62737  0.728723     3.67284  26.005      124.433     6.95264     124.433     
1 1 1 26 5  3  o 20.2881 6.30514 3.27122      3.59839  -0.752995    4.43572  19.4923     232.951     6.23546     52.9509     
1 1 1 26 5  4  o 28.3895 7.09993 5.60047      3.93265  8.11321      3.93702  43.4758     333.665     24.265      333.665     
1 1 1 26 5  5  o 23.5047 6.83905 4.88504      4.04975  3.40164      3.94671  31.7728     255.178     12.8463     255.178     
1 1 1 26 5  6  o 18.1685 5.87405 -2.14285     3.83738  1.88149      3.71651  16.4126     312.443     7.15798     132.443     
1 1 1 26 5  7  o 20.8215 6.36744 3.47537      3.77767  1.23972      3.79583  25.5813     353.896     17.4597     353.896     
1 1 1 26 5  8  o 17.7859 5.80674 1.54757      3.84183  -2.24278     3.69606  21.6308     354.661     8.89823     354.661     
1 1 1 26 5  9  o 19.9742 6.37834 -0.258387    4.39454  2.7246       4.10526  21.08       76.9763     1.90235     256.976     
1 1 1 26 5  10 o 20.1515 6.43538 1.90769      4.26214  1.31878      4.2387   21.66       311.653     0.88831     131.653     
1 1 1 26 5  11 f 31.8938 7.12376 4.91692      4.42202  13.0202      4.33802  25.2825     161.968     0           0           
1 1 1 26 5  12 o 22.7589 6.60787 0.292439     4.02361  6.60264      3.99178  31.9092     90.6626     19.7037     90.6626     
1 1 1 26 5  13 o 16.2878 5.45884 0.19028      3.78924  -3.33346     3.57122  17.311      335.295     5.9822      335.295     
1 1 1 26 5  14 o 23.8737 6.84721 6.27548      4.19284  3.49238      3.68759  30.4122     158.163     8.62559     158.163     
1 1 1 26 5  15 o 18.8858 6.12767 -1.70795     5.06923  2.20898      3.55314  16.695      96.4744     7.63679     276.474     
1 1 1 26 5  16 o 26.5738 7.42547 7.57392      4.32612  6.75638      4.72967  37.4778     159.871     17.3822     159.871     
1 1 1 26 5  17 o 26.4916 7.16246 3.96774      3.92303  9.86643      4.50905  37.9911     119.369     18.0263     119.369     
1 1 1 26 5  18 o 21.8567 6.20065 -1.96258     3.4608   7.99888      3.89578  30.6439     345.454     20.7698     345.454     
1 1 1 26 5  19 o 15.9623 5.33652 0.631877     3.45813  -2.62217     3.56873  13.3941     62.3054     8.00815     242.305     
1 1 1 26 5  20 o 20.5991 6.20179 4.1102       3.50072  2.60672      3.43354  28.8333     49.947      19.0032     49.947      
1 1 1 26 5  21 o 16.434  5.45564 -0.477611    3.39189  0.37648      3.60922  17.7802     142.149     1.137       142.149     
1 1 1 26 5  22 o 22.0323 6.42803 2.39348      3.55007  6.51364      3.7402   21.228      73.3108     7.59496     253.311     
1 1 1 26 5  23 o 20.3518 6.15036 5.93671      3.67664  0.623595     3.50378  24.9606     14.6355     17.4786     14.6355     
1 1 1 26 5  24 o 17.8282 5.64486 -3.94994     3.99097  4.36779      3.33977  8.7267      181.203     6.33091     181.203     
1 1 1 26 5  25 o 15.9352 5.34042 2.69396      3.77311  -3.66388     3.25725  15.9971     289.446     0.631188    109.446     
1 1 1 26 5  26 o 16.589  5.42416 0.00261445   3.34843  1.85189      3.23304  19.2451     169.431     7.90286     169.431     
1 1 1 26 5  27 o 14.7261 5.06364 -4.97304     3.6144   0.705286     3.72401  13.8596     4.22273     5.42602     4.22273     
1 1 1 26 5  28 o 15.5307 5.33472 -0.599945    3.67776  -1.77231     4.43038  13.5349     98.9003     4.69281     98.9003     
1 1 1 26 5  29 o 15.6136 5.31472 -0.00252867  3.75039  -1.22203     3.80667  12.442      112.686     2.73014     112.686     
1 1 1 26 5  30 o 15.6083 5.30483 -0.707884    3.69788  0.0492773    3.75211  9.35145     304.079     3.40181     304.079     
1 1 1 26 5  31 o 15.1654 5.08456 -2.52375     3.23601  2.15646      3.27219  11.3575     125.946     4.33614     125.946     
1 1 1 26 5  32 f 15.5546 5.17697 2.95438      3.2486   -1.64025     3.33408  14.7934     274.594     0           0           
1 1 1 26 5  33 o 13.3438 4.62866 -0.317701    3.24774  -3.39311     3.27453  3.61913     109.749     2.0356      109.749     
1 1 1 26 5  34 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 6  0  f 14.8266 6.92514 0.804786     4.09353  0.804786     4.09353  27.7469     360         0           0           
1 1 1 26 6  1  o 16.5947 5.58196 -3.77475     3.96169  -0.396498    3.91704  18.4092     350.732     5.17397     350.732     
1 1 1 26 6  2  o 30.6344 7.20302 5.38581      4.1934   11.0146      4.23047  38.5299     35.7816     5.4079      35.7816     
1 1 1 26 6  3  f 19.9689 6.33491 1.45193      4.08804  1.5884       3.99456  11.7711     68.4692     0           0           
1 1 1 26 6  4  o 19.0966 6.0685  -2.84036     4.03348  3.35697      3.86724  23.0116     321.959     14.0468     321.959     
1 1 1 26 6  5  f 27.3304 6.79359 10.5947      4.14229  0.49371      4.46421  31.2209     108.246     0           0           
1 1 1 26 6  6  o 20.9406 6.46453 1.22436      4.04801  3.48405      3.92158  22.3429     38.9857     2.03906     218.986     
1 1 1 26 6  7  o 22.7063 6.66933 6.28547      4.08721  0.413842     4.08721  30.5532     209.69      12.2171     209.69      
1 1 1 26 6  8  o 17.418  5.8112  -3.67661     3.9981   1.00191      4.21302  18.4405     340.1       0.510902    340.1       
1 1 1 26 6  9  o 18.5535 6.03912 0.662778     4.29348  0.199689     3.64379  20.4644     288.159     1.79892     288.159     
1 1 1 26 6  10 o 23.0086 6.85176 4.92962      4.35823  3.31271      3.91022  29.1717     249.406     8.29045     249.406     
1 1 1 26 6  11 o 20.8853 6.55322 2.46244      4.1588   2.49116      4.24396  15.31       349.089     16.8037     169.089     
1 1 1 26 6  12 o 19.0262 6.09005 -0.835403    3.95403  2.6799       3.86829  22.9304     325.713     9.19691     325.713     
1 1 1 26 6  13 o 18.1614 5.89574 0.164698     3.51373  1.04583      3.97871  20.3364     192.372     9.98146     192.372     
1 1 1 26 6  14 o 18.9329 5.95313 2.47205      3.50013  0.609554     3.52697  22.4146     68.6106     8.18192     68.6106     
1 1 1 26 6  15 o 19.2229 6.11685 5.45678      4.35647  -3.49183     3.58298  21.0045     265.705     13.0163     265.705     
1 1 1 26 6  16 o 26.0458 6.98481 3.82535      4.48537  8.64147      3.90761  34.3712     329.558     10.4621     329.558     
1 1 1 26 6  17 o 18.3195 6.00384 0.367436     3.84169  1.3961       4.20385  19.3033     135.289     0.617216    315.288     
1 1 1 26 6  18 o 26.2968 6.83327 8.71255      3.65433  4.40841      4.26881  29.6017     131.736     1.52561     311.736     
1 1 1 26 6  19 o 15.7466 5.33998 -1.8866      3.3724   -0.666228    4.01395  16.7835     154.807     9.92366     154.807     
1 1 1 26 6  20 o 21.3695 6.30874 6.56899      3.66789  -0.0378432   4.05356  26.7543     146.522     6.63927     146.522     
1 1 1 26 6  21 o 18.2554 5.83107 -0.0550392   3.92516  2.93607      3.32684  19.3249     104.756     13.2195     104.756     
1 1 1 26 6  22 o 16.8779 5.52632 1.17885      3.41651  0.29799      3.39615  19.7824     101.55      9.99447     101.55      
1 1 1 26 6  23 o 19.6285 5.99169 1.40276      3.35413  4.61297      3.41237  16.1639     24.1156     12.0789     24.1156     
1 1 1 26 6  24 o 23.9048 6.67347 4.61587      3.56324  7.59624      3.78819  33.5625     315.74      24.7227     315.74      
1 1 1 26 6  25 o 16.346  5.38334 -2.26143     3.34578  2.79895      3.44459  11.6911     124.086     7.61466     124.086     
1 1 1 26 6  26 o 19.2285 5.97987 2.61418      3.39492  3.76877      3.4676   23.2062     205.969     6.62577     205.969     
1 1 1 26 6  27 o 19.6933 5.96308 5.82545      3.43415  0.713577     3.40247  20.0754     193.776     1.85231     13.7762     
1 1 1 26 6  28 o 16.0359 5.298   -1.84605     3.27244  2.40245      3.34386  5.09704     232.468     2.62709     232.468     
1 1 1 26 6  29 o 15.6143 5.3023  -2.61781     3.71769  1.39073      3.7538   11.3904     141.469     2.4897      141.469     
1 1 1 26 6  30 o 17.1647 5.69293 2.36628      3.78056  0.875547     3.84947  16.5085     269.015     5.86807     269.015     
1 1 1 26 6  31 o 14.7853 5.09335 -2.62578     3.8444   0.772998     3.70319  7.35061     244.976     3.54684     244.976     
1 1 1 26 6  32 o 17.6072 5.80234 4.12782      3.84876  2.13344      3.8847   20.3072     207.964     10.0475     207.964     
1 1 1 26 6  33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 7  0  o 11.7989 5.84529 -2.47932     3.99599  -2.47932     3.99599  11.0995     360         0.502308    180         
1 1 1 26 7  1  o 28.2791 6.89227 2.01047      4.16112  11.1359      4.24033  28.4361     182.187     9.60462     2.18724     
1 1 1 26 7  2  o 30.2483 7.41101 8.63988      4.25163  8.01591      4.16918  43.6236     161.991     18.1812     161.991     
1 1 1 26 7  3  o 23.4437 6.87362 3.38169      4.09327  5.15673      4.09427  32.6802     189.751     15.6964     189.751     
1 1 1 26 7  4  o 20.3376 6.4685  2.18409      4.11098  1.33403      4.40343  20.8285     210.435     3.27264     30.4349     
1 1 1 26 7  5  o 17.9138 5.91859 -1.86625     4.16818  0.699433     3.99715  19.4217     264.086     1.42824     264.086     
1 1 1 26 7  6  o 26.0709 7.1034  6.95012      4.17655  5.01138      3.90772  35.7797     142.685     13.6852     142.685     
1 1 1 26 7  7  o 18.5654 6.07664 0.795892     4.49921  -0.123039    3.67539  19.6606     74.9984     0.0468821   254.998     
1 1 1 26 7  8  o 15.5255 5.26547 -2.8173      3.72785  -1.85505     3.53943  13.468      8.21584     5.16858     188.216     
1 1 1 26 7  9  o 20.976  6.44123 2.58705      3.63167  2.91979      4.10006  24.2529     85.1918     3.28939     85.1918     
1 1 1 26 7  10 o 18.5153 6.01219 1.29518      3.77601  -0.245792    4.10234  16.7053     6.84674     6.70616     186.847     
1 1 1 26 7  11 o 16.9594 5.66041 -1.09477     3.76606  -0.685195    3.95722  17.8105     17.876      2.77415     17.876      
1 1 1 26 7  12 o 20.8    6.28435 -0.139535    3.87746  4.97743      3.69944  15.7775     147.326     15.2873     327.326     
1 1 1 26 7  13 o 17.7418 5.85782 0.605552     3.79777  -0.640968    4.14342  7.2583      56.2627     4.7823      56.2627     
1 1 1 26 7  14 o 20.0565 6.26751 4.13326      3.98481  0.460763     3.74017  25.3702     29.2432     11.1704     29.2432     
1 1 1 26 7  15 o 15.7244 5.28106 -0.26326     3.43495  -2.44374     3.54619  15.544      337.24      7.76162     337.24      
1 1 1 26 7  16 o 18.3801 5.9441  2.54013      3.97131  -0.0735995   3.56874  22.9899     314.364     11.776      314.364     
1 1 1 26 7  17 o 21.5572 6.71286 7.30408      4.86204  0.622647     3.88101  15.5058     94.6399     18.4123     274.64      
1 1 1 26 7  18 o 17.7063 5.76244 3.68096      3.85326  -3.38511     3.75014  16.685      136.521     11.8037     136.521     
1 1 1 26 7  19 o 18.0182 5.761   2.25442      3.45918  0.787992     3.39679  20.8882     311.043     3.65643     311.043     
1 1 1 26 7  20 o 19.9455 6.11813 1.68588      3.48168  4.41462      3.57552  26.27       156.776     16.85       156.776     
1 1 1 26 7  21 o 19.2291 5.96668 1.10126      3.48603  4.08481      3.44806  24.6741     63.2579     14.7624     63.2579     
1 1 1 26 7  22 o 21.1145 6.38188 4.56464      3.54122  3.88726      3.86536  26.5649     143.47      8.30326     143.47      
1 1 1 26 7  23 o 18.107  5.77663 3.10691      3.47833  0.831474     3.40444  19.5897     168.382     0.986942    168.382     
1 1 1 26 7  24 o 21.144  5.99143 7.77465      3.484    -0.823958    3.45009  27.5419     198.129     10.1542     198.129     
1 1 1 26 7  25 o 14.5662 4.95392 -2.57462     3.30445  -0.0222429   3.26156  14.6435     289.388     1.87603     289.388     
1 1 1 26 7  26 o 15.2784 5.09899 -4.21855     3.40812  2.20098      3.21565  14.8297     103.492     4.34466     103.492     
1 1 1 26 7  27 o 22.2821 6.40587 5.19674      3.4448   5.51192      3.44576  14.7378     232.748     11.0427     232.748     
1 1 1 26 7  28 o 18.5327 5.82492 4.47471      3.46196  0.828133     3.36133  17.906      302.976     7.57541     302.976     
1 1 1 26 7  29 o 16.6236 5.39961 3.98006      3.36502  -2.70252     3.34435  2.13537     278.519     1.18595     278.519     
1 1 1 26 7  30 o 18.3876 5.69022 5.60971      3.28335  0.0351205    3.28357  19.5639     294.457     10.6535     294.457     
1 1 1 26 7  31 o 14.5088 5.00979 1.29189      3.73125  -3.26248     3.63324  8.6909      2.95002     4.46115     2.95002     
1 1 1 26 7  32 o 15.5682 5.27076 -4.32947     3.75783  3.96005      3.73033  17.3893     241.965     5.86696     241.965     
1 1 1 26 7  33 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 8  0  o 16.9304 7.31158 2.77537      3.61287  2.77537      3.61287  23.2238     180         8.55653     180         
1 1 1 26 8  1  o 22.8583 6.63236 2.1401       3.95129  5.46251      3.76511  31.4073     220.377     15.1409     220.377     
1 1 1 26 8  2  o 20.3895 6.19135 4.87337      3.79748  -1.09546     3.61123  26.2776     333.611     11.2365     333.611     
1 1 1 26 8  3  o 17.3958 5.80285 0.703328     4.18198  -2.90101     3.95613  19.6617     358.109     6.34973     358.109     
1 1 1 26 8  4  f 18.5333 5.9401  0.801325     3.67195  0.930357     3.64705  26.3187     13.6092     0           0           
1 1 1 26 8  5  o 18.1625 5.8657  1.9093       3.60027  -1.52876     3.90443  18.5879     283.142     11.182      283.142     
1 1 1 26 8  6  o 26.6658 6.34004 0.792297     3.62312  10.0957      3.74091  30.589      20.4853     25.6701     20.4853     
1 1 1 26 8  7  o 17.1379 5.67169 -1.16827     3.68215  0.0387495    3.79738  18.8447     159.679     6.59877     159.679     
1 1 1 26 8  8  o 29.1805 6.96455 8.42456      3.76182  6.73266      3.70704  43.2157     351.88      21.4514     351.88      
1 1 1 26 8  9  o 21.5283 6.3622  0.288071     3.69686  5.69227      3.77485  27.4143     342.653     10.3393     342.653     
1 1 1 26 8  10 o 19.4211 6.11532 0.264825     3.61708  3.21586      3.8371   22.1772     78.4274     12.5532     78.4274     
1 1 1 26 8  11 o 15.6693 5.33315 -1.84278     3.68008  -2.55678     3.92344  15.5746     10.1178     2.86748     10.1178     
1 1 1 26 8  12 o 17.1004 5.64688 -0.43842     3.65708  0.111519     3.68896  18.5686     259.733     3.54461     259.733     
1 1 1 26 8  13 o 19.4689 6.18465 -6.52465     4.32348  6.1753       4.40014  24.3409     250.567     10.2068     250.567     
1 1 1 26 8  14 o 19.2964 5.88631 -4.63502     4.05236  5.33443      3.52677  9.51503     270.711     7.24641     270.711     
1 1 1 26 8  15 o 17.3445 5.67853 2.15054      3.63479  -1.80661     3.71829  17.0363     146.286     3.36382     326.286     
1 1 1 26 8  16 o 17.8874 5.85949 2.57675      4.17898  -0.639943    3.41245  22.3746     255.433     13.3458     255.433     
1 1 1 26 8  17 o 15.736  5.35113 -1.96624     3.85988  -1.07829     3.75508  18.0158     117.181     5.48914     117.181     
1 1 1 26 8  18 o 26.075  6.49052 9.94283      3.64036  2.55861      3.88208  28.7098     192.812     2.67749     12.8124     
1 1 1 26 8  19 o 19.394  6.05051 2.70657      3.56332  2.80562      3.50172  25.2423     24.8893     14.9528     24.8893     
1 1 1 26 8  20 o 22.3827 6.2192  7.91492      3.54423  0.355968     3.68121  32.1352     102.779     18.7174     102.779     
1 1 1 26 8  21 o 16.2499 5.38823 -1.40961     3.38787  1.55562      3.47311  14.4831     186.403     8.80371     186.403     
1 1 1 26 8  22 o 22.6249 6.38614 6.90269      3.50779  3.24269      3.44107  29.5061     168.924     10.2282     168.924     
1 1 1 26 8  23 o 19.2014 5.90772 0.27658      3.5172   5.14106      3.40533  22.9261     333.076     15.0327     333.076     
1 1 1 26 8  24 o 14.5227 4.96023 -0.839884    3.43953  -1.91636     3.25412  12.9931     338.772     6.26093     338.772     
1 1 1 26 8  25 o 17.4517 5.58485 -0.296427    3.27732  3.59491      3.33595  7.11398     253.68      4.74035     253.68      
1 1 1 26 8  26 o 15.6148 5.22539 0.412315     3.35916  -0.288972    3.30949  10.3248     152.815     4.47742     152.815     
1 1 1 26 8  27 o 16.4403 5.39572 2.31634      3.31327  -0.61186     3.32481  11.3782     308.3       4.40447     308.3       
1 1 1 26 8  28 o 14.5695 4.95297 0.186118     3.2873   -2.04093     3.23328  7.47582     117.939     2.25488     117.939     
1 1 1 26 8  29 o 16.6924 5.54369 0.201195     3.34535  3.11367      3.8594   9.96057     220.034     5.57458     220.034     
1 1 1 26 8  30 o 15.14   5.0825  -1.17231     3.27322  2.05097      3.22248  12.1027     32.4505     5.98804     32.4505     
1 1 1 26 8  31 o 14.3248 4.8814  -0.626838    3.18485  0.129987     3.22158  14.6276     72.3172     3.11873     72.3172     
1 1 1 26 8  32 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 9  0  o 10.4411 5.2794  -4.2613      3.87914  -4.2613      3.87914  4.31865     360         13.564      180         
1 1 1 26 9  1  o 20.2824 6.29779 3.46376      3.68201  0.714637     4.08384  15.532      307.454     11.1012     307.454     
1 1 1 26 9  2  o 15.2808 5.25333 -4.5524      3.65853  -1.90545     4.10353  8.88041     258.222     4.54131     258.222     
1 1 1 26 9  3  o 23.1783 6.6345  6.22309      3.63162  1.45285      4.41929  18.7953     112.16      15.225      292.16      
1 1 1 26 9  4  o 23.191  6.68256 2.15103      3.78134  6.42388      3.97863  31.2122     101.531     20.4619     101.531     
1 1 1 26 9  5  o 17.9753 5.84028 -2.15606     3.61931  2.50405      3.90177  15.926      202.415     6.41066     22.4152     
1 1 1 26 9  6  o 14.6914 5.05667 -5.11783     3.59735  -1.81439     3.72737  11.4259     24.6194     4.05985     24.6194     
1 1 1 26 9  7  o 14.5909 5.02882 -2.66524     3.6229   -4.29873     3.71055  13.0354     344.354     1.82841     344.354     
1 1 1 26 9  8  o 17.3075 5.6345  2.45126      3.62317  -3.07735     3.573    12.3651     227.912     12.8661     47.9124     
1 1 1 26 9  9  o 15.9763 5.39084 -5.77824     3.91757  0.890518     3.75327  10.4218     139.113     13.4931     319.113     
1 1 1 26 9  10 o 27.1978 7.12557 6.79721      4.33827  7.51194      3.71447  41.553      96.5399     26.267      96.5399     
1 1 1 26 9  11 o 20.0883 6.15419 5.83378      3.87572  -3.07816     4.04571  25.0547     264.359     8.4053      264.359     
1 1 1 26 9  12 o 16.3852 5.50598 -2.40623     3.78843  0.275818     3.80733  18.6223     301.753     7.08997     301.753     
1 1 1 26 9  13 o 25.4484 6.80446 8.87648      3.93264  3.47558      3.83342  30.6811     295.404     3.65691     295.404     
1 1 1 26 9  14 o 14.6421 5.00413 -4.94138     3.58425  -0.475706    3.40281  14.2497     30.6935     1.76115     210.694     
1 1 1 26 9  15 o 23.7142 6.67762 2.73794      3.63231  8.01342      3.99545  30.8206     165.546     9.10208     165.546     
1 1 1 26 9  16 o 15.1222 5.17501 -1.54201     3.9277   -2.33595     3.41547  4.76528     329.105     3.15373     329.105     
1 1 1 26 9  17 o 17.4029 5.76421 1.97309      3.93302  -1.02306     3.87594  19.1006     163.725     2.03541     163.725     
1 1 1 26 9  18 o 18.0606 5.838   2.69122      3.54945  0.192123     3.84653  19.4705     81.9523     0.827281    81.9523     
1 1 1 26 9  19 o 17.8418 5.77734 -2.21968     4.24505  3.48313      3.49843  20.2574     195.251     4.1175      195.251     
1 1 1 26 9  20 o 21.2237 6.34406 3.86169      3.62069  4.75401      3.53867  28.5369     12.915      14.2351     12.915      
1 1 1 26 9  21 o 16.8055 5.48911 2.31103      3.36485  -0.662125    3.39162  19.4633     332.189     8.10632     332.189     
1 1 1 26 9  22 o 17.8581 5.72356 1.71471      3.41855  2.4054       3.38472  20.5123     34.907      4.84789     34.907      
1 1 1 26 9  23 o 16.0465 5.3767  -0.79704     3.38234  1.15741      3.69825  15.883      305.735     8.38783     305.735     
1 1 1 26 9  24 o 16.9828 5.59376 0.491413     3.38002  2.11532      3.73472  2.90892     46.3179     1.86127     46.3179     
1 1 1 26 9  25 o 14.3038 4.89194 -0.0763865   3.32386  -3.16594     3.28335  3.03014     297.424     1.15275     297.424     
1 1 1 26 9  26 o 15.4657 5.17219 1.99198      3.3644   -2.6268      3.26765  7.37807     194.468     2.53617     194.468     
1 1 1 26 9  27 o 19.4739 5.95603 5.25128      3.39275  1.77822      3.34823  17.3274     356.721     10.4018     356.721     
1 1 1 26 9  28 o 16.6197 5.45769 1.42228      3.43855  1.94192      3.28555  7.04783     16.8211     4.10699     16.8211     
1 1 1 26 9  29 o 17.4679 5.61528 4.15863      3.36072  1.42968      3.32554  16.9803     115.537     9.97546     115.537     
1 1 1 26 9  30 o 15.4058 5.1586  0.531436     3.279    1.39422      3.24719  13.0257     246.347     7.74508     246.347     
1 1 1 26 9  31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 10 0  o 8.9673  4.62129 -6.86088     3.74682  -6.86088     3.74682  2.84835     360         6.92023     180         
1 1 1 26 10 1  o 16.9051 5.67046 -2.3362      4.09235  0.123004     3.9148   13.08       107.28      9.7636      287.28      
1 1 1 26 10 2  o 22.6292 6.77946 3.17695      4.13628  5.3315       4.11893  26.5787     179.941     18.8368     179.941     
1 1 1 26 10 3  o 18.6692 6.00484 1.37074      3.6673   1.07085      3.90127  20.5147     219.465     2.85653     219.465     
1 1 1 26 10 4  f 24.5826 6.82822 4.01537      4.04148  6.78906      3.75397  23.5762     249.104     0           0           
1 1 1 26 10 5  o 28.0126 7.17435 7.28968      4.06431  7.85859      3.91968  34.3334     153.545     5.16049     153.545     
1 1 1 26 10 6  o 16.9196 5.6738  0.886394     4.19862  -2.54587     3.69452  16.9719     210.761     0.521002    30.7612     
1 1 1 26 10 7  o 29.8845 7.0815  5.92142      3.86669  11.1642      4.13552  38.6464     224.904     8.92398     224.904     
1 1 1 26 10 8  o 16.1747 5.47663 -0.728055    3.84481  -2.41668     3.95783  17.5325     184.855     4.257       184.855     
1 1 1 26 10 9  o 14.7838 5.08319 -3.73196     3.87559  -2.15039     3.51711  12.64       281.003     5.22631     101.003     
1 1 1 26 10 10 o 15.6861 5.29359 -1.34863     3.58348  -1.19847     3.55252  17.553      133.518     5.71235     133.518     
1 1 1 26 10 11 o 19.4658 6.17846 3.09536      3.88916  1.46581      3.83611  25.5942     29.4986     15.3029     29.4986     
1 1 1 26 10 12 o 19.7512 6.2834  5.32339      4.35848  -0.66979     3.8133   20.6015     125.116     15.2183     125.116     
1 1 1 26 10 13 o 14.2418 4.93343 -3.70387     3.75865  -2.97638     3.55693  14.9508     290.587     6.05408     290.587     
1 1 1 26 10 14 o 17.0491 5.6197  2.29318      3.56399  -2.80652     4.01299  17.7432     287.525     0.480518    107.525     
1 1 1 26 10 15 o 16.4796 5.4563  1.25574      3.52804  -1.18067     3.4422   17.8689     306.426     10.2826     306.426     
1 1 1 26 10 16 o 16.6881 5.57513 1.19417      4.01232  -0.946549    3.46297  15.3098     256.902     4.77055     76.902      
1 1 1 26 10 17 o 13.7811 4.8167  -3.87304     3.79455  -4.11059     3.69899  9.83014     305.316     4.7362      305.316     
1 1 1 26 10 18 o 16.9504 5.62719 1.91977      3.47949  -1.91149     4.32573  19.4057     3.92526     6.74605     3.92526     
1 1 1 26 10 19 o 18.3986 5.85843 3.98764      3.63953  0.168899     3.47639  9.11568     308.117     6.66358     308.117     
1 1 1 26 10 20 o 22.4301 6.2659  1.34158      3.61613  8.08121      3.55476  31.0603     264.533     21.7636     264.533     
1 1 1 26 10 21 o 17.6648 5.71121 2.77785      3.50753  0.857278     3.4873   20.9133     249.835     7.91353     249.835     
1 1 1 26 10 22 o 17.7276 5.73869 -0.129481    3.87511  3.31905      3.43899  18.1203     30.034      10.6303     30.034      
1 1 1 26 10 23 o 16.3492 5.38165 3.04019      3.43143  -2.33078     3.38331  16.1826     318.329     4.13921     318.329     
1 1 1 26 10 24 o 15.1446 5.09578 1.84897      3.34256  -3.94657     3.38266  8.96075     216.401     3.13116     216.401     
1 1 1 26 10 25 o 15.4622 5.20213 -1.1417      3.4446   0.772009     3.37627  10.4267     311.626     8.18768     131.626     
1 1 1 26 10 26 o 17.2203 5.59005 1.76599      3.41346  2.03194      3.34217  14.833      68.9032     6.69762     68.9032     
1 1 1 26 10 27 o 15.9767 5.31599 0.458865     3.40156  1.70161      3.34194  12.134      158.726     5.83645     158.726     
1 1 1 26 10 28 o 16.0228 5.30618 0.456614     3.41216  2.42461      3.22619  3.50992     130.912     2.22524     130.912     
1 1 1 26 10 29 o 17.4136 5.69749 3.60678      3.88007  2.38646      3.31907  20.4373     343.942     7.35956     343.942     
1 1 1 26 10 30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 11 0  o 16.0546 7.31934 2.30302      4.19092  2.30302      4.19092  14.8341     360         9.38024     360         
1 1 1 26 11 1  o 20.7374 6.50911 1.27893      4.82802  4.13857      3.83757  23.7708     105.396     3.10082     105.396     
1 1 1 26 11 2  o 21.153  6.5634  3.72106      4.44995  3.22971      3.77078  9.52224     358.514     7.43551     358.514     
1 1 1 26 11 3  o 21.5598 6.37344 -0.0247586   3.98731  6.3552       3.76663  29.6994     110.122     16.6446     110.122     
1 1 1 26 11 4  o 14.8179 5.0891  -4.64201     3.82575  -1.36467     3.577    14.5605     313.388     0.0295051   313.386     
1 1 1 26 11 5  o 17.3638 5.69143 -0.668199    3.69238  1.40044      3.61032  16.0693     206.038     5.22401     26.0376     
1 1 1 26 11 6  o 16.4379 5.48547 -4.94327     4.04556  1.7801       3.63311  19.1936     107.339     8.08768     107.339     
1 1 1 26 11 7  o 18.7886 6.06573 3.81839      4.07859  -1.22271     3.92075  24.1939     105.517     12.7656     105.517     
1 1 1 26 11 8  o 17.5878 5.76667 0.911465     3.76777  0.472156     3.67985  15.8976     16.3155     6.66037     196.315     
1 1 1 26 11 9  o 25.8843 6.78992 3.05701      4.12054  9.72052      3.92061  36.2445     298.993     15.149      298.993     
1 1 1 26 11 10 o 21.0742 6.45992 3.29188      3.8799   4.28402      3.88221  20.918      33.5523     5.05808     213.552     
1 1 1 26 11 11 o 15.5563 5.3286  -1.09984     3.77238  -3.13297     4.17486  17.0864     232.764     8.08328     232.764     
1 1 1 26 11 12 o 18.4842 6.02436 0.150468     3.81978  3.05616      4.14651  17.6924     142.836     4.65341     322.836     
1 1 1 26 11 13 o 16.5911 5.52335 2.05387      3.70154  -2.93851     3.7697   17.6718     286.481     1.56672     286.481     
1 1 1 26 11 14 o 15.1472 5.17311 -1.98818     3.8261   -1.34414     3.47903  13.1885     311.309     7.226       311.309     
1 1 1 26 11 15 o 17.0888 5.56881 -2.1783      3.55605  3.10462      3.51476  19.8783     222.459     7.87122     222.459     
1 1 1 26 11 16 f 21.5749 6.36742 -0.0554145   4.13266  7.58275      3.83004  11.8276     285.284     0           0           
1 1 1 26 11 17 o 25.3029 6.69959 11.5932      4.20815  1.56863      3.99837  28.5236     167.886     0.299914    167.886     
1 1 1 26 11 18 o 18.7525 6.03721 1.86698      3.65429  3.42157      3.99966  22.3447     342.998     7.20849     342.998     
1 1 1 26 11 19 o 18.7548 5.94322 3.94735      3.66673  1.57694      3.45862  6.4764      14.8144     4.82141     14.8144     
1 1 1 26 11 20 o 14.3081 4.9242  -1.87004     3.51241  -1.98352     3.43118  8.95405     129.983     4.57391     129.983     
1 1 1 26 11 21 o 15.4773 5.2115  1.33739      3.44245  -2.33899     3.49557  10.1452     120.08      5.12484     120.08      
1 1 1 26 11 22 o 15.9505 5.32082 1.53308      3.42108  -1.16578     3.45818  6.74478     304.468     3.40511     304.468     
1 1 1 26 11 23 o 16.0502 5.33857 1.04286      3.39334  -0.085836    3.38656  10.3369     69.3608     3.77927     69.3608     
1 1 1 26 11 24 o 18.1947 5.79952 1.96752      3.45423  3.24915      3.43546  5.73101     357.977     3.41933     357.977     
1 1 1 26 11 25 o 17.3185 5.59118 3.7606       3.42289  0.0756453    3.34436  17.341      262.68      4.31723     262.68      
1 1 1 26 11 26 o 16.5159 5.43936 1.16474      3.42502  2.38796      3.34335  10.758      313.785     6.15218     313.785     
1 1 1 26 11 27 o 16.4621 5.41432 0.570293     3.43067  3.17577      3.31438  17.189      95.0785     2.71846     95.0785     
1 1 1 26 11 28 o 15.605  5.20975 0.385827     3.32734  1.80383      3.25533  15.7596     87.7681     9.01696     87.7681     
1 1 1 26 11 29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 12 0  o 16.8537 7.36415 3.15702      3.76551  3.15702      3.76551  24.7585     180         11.8245     180         
1 1 1 26 12 1  o 16.0702 5.4066  -3.74948     3.76515  1.08091      3.71293  7.10429     320.813     4.97232     320.813     
1 1 1 26 12 2  o 16.0341 5.4267  0.0651955    3.74402  -2.85402     3.95895  18.6117     214.625     8.78211     214.625     
1 1 1 26 12 3  o 15.4479 5.26234 0.749018     3.64099  -7.26052     4.27645  17.482      347.675     6.30405     347.675     
1 1 1 26 12 4  o 18.8521 6.08654 -1.02045     3.73179  4.30919      4.22918  24.1068     32.7909     14.0272     32.7909     
1 1 1 26 12 5  o 21.0084 6.4077  6.23748      4.0795   0.826369     3.72189  28.9146     26.4717     16.5642     26.4717     
1 1 1 26 12 6  o 18.0293 5.97853 0.719437     4.33361  0.952437     4.05084  9.97707     264.184     20.3121     84.184      
1 1 1 26 12 7  o 26.3889 6.796   10.4826      4.01156  3.3524       3.8937   40.4387     169.787     24.9369     169.787     
1 1 1 26 12 8  o 20.7498 6.06857 8.06125      3.909    -3.82734     3.6344   28.3464     93.8621     14.7739     93.8621     
1 1 1 26 12 9  o 20.2055 6.21427 0.282317     3.76004  5.60645      3.81549  24.4532     110.571     6.27914     110.571     
1 1 1 26 12 10 o 15.8642 5.34322 0.273956     3.6518   -1.77222     3.55687  15.4444     351.836     8.71366     351.836     
1 1 1 26 12 11 o 13.8311 4.84527 -4.17072     4.02069  -4.48942     3.70192  12.4695     255.61      4.73921     255.61      
1 1 1 26 12 12 o 17.0187 5.6795  -3.44891     4.45781  2.41795      3.77468  18.5933     267.657     9.94239     267.657     
1 1 1 26 12 13 o 18.3126 5.97194 2.31934      3.90018  1.36607      3.94359  16.4309     38.0259     11.1165     38.0259     
1 1 1 26 12 14 o 19.4689 6.06961 -0.313009    3.79953  5.42488      3.73051  23.7443     43.2275     8.03111     43.2275     
1 1 1 26 12 15 o 15.5213 5.30625 -2.77179     3.81255  0.0991678    3.91602  15.6771     24.393      7.1689      24.393      
1 1 1 26 12 16 o 17.3102 5.76671 -0.302461    4.1154   2.17377      3.92083  18.3698     95.9591     10.542      95.9591     
1 1 1 26 12 17 o 25.3804 6.93621 11.3867      4.31448  3.70857      4.08066  30.0032     22.0483     3.91375     22.0483     
1 1 1 26 12 18 o 17.7772 5.81741 1.33988      3.63332  2.41686      3.88385  18.3362     166.204     10.8667     166.204     
1 1 1 26 12 19 o 17.8047 5.84369 2.83087      4.06567  1.15399      3.58515  12.4626     109.688     7.78708     109.688     
1 1 1 26 12 20 o 15.0192 5.10203 0.289651     3.471    -2.06444     3.42022  12.1731     314.566     2.63757     314.566     
1 1 1 26 12 21 o 19.8288 6.04759 -0.376475    4.08663  6.14511      3.48944  17.7196     207.865     10.5176     207.865     
1 1 1 26 12 22 o 20.9666 5.99044 7.98407      3.49396  -0.897853    3.57606  24.0301     119.275     12.0895     119.275     
1 1 1 26 12 23 o 16.1142 5.36832 0.352933     3.5496   1.09412      3.36201  12.2066     115.635     4.66134     115.635     
1 1 1 26 12 24 o 14.6767 5.04282 -0.894532    3.36653  -0.717657    3.8276   11.3139     1.39572     4.52761     181.396     
1 1 1 26 12 25 o 15.1957 5.14021 1.16664      3.46339  -0.156947    3.34683  14.4259     337.874     4.10223     337.874     
1 1 1 26 12 26 o 16.154  5.36095 0.668672     3.46845  2.59799      3.34832  16.5639     43.747      1.47384     43.747      
1 1 1 26 12 27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 12 28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 13 0  o 18.2938 7.72591 4.1865       3.85258  4.1865       3.85258  2.82609     180         2.17521     180         
1 1 1 26 13 1  o 17.2282 5.72836 0.396631     4.04873  0.472034     3.73607  19.7812     186.492     5.84286     186.492     
1 1 1 26 13 2  o 18.6028 5.98729 -1.14364     4.07507  3.96214      3.81119  17.9256     186.238     4.09475     6.23769     
1 1 1 26 13 3  o 23.4741 6.8449  5.18555      3.9305   6.43763      4.08481  24.3702     130.607     3.38611     310.607     
1 1 1 26 13 4  o 18.197  5.93349 -1.80828     4.10446  3.735        3.94232  21.5435     72.573      12.3504     72.573      
1 1 1 26 13 5  o 20.232  6.36573 3.56151      3.88578  3.28316      4.11     14.5853     238.997     15.7927     58.9966     
1 1 1 26 13 6  o 18.2832 5.91044 4.63612      3.99962  -2.216       3.74803  16.4359     266.474     11.2816     266.474     
1 1 1 26 13 7  o 22.799  6.66267 6.02596      3.81716  4.74551      3.82181  30.4378     261.038     13.4126     261.038     
1 1 1 26 13 8  o 17.9829 5.86416 -2.57692     3.84974  4.38231      4.01301  19.6932     40.5803     2.81197     40.5803     
1 1 1 26 13 9  o 17.3572 5.71469 3.20829      3.66749  -3.51627     4.37596  19.6307     8.10767     5.5814      8.10767     
1 1 1 26 13 10 o 19.3178 6.22138 0.924536     4.21095  4.29067      4.08785  19.2082     25.059      13.1825     25.059      
1 1 1 26 13 11 o 23.1716 6.66294 3.57038      3.97138  7.66084      3.833    18.0897     355.439     15.8843     175.439     
1 1 1 26 13 12 o 15.9766 5.42294 1.20833      3.96576  -2.76047     3.78266  5.20859     35.9115     3.38868     35.9115     
1 1 1 26 13 13 o 15.4855 5.29018 0.212027     3.83968  -2.604       3.82786  16.1837     89.8536     5.49474     89.8536     
1 1 1 26 13 14 o 22.3806 6.4319  2.45528      3.81557  7.72899      3.66834  27.6202     174.182     7.5482      174.182     
1 1 1 26 13 15 o 16.538  5.52354 -1.4739      4.02743  1.85725      3.5562   18.1874     97.2973     8.04735     97.2973     
1 1 1 26 13 16 o 16.1644 5.49326 1.63187      4.0839   -2.47244     3.9268   13.4839     21.5068     7.1152      21.5068     
1 1 1 26 13 17 o 19.9194 6.35683 2.51982      4.14082  5.35781      4.20753  16.5156     192.125     10.9915     192.125     
1 1 1 26 13 18 o 18.296  5.95026 -3.11179     4.1522   5.79704      4.11757  17.4926     321.442     8.49687     321.442     
1 1 1 26 13 19 o 17.083  5.70332 1.69383      4.02933  0.535261     3.8192   4.66129     154.851     2.42515     154.851     
1 1 1 26 13 20 o 20.1811 6.30744 5.36811      3.82143  3.04539      4.01439  13.8331     226.263     8.59947     226.263     
1 1 1 26 13 21 o 13.744  4.76453 -5.85222     3.62963  -0.187545    3.37803  8.97327     102.22      5.08036     282.22      
1 1 1 26 13 22 o 16.499  5.4742  2.03226      3.5301   0.812501     3.5232   15.4536     68.2879     0.913495    68.2879     
1 1 1 26 13 23 o 15.3603 5.18463 0.653994     3.47014  0.600795     3.38153  9.67742     216.448     4.95854     216.448     
1 1 1 26 13 24 o 15.4834 5.1662  3.56392      3.35122  -2.78105     3.33818  15.814      145.497     3.63962     145.497     
1 1 1 26 13 25 o ?       ?       ?            ?        ?            ?        5.41602     188.534     0           0           
1 1 1 26 13 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 14 0  o 11.8946 5.84367 -1.05085     3.76914  -1.05085     3.76914  6.5325      2.94979e-05 2.29305     2.94979e-05 
1 1 1 26 14 1  o 22.6923 6.62941 7.09346      3.85759  3.45001      3.92243  31.3395     267.581     18.5506     267.581     
1 1 1 26 14 2  o 16.1824 5.48659 -1.38356     3.78087  0.174854     4.05887  16.8536     222.327     8.08118     222.327     
1 1 1 26 14 3  o 20.1023 6.19084 0.469654     3.82409  5.75354      3.7598   17.9258     314.543     7.89539     134.543     
1 1 1 26 14 4  o 17.4442 5.83007 1.22089      3.84915  0.169936     4.4682   18.981      158.335     3.52622     158.335     
1 1 1 26 14 5  o 19.2663 6.12358 4.14465      3.87184  1.44938      3.79143  23.7992     31.1705     10.8431     31.1705     
1 1 1 26 14 6  o 20.5339 6.26248 6.63838      3.87863  0.297261     3.81703  16.4045     353.178     12.362      173.178     
1 1 1 26 14 7  o 17.7123 5.71887 -4.09976     3.8059   4.89656      3.77032  19.8104     269.83      11.3401     269.83      
1 1 1 26 14 8  o 16.8178 5.53102 -5.20736     3.80972  4.06852      3.70828  16.7203     331.763     9.7824      331.763     
1 1 1 26 14 9  o 16.9731 5.60692 3.50489      3.79885  -2.57731     3.67581  14.2481     168.481     9.06295     168.481     
1 1 1 26 14 10 o 18.8459 6.02633 3.9967       3.79569  1.52148      3.74986  22.8859     301.622     9.92658     301.622     
1 1 1 26 14 11 o 15.0444 5.14525 -4.44928     3.76522  0.844253     3.65141  6.97814     303.721     4.18509     303.721     
1 1 1 26 14 12 o 19.3325 6.17262 1.62194      3.99472  4.70871      3.94366  20.7779     94.0902     1.62401     94.0902     
1 1 1 26 14 13 o 13.6088 4.77335 -4.62589     3.86278  -3.35201     3.75368  9.98333     291.588     2.84826     291.588     
1 1 1 26 14 14 o 18.3126 6.06918 1.96153      4.2409   2.68859      4.36997  19.3006     280.919     4.10022     280.919     
1 1 1 26 14 15 o 17.5827 5.87297 -4.62275     4.76841  4.6383       4.24346  15.1022     19.6748     4.54907     199.675     
1 1 1 26 14 16 o 15.0258 5.2029  -3.59547     4.24499  -0.808288    3.93114  9.0565      266.304     2.41434     266.304     
1 1 1 26 14 17 o 16.6865 5.62267 3.86038      4.1924   -4.10005     3.96628  12.5318     38.9337     3.71719     38.9337     
1 1 1 26 14 18 o 17.0335 5.64824 2.48164      3.66018  -0.0871701   3.93129  11.0511     308.525     4.99807     308.525     
1 1 1 26 14 19 o 16.2624 5.40008 -2.27094     3.56524  3.09964      3.535    13.8922     99.2305     4.26076     99.2305     
1 1 1 26 14 20 o 15.974  5.34485 -0.564263    3.53442  2.19307      3.50152  14.6412     106.424     3.78946     106.424     
1 1 1 26 14 21 o 15.5916 5.24109 -2.15524     3.50675  3.0632       3.51114  13.8629     216.809     5.71409     216.809     
1 1 1 26 14 22 o 15.7326 5.28795 1.9188       3.5457   0.401948     3.43039  15.8161     57.7583     2.4476      57.7583     
1 1 1 26 14 23 o 15.4899 5.29649 0.887941     3.92919  0.175571     3.76472  12.9285     280.582     7.76938     280.582     
1 1 1 26 14 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 15 0  o 14.2096 6.65436 1.59342      3.8197   1.59342      3.8197   11.3494     180         6.12224     180         
1 1 1 26 15 1  o 16.1745 5.48006 0.242422     4.01722  -0.590561    3.78342  14.8246     28.3042     8.29331     28.3042     
1 1 1 26 15 2  o 17.3876 5.76101 3.0783       3.89092  -1.13582     4.04041  15.6787     99.9701     9.90253     99.9701     
1 1 1 26 15 3  o 26.0854 6.957   10.5814      4.01253  5.20633      4.2502   34.7311     174.244     13.3937     174.244     
1 1 1 26 15 4  o 20.0326 6.3459  4.02456      4.18492  3.82576      3.89738  7.03789     25.2275     5.35028     25.2275     
1 1 1 26 15 5  o 20.8943 6.3552  1.8334       3.8946   6.65237      3.84312  26.8439     257.091     12.4989     257.091     
1 1 1 26 15 6  o 18.7981 6.00601 -0.954199    3.92408  5.41396      3.8987   21.6719     136.615     5.90997     136.615     
1 1 1 26 15 7  o 12.4342 4.41428 -9.40202     3.73991  -3.49023     3.63315  9.5479      248.274     1.19381     68.2738     
1 1 1 26 15 8  o 16.3937 5.50995 0.517975     3.80758  0.139056     3.76398  16.8753     12.7454     5.77265     12.7454     
1 1 1 26 15 9  o 17.5509 5.73646 4.20997      3.82094  -1.65898     3.71027  7.50303     142.165     4.87782     142.165     
1 1 1 26 15 10 o 17.3517 5.73266 1.66313      3.76458  1.35777      3.82248  10.5738     104.498     6.28515     104.498     
1 1 1 26 15 11 o 14.6385 5.05115 -1.28976     3.75122  -2.51652     3.68896  9.31365     93.9497     2.93017     93.9497     
1 1 1 26 15 12 o 16.5476 5.61752 -0.685189    4.52874  0.768045     3.86122  6.57358     167.71      3.31438     167.71      
1 1 1 26 15 13 o 17.279  5.7297  0.878341     3.84474  1.87146      3.8566   14.9352     255.891     4.932       255.891     
1 1 1 26 15 14 o 22.0792 6.42037 8.33541      3.82348  1.89234      3.79915  25.5667     73.7445     11.8607     73.7445     
1 1 1 26 15 15 o 13.0914 4.65055 -5.20266     4.57362  -5.50321     3.48069  6.73353     119.307     1.89342     299.307     
1 1 1 26 15 16 o 15.2623 5.21753 -3.75366     4.14243  1.07541      3.58986  8.85531     66.2503     3.03135     66.2503     
1 1 1 26 15 17 o 20.9736 6.58382 5.71393      4.34867  5.94674      4.15511  24.0831     142.07      12.5554     142.07      
1 1 1 26 15 18 o 14.5873 5.08436 -3.0861      4.30674  -0.512151    3.92504  11.8105     154.288     2.12737     334.288     
1 1 1 26 15 19 o 16.0697 5.44272 1.80362      4.1496   0.866439     3.52277  13.0849     72.5538     6.85146     72.5538     
1 1 1 26 15 20 o 18.366  5.92062 3.47412      3.79597  4.32653      3.63507  21.6431     253.187     10.3174     253.187     
1 1 1 26 15 21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 15 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 16 0  o 13.4564 6.51165 0.542902     4.2718   0.542902     4.2718   7.39898     180         2.22014     180         
1 1 1 26 16 1  o 17.0971 5.69168 0.675599     3.88988  1.63985      3.84457  16.3304     99.1971     6.64554     99.1971     
1 1 1 26 16 2  o 15.0647 5.17213 2.42868      3.85427  -9.40669     4.10001  6.98471     302.863     3.13398     302.863     
1 1 1 26 16 3  o 18.6962 6.06596 1.60982      4.05021  3.87056      3.95803  16.5592     14.4804     9.49564     14.4804     
1 1 1 26 16 4  o 19.6626 6.24855 3.58155      3.97359  3.89746      3.92956  20.6657     290.075     3.11993     290.075     
1 1 1 26 16 5  o 16.833  5.61105 -1.32857     3.86026  2.63845      3.81466  14.9538     32.8775     5.51518     32.8775     
1 1 1 26 16 6  o 18.7702 6.02597 4.93974      3.92593  0.350044     3.83281  14.3487     29.0174     8.3107      29.0174     
1 1 1 26 16 7  o 16.5495 5.55297 1.18926      3.87871  -0.0930251   3.74626  14.4897     35.4033     1.5542      35.4033     
1 1 1 26 16 8  o 16.2503 5.45927 2.61698      3.82333  -2.87191     3.7289   10.5075     108.485     3.87963     108.485     
1 1 1 26 16 9  o 13.8544 4.83973 -0.653446    3.78311  -6.65214     3.72149  7.80024     276.302     1.28453     96.3023     
1 1 1 26 16 10 o 17.1105 5.68741 1.4056       3.93103  1.26615      3.72879  8.10694     268.144     3.73749     268.144     
1 1 1 26 16 11 o 16.0364 5.40236 1.77602      3.72595  -1.60109     3.70076  12.7488     300.662     1.79235     300.662     
1 1 1 26 16 12 o 16.991  5.71323 2.81361      4.01634  -1.18669     4.32448  14.8623     118.696     0.597039    298.696     
1 1 1 26 16 13 f 16.8703 5.62194 -2.74042     3.96706  4.09964      3.90889  5.77181     97.1149     0           0           
1 1 1 26 16 14 o 15.7211 5.32584 2.61256      3.81249  -2.25055     3.59756  13.836      149.815     0.823825    149.815     
1 1 1 26 16 15 o 12.6641 4.50549 -3.12958     4.11137  -6.51114     3.5283   5.85424     55.6223     1.11776     55.6224     
1 1 1 26 16 16 o 15.5849 5.35311 -4.75288     4.18944  3.65965      4.10963  14.8861     235.806     3.55511     235.806     
1 1 1 26 16 17 o 16.1933 5.46049 3.60195      3.76221  -1.54197     4.05673  15.5938     334.381     0.13668     154.381     
1 1 1 26 16 18 o 16.1789 5.46186 -3.05099     3.65773  4.87126      4.03274  17.4064     322.564     8.56248     322.564     
1 1 1 26 16 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 16 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 17 0  o 27.1786 8.93462 9.1213       4.14776  9.1213       4.14776  43.1743     1.77623e-05 24.7233     1.77623e-05 
1 1 1 26 17 1  o 15.9377 5.44453 -4.58675     3.91217  2.7894       4.20489  7.92789     229.448     2.79211     229.448     
1 1 1 26 17 2  o 16.7164 5.60675 0.51643      3.8497   1.24369      3.91086  13.2164     107.342     3.57931     107.342     
1 1 1 26 17 3  o 14.9701 5.15983 1.08912      3.89245  -5.14722     3.89717  8.17534     139.888     1.78794     139.888     
1 1 1 26 17 4  o 22.0598 6.59435 8.24727      4.05078  3.02425      4.0484   9.90841     259.946     7.06672     259.946     
1 1 1 26 17 5  o 18.4489 5.99706 3.82846      3.94649  1.77904      3.89566  14.7        13.6051     7.47302     13.6051     
1 1 1 26 17 6  o 17.4677 5.77591 2.33046      3.90944  1.4532       3.81711  4.31798     177.114     2.42289     177.114     
1 1 1 26 17 7  o 20.003  6.28541 2.98654      3.91913  5.68881      3.93179  19.4541     210.991     0.598166    30.9913     
1 1 1 26 17 8  o 17.0123 5.66788 2.21408      3.86981  1.0165       3.82224  11.1063     261.892     5.64558     261.892     
1 1 1 26 17 9  o 15.8143 5.38664 -0.327322    4.08114  0.801689     3.74039  8.57423     312.494     4.02807     312.494     
1 1 1 26 17 10 o 14.7723 5.10281 -1.28946     3.94315  -0.647261    3.72438  9.24665     56.7141     3.50498     56.7141     
1 1 1 26 17 11 o 16.6708 5.58102 1.35332      3.89204  2.37822      3.75097  13.553      133.665     7.00852     133.665     
1 1 1 26 17 12 o 12.6666 4.49404 -2.81785     3.83434  -6.33872     3.71456  3.50503     103.608     1.17792     103.608     
1 1 1 26 17 13 o 21.4374 6.5663  5.5475       4.14041  7.96728      3.9903   20.7139     234.098     3.70975     54.0981     
1 1 1 26 17 14 o 13.8373 4.81696 -2.31222     3.69641  -1.09693     3.56231  12.1425     156.698     4.36748     156.698     
1 1 1 26 17 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 17 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 17 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 18 0  o 15.7469 7.40105 3.69587      4.79621  3.69587      4.79621  6.95706     360         3.87096     360         
1 1 1 26 18 1  o 19.76   6.28828 8.1785       4.2912   1.55646      4.02306  21.1445     114.463     12.1775     114.463     
1 1 1 26 18 2  o 29.4153 7.32879 12.6753      4.13345  10.934       4.19361  39.0061     218.412     15.7866     218.412     
1 1 1 26 18 3  o 16.4999 5.54062 -2.13154     3.88285  4.46473      3.94183  15.7172     331.606     1.56939     331.606     
1 1 1 26 18 4  o 12.7363 4.5203  -4.61485     3.95947  -4.70376     3.78792  8.75438     277.335     0.0974523   97.3345     
1 1 1 26 18 5  o 17.097  5.70226 3.76271      3.96309  1.12836      3.88704  17.4325     338.933     7.15674     338.933     
1 1 1 26 18 6  o 14.4358 5.00471 -2.24997     3.8374   0.0138926    3.75275  5.09469     175.57      2.61213     175.57      
1 1 1 26 18 7  o 13.9698 4.87185 -4.48746     3.85689  0.28037      3.72441  11.8936     213.783     0.44528     33.7834     
1 1 1 26 18 8  o 15.2053 5.26808 -1.36832     4.73856  0.516065     3.77195  10.3574     290.841     5.67266     290.841     
1 1 1 26 18 9  o 18.0208 5.94052 3.58933      3.88636  3.80157      4.19286  20.6854     83.5338     8.92635     83.5338     
1 1 1 26 18 10 o 15.0992 5.18532 0.603415     3.84304  -0.595403    3.7413   8.32082     98.978      5.19927     98.978      
1 1 1 26 18 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 18 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 18 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 4  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 26 19 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 0  1  o 48.7253 5.98064 15.936       4.08256  15.936       4.08256  73.32       270         22.0285     270         
1 1 1 27 0  2  o 34.7039 8.79876 10.7791      4.29758  10.7791      4.29758  62.7986     360         36.8709     360         
1 1 1 27 0  3  o 18.6928 8.04189 3.82884      4.33422  3.82884      4.33422  2.78593     90          42.2136     270         
1 1 1 27 0  4  o 14.0024 6.68444 0.0260146    4.19629  0.0260146    4.19629  14.1427     180         5.39713     8.67375e-06 
1 1 1 27 0  5  o 13.3976 6.60229 -1.88893     4.91111  -1.88893     4.91111  4.7976      90.0001     2.24947     90.0001     
1 1 1 27 0  6  o 13.2547 6.43585 -0.888607    4.25353  -0.888607    4.25353  12.8203     180         5.23505     8.65102e-06 
1 1 1 27 0  7  o 17.8583 7.89339 3.32235      4.45261  3.32235      4.45261  24.0686     270         4.56812     270         
1 1 1 27 0  8  o 23.7362 8.9719  6.79736      4.47644  6.79736      4.47644  40.1896     180         21.5505     180         
1 1 1 27 0  9  o 25.0602 8.79162 7.08482      4.09392  7.08482      4.09392  34.2596     90          4.68458     90          
1 1 1 27 0  10 o 16.1741 7.24363 2.38466      3.88696  2.38466      3.88696  17.4181     180         10.0819     180         
1 1 1 27 0  11 o 12.9016 6.16652 -0.11603     3.5925   -0.11603     3.5925   13.787      90          1.60366     90          
1 1 1 27 0  12 o 11.2642 5.57451 -2.03545     3.60657  -2.03545     3.60657  8.67595     5.74259e-06 8.43724     180         
1 1 1 27 0  13 o 21.1198 8.23889 5.3706       3.89535  5.3706       3.89535  36.5581     270         23.3283     270         
1 1 1 27 0  14 o 22.9664 8.56812 6.40132      4.03804  6.40132      4.03804  41.5877     360         27.0834     360         
1 1 1 27 0  15 o 14.7443 6.9003  1.33723      4.09647  1.33723      4.09647  19.8194     270         10.919      270         
1 1 1 27 0  16 o 18.2813 7.7898  4.07366      3.98588  4.07366      3.98588  14.4278     180         11.3051     180         
1 1 1 27 0  17 o 13.3974 6.38996 0.400059     3.81832  0.400059     3.81832  6.07577     270         3.79676     270         
1 1 1 27 0  18 o 13.9366 6.57529 0.962784     3.84778  0.962784     3.84778  14.3955     180         8.2923      180         
1 1 1 27 0  19 o 12.3577 5.9996  -0.453873    3.69396  -0.453873    3.69396  2.71228     89.9999     1.43883     89.9999     
1 1 1 27 0  20 o 9.29505 4.74533 -4.58119     3.48176  -4.58119     3.48176  6.05523     180         5.94272     8.65143e-06 
1 1 1 27 0  21 f 14.797  6.9007  1.81116      4.04015  1.81116      4.04015  3.53659     90          0           0           
1 1 1 27 0  22 o 8.51681 4.38341 -5.52716     3.30661  -5.52716     3.30661  2.9028      180         1.42665     8.65141e-06 
1 1 1 27 0  23 o 17.5759 7.43273 4.00338      3.57495  4.00338      3.57495  26.8715     90          12.3891     90          
1 1 1 27 0  24 o 11.0497 5.45826 -1.31418     3.41256  -1.31418     3.41256  1.45994     360         0.459059    360         
1 1 1 27 0  25 o 12.6135 6.02919 0.474302     3.43537  0.474302     3.43537  11.9771     90          1.68598     270         
1 1 1 27 0  26 o 22.0663 8.20095 6.32077      3.68832  6.32077      3.68832  32.1281     1.82642e-06 10.0697     1.82642e-06 
1 1 1 27 0  27 o 11.9929 5.8047  -0.0796594   3.39865  -0.0796594   3.39865  7.50526     90          6.66076     270         
1 1 1 27 0  28 o 10.6197 5.28688 -1.67836     3.39179  -1.67836     3.39179  5.50033     180         6.2898      8.66314e-06 
1 1 1 27 0  29 o 15.1376 6.83023 2.94159      3.53267  2.94159      3.53267  11.1974     90          6.1785      90          
1 1 1 27 0  30 o 14.9513 6.95167 3.02075      4.05254  3.02075      4.05254  18.4004     180         8.57962     180         
1 1 1 27 0  31 o 10.8867 5.46989 -1.85995     3.92143  -1.85995     3.92143  10.8709     90          1.23466     270         
1 1 1 27 0  32 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 1  0  o 12.0236 5.92507 -1.98262     3.95463  -1.98262     3.95463  7.25515     270         2.25782     270         
1 1 1 27 1  1  o 31.1347 7.54014 11.0435      4.55493  7.33123      4.28466  26.9129     1.25682     22.5739     181.257     
1 1 1 27 1  2  o 20.7366 6.47925 4.40564      4.28039  0.0158161    4.00863  27.9936     286.067     16.3477     286.067     
1 1 1 27 1  3  o 20.077  6.31218 -1.43551     4.29343  4.05515      3.98048  18.7856     190.582     13.4416     190.582     
1 1 1 27 1  4  o 18.1646 6.10169 -0.10015     4.84075  -1.66966     4.38537  16.6837     194.31      7.50177     14.3097     
1 1 1 27 1  5  o 30.6976 7.52485 14.1347      5.041    4.04914      4.65237  46.1335     173.159     20.1751     173.159     
1 1 1 27 1  6  o 18.9402 6.39222 1.49676      5.41131  -3.08582     4.97564  23.2363     216.338     8.76464     216.338     
1 1 1 27 1  7  o 21.3553 6.94614 4.09003      5.50451  0.933131     4.98004  19.4018     221.894     10.582      41.8944     
1 1 1 27 1  8  o 19.3848 6.45855 0.884347     5.59762  0.175106     4.35126  23.0727     176.246     12.7511     176.246     
1 1 1 27 1  9  o 21.6836 6.7529  -0.180875    4.78264  5.77583      4.47286  24.9348     215.609     0.996358    215.609     
1 1 1 27 1  10 o 26.0014 7.13095 5.16499      4.04621  7.78777      4.19884  28.0393     130.394     5.62707     310.394     
1 1 1 27 1  11 o 18.412  5.98606 1.05219      3.90691  0.721482     3.87743  18.5195     74.3266     12.0256     74.3266     
1 1 1 27 1  12 o 15.2566 5.213   -4.6993      3.78388  -0.774313    3.71887  13.7771     90.149      5.42701     270.149     
1 1 1 27 1  13 o 18.4299 5.99751 2.35292      3.86504  -0.743303    4.12433  22.1538     351.582     4.29868     351.582     
1 1 1 27 1  14 o 17.3787 5.75314 -0.484677    4.04059  0.722194     3.70428  21.3667     229.594     5.98477     229.594     
1 1 1 27 1  15 o 17.6133 5.78319 0.169594     3.7877   1.05469      3.75391  20.0922     102.147     13.6052     102.147     
1 1 1 27 1  16 o 16.6807 5.58551 2.10158      3.88728  -4.71567     4.08412  19.6032     97.0721     3.01467     97.0721     
1 1 1 27 1  17 o 18.7352 6.03934 1.08543      3.84995  2.6147       3.87497  25.1007     44.7279     10.7978     44.7279     
1 1 1 27 1  18 o 22.4259 6.69576 5.34295      3.96795  4.65039      3.97367  29.1686     93.3309     7.30556     93.3309     
1 1 1 27 1  19 o 18.8533 5.89086 -3.92507     3.64018  6.11345      3.85929  25.013      268.805     15.4762     268.805     
1 1 1 27 1  20 o 18.2004 5.92417 -0.0186349   3.70707  3.36603      3.99015  22.4332     171.643     6.28951     171.643     
1 1 1 27 1  21 o 16.4051 5.47003 1.86218      3.67436  -2.00147     3.59923  19.6487     109.581     9.09066     109.581     
1 1 1 27 1  22 o 15.037  5.13661 -1.68466     3.5499   -1.04087     3.64556  13.4757     168.263     5.6167      348.263     
1 1 1 27 1  23 o 17.1588 5.63202 -0.469702    3.57841  2.7807       3.64026  21.3207     313.165     9.13208     313.165     
1 1 1 27 1  24 o 18.0704 5.82986 1.70002      3.64027  2.71948      3.57438  20.2102     179.253     1.33611     179.253     
1 1 1 27 1  25 o 13.8436 4.79513 -3.34362     3.34827  -1.59059     3.52584  10.6353     216.907     3.37272     216.907     
1 1 1 27 1  26 o 16.5462 5.39562 3.91961      3.43952  -3.72878     3.40368  10.2719     26.4214     5.49135     26.4214     
1 1 1 27 1  27 f 18.0987 5.87489 2.66468      3.54009  2.13126      3.95623  3.40864     198.606     0           0           
1 1 1 27 1  28 o 19.8321 6.24544 4.32647      3.62395  4.12527      4.12892  23.2572     347.28      6.28268     347.28      
1 1 1 27 1  29 o 15.0134 5.1334  -0.787688    3.35981  0.465582     3.83068  14.6714     251.63      2.13983     251.63      
1 1 1 27 1  30 o 16.9919 5.59262 2.81036      3.51565  2.19098      3.60454  11.9416     255.675     8.01538     255.675     
1 1 1 27 1  31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 1  32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 2  0  o 31.8054 10.4094 11.6688      5.62636  11.6688      5.62636  34.5624     90          12.1434     270         
1 1 1 27 2  1  o 18.439  6.17946 -1.63979     4.72762  0.133004     4.68418  22.1996     238.675     6.34627     238.675     
1 1 1 27 2  2  o 24.2037 7.10021 8.526        4.72073  0.11477      4.82072  33.994      16.4879     14.1243     16.4879     
1 1 1 27 2  3  o 21.9219 6.92104 0.527936     4.66409  5.42922      4.99906  22.8479     327.814     4.86367     147.814     
1 1 1 27 2  4  o 20.9688 6.7676  -1.73582     5.16222  4.76585      4.94314  15.7649     195.54      17.6465     15.5403     
1 1 1 27 2  5  o 23.5334 7.28232 0.421061     4.91647  8.27141      5.46933  29.323      64.986      5.37153     64.986      
1 1 1 27 2  6  o 18.3929 6.18841 0.976294     5.21514  -2.06696     4.24829  15.2264     9.11806     9.82693     9.11806     
1 1 1 27 2  7  o 21.1802 6.70807 5.49156      4.84956  -0.394982    4.33366  25.7499     320.236     4.84953     320.236     
1 1 1 27 2  8  f 21.3234 6.78744 -0.411715    4.96379  5.22877      4.75874  18.6255     236.516     0           0           
1 1 1 27 2  9  o 20.9    6.74491 2.68934      4.8265   2.40167      4.81513  23.5287     290.192     0.379882    290.191     
1 1 1 27 2  10 o 22.5394 7.05044 3.49128      4.93765  4.96317      4.76197  23.2373     151.981     5.6696      331.981     
1 1 1 27 2  11 o 17.3915 5.87527 -2.35813     4.21225  0.283063     4.59388  20.7515     103.366     8.82763     103.366     
1 1 1 27 2  12 o 19.4965 6.27766 3.93617      4.30156  -0.902603    4.17357  19.4666     36.332      5.58989     216.332     
1 1 1 27 2  13 o 16.7822 5.66365 1.50485      4.17609  -4.84928     4.17994  12.1221     215.907     8.17963     215.907     
1 1 1 27 2  14 o 22.1692 6.80276 5.06947      4.25502  3.81541      4.39459  27.6776     63.8939     4.6161      63.8939     
1 1 1 27 2  15 o 15.6211 5.36011 -0.737613    3.93936  -4.57733     4.24379  16.277      245.774     1.80986     65.774      
1 1 1 27 2  16 o 15.4436 5.24687 -4.07126     3.65367  0.306726     3.69492  15.4037     141.086     9.64499     141.086     
1 1 1 27 2  17 o 20.8428 6.36422 4.77307      3.6677   2.37469      3.95833  20.506      12.6563     7.71587     192.656     
1 1 1 27 2  18 o 16.6602 5.54081 0.204923     3.64865  0.0200895    3.63927  20.2447     141.028     11.1227     141.028     
1 1 1 27 2  19 o 19.3537 6.07087 3.63047      3.61702  1.88691      3.63739  24.8397     226.38      7.70597     226.38      
1 1 1 27 2  20 o 20.9541 6.37505 4.80823      3.64482  3.37838      3.86251  29.4095     258.836     14.8548     258.836     
1 1 1 27 2  21 o 19.5984 6.077   0.919473     3.50667  5.09952      3.70081  26.2547     107.762     16.3769     107.762     
1 1 1 27 2  22 o 18.2671 5.85859 0.599287     3.62914  3.61218      3.6176   20.2719     246.082     0.208773    246.082     
1 1 1 27 2  23 o 22.635  6.61554 6.69011      3.80986  4.73895      3.74766  25.2862     96.0756     1.70596     276.076     
1 1 1 27 2  24 o 17.8048 5.83813 -0.960482    3.60191  4.36434      4.0893   20.597      350.536     4.08156     350.536     
1 1 1 27 2  25 o 15.8489 5.30603 1.82879      3.54332  -1.84379     3.40148  16.076      57.7141     4.94134     57.714      
1 1 1 27 2  26 o 17.8941 5.7911  -0.629267    4.03188  3.84227      3.5299   19.164      195.852     4.65885     195.852     
1 1 1 27 2  27 o 15.3606 5.25424 -2.48974     3.55466  0.89565      3.97103  12.7326     250.07      2.45894     250.07      
1 1 1 27 2  28 o 16.7757 5.53382 1.18342      3.63853  1.76084      3.40442  17.3986     306.575     3.25247     306.575     
1 1 1 27 2  29 o 17.0187 5.58706 0.613656     3.7156   3.55679      3.46723  9.03952     38.4691     5.83842     38.4691     
1 1 1 27 2  30 o 14.8386 5.06544 0.438191     3.64615  -0.257124    3.31016  15.9526     307.136     4.93187     307.136     
1 1 1 27 2  31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 2  32 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 3  0  o 20.9079 9.22515 5.65064      6.05435  5.65064      6.05435  18.4663     90          16.3243     270         
1 1 1 27 3  1  o 21.9986 7.08426 1.27259      5.46172  4.48838      5.23299  25.5838     291.479     17.7609     291.479     
1 1 1 27 3  2  o 27.503  7.50319 -0.322695    5.28455  13.338       5.39062  32.0937     324.353     1.07638     144.353     
1 1 1 27 3  3  o 17.7812 6.06567 -0.699813    5.24633  -3.20742     4.62589  5.63712     148.96      3.77935     148.96      
1 1 1 27 3  4  o 23.4388 7.00172 8.00663      4.75323  0.210117     4.51614  32.5676     58.8938     14.0186     58.8938     
1 1 1 27 3  5  o 19.2439 6.24144 -2.31512     4.4125   3.34299      4.28881  21.17       149.247     0.0235038   149.248     
1 1 1 27 3  6  o 18.9934 6.10827 -4.16079     4.20906  4.19511      4.17743  23.6269     246.709     11.3465     246.709     
1 1 1 27 3  7  o 18.6317 6.19531 -0.993595    4.78095  0.932709     4.39329  19.6877     95.254      11.5697     95.254      
1 1 1 27 3  8  o 22.5139 6.92249 1.71355      5.00117  5.81832      4.36574  29.6635     172.066     10.1276     172.066     
1 1 1 27 3  9  o 21.1719 6.79607 4.98504      4.96531  0.4788       4.78974  28.2314     244.026     15.8311     244.026     
1 1 1 27 3  10 o 19.1168 6.30201 -1.28397     4.45599  2.83155      4.69188  20.6244     256.598     1.16742     76.598      
1 1 1 27 3  11 o 28.0099 6.79182 -2.53705     4.57247  14.9529      4.86981  42.2572     221.768     34.8839     221.768     
1 1 1 27 3  12 o 23.0331 7.31228 1.7037       4.11724  9.7177       6.40008  32.1079     70.7881     14.2955     70.7881     
1 1 1 27 3  13 o 19.5666 6.30452 2.68587      4.24278  1.55758      4.14288  26.7488     102.555     14.9726     102.555     
1 1 1 27 3  14 o 19.865  6.30856 1.82529      4.03172  3.29296      4.03233  23.057      299.472     0.866901    299.472     
1 1 1 27 3  15 o 18.1056 5.99827 2.57046      4.33591  -1.33675     4.11736  15.9192     160.317     11.6446     160.317     
1 1 1 27 3  16 o 19.1395 6.15585 1.20583      3.9234   3.07095      4.04324  26.2475     107.887     15.5302     107.887     
1 1 1 27 3  17 o 16.4979 5.57023 0.560139     3.94726  -2.08057     4.02659  18.2803     147.163     11.155      147.163     
1 1 1 27 3  18 o 17.0437 5.7414  -0.929631    4.49385  0.55441      3.89912  17.4719     47.2197     11.2521     47.2197     
1 1 1 27 3  19 o 17.6325 5.75689 0.996348     3.67067  1.60944      3.64277  17.1065     16.156      5.38449     196.156     
1 1 1 27 3  20 o 17.1714 5.62274 -1.5464      3.50342  2.99896      3.67755  18.7032     102.265     0.0397915   102.265     
1 1 1 27 3  21 o 18.1131 5.88757 0.447824     3.573    3.31537      3.95443  21.4541     228.102     3.94788     228.102     
1 1 1 27 3  22 o 32.738  7.00077 7.36079      3.7836   15.8798      4.38019  47.7792     168.059     17.5671     168.059     
1 1 1 27 3  23 o 21.2527 6.13257 -1.89617     3.80853  8.61265      3.77832  19.7809     249.693     15.6385     249.693     
1 1 1 27 3  24 o 17.3512 5.68083 2.96671      3.66314  -0.0283738   3.59928  18.6143     217.339     10.324      217.339     
1 1 1 27 3  25 o 18.0341 5.77573 6.283        3.93409  -4.17602     3.58279  15.0335     25.8941     9.10123     25.8941     
1 1 1 27 3  26 o 15.3737 5.22909 -1.34153     3.75159  -0.0680066   3.54847  4.34454     104.063     1.89961     104.063     
1 1 1 27 3  27 o 14.1156 4.86942 -0.870075    3.54156  -2.90674     3.33339  9.91331     83.4112     1.58435     83.4112     
1 1 1 27 3  28 o 15.0526 5.17601 -1.07592     4.12858  -0.53148     3.52668  13.9012     187.109     0.18493     187.109     
1 1 1 27 3  29 o 12.7396 4.49132 -2.2454      3.67371  -4.66267     3.29091  9.20862     49.9063     2.39679     49.9063     
1 1 1 27 3  30 f 15.6555 5.25089 0.61042      3.39819  1.6836       3.41537  7.88991     176.914     0           0           
1 1 1 27 3  31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 4  0  o 30.0313 9.35183 9.51085      4.53128  9.51085      4.53128  34.1826     90          8.16116     270         
1 1 1 27 4  1  o 18.6683 6.16316 0.728302     4.35441  -0.210785    4.3955   7.4932      79.7611     5.21396     79.7611     
1 1 1 27 4  2  o 30.4931 6.84677 14.5306      4.5141   0.862992     4.92295  51.9438     112.88      40.6027     112.88      
1 1 1 27 4  3  f 26.3407 7.46332 8.21789      4.61624  5.35983      4.74979  9.80669     180.937     0           0           
1 1 1 27 4  4  o 17.0873 5.71162 0.741472     3.99405  -3.08642     4.03415  16.6801     241.002     9.1156      241.002     
1 1 1 27 4  5  o 19.5815 6.20626 2.51107      3.79866  0.996459     3.99132  20.721      158.582     2.16738     338.582     
1 1 1 27 4  6  f 18.8557 6.02385 1.90071      3.72717  0.769943     3.74484  15.5035     190.605     0           0           
1 1 1 27 4  7  o 15.2624 5.19945 -5.28892     3.73707  -0.358794    3.64763  15.8551     335.486     3.63393     335.486     
1 1 1 27 4  8  o 18.4148 5.95733 -1.87351     4.10248  2.74781      3.78115  20.1138     161.67      0.0693372   341.669     
1 1 1 27 4  9  o 17.0773 5.68642 1.66362      4.07317  -3.00394     3.67344  17.0054     155.265     10.1516     155.265     
1 1 1 27 4  10 o 18.8177 6.01041 -3.90988     4.11618  4.44741      3.9593   24.5367     231.437     12.6646     231.437     
1 1 1 27 4  11 o 20.2444 6.2405  -2.80206     4.10218  6.05912      4.03182  24.4916     71.7833     3.48921     71.7833     
1 1 1 27 4  12 o 16.8761 5.70333 -2.47979     3.7441   0.865438     4.48177  16.1843     85.4296     5.42027     265.43      
1 1 1 27 4  13 o 22.8991 6.7556  4.21611      3.73908  5.73008      4.18238  29.0674     176.88      5.2832      176.88      
1 1 1 27 4  14 o 16.59   5.59793 -0.189014    3.89085  -1.53539     4.11439  16.7847     182.033     3.62048     2.03334     
1 1 1 27 4  15 o 19.7676 6.29825 2.41255      3.98097  2.99253      4.10369  27.3467     86.3481     17.2761     86.3481     
1 1 1 27 4  16 o 17.3243 5.76873 1.53056      3.94707  -1.13809     4.07087  18.5127     101.97      1.44547     281.97      
1 1 1 27 4  17 o 15.2591 5.25242 -1.32699     3.94636  -3.3915      3.98103  16.215      224.483     8.68024     224.483     
1 1 1 27 4  18 o 15.6066 5.31399 -6.54531     3.98696  1.68729      3.85756  17.7424     198.035     8.38459     198.035     
1 1 1 27 4  19 o 17.901  5.92042 2.53272      4.14368  -0.0744812   4.00975  22.0077     281.637     6.84909     281.637     
1 1 1 27 4  20 o 15.8572 5.42924 -2.28507     3.88233  -0.177063    4.2342   15.6133     121.367     8.99658     121.367     
1 1 1 27 4  21 o 15.8615 5.45192 -0.841303    4.36632  -1.68447     4.05471  18.2433     260.319     6.02362     260.319     
1 1 1 27 4  22 o 14.8095 5.065   -1.98514     3.55868  -0.823445    3.50446  13.5732     336.2       7.38505     336.2       
1 1 1 27 4  23 o 15.6696 5.28106 -0.823966    3.64704  0.290093     3.43433  16.3424     211.143     7.96644     211.143     
1 1 1 27 4  24 o 18.2811 5.85392 3.73745      3.5981   1.11988      3.56993  18.7003     87.2065     1.8604      267.207     
1 1 1 27 4  25 o 14.3927 4.96399 -7.24223     4.00426  0.615482     3.51779  5.64488     216.111     2.15061     216.111     
1 1 1 27 4  26 o 15.81   5.33076 -2.22208     3.9282   1.44301      3.47949  5.34714     183.316     2.43716     183.316     
1 1 1 27 4  27 o 18.6742 6.00854 1.9347       3.56743  4.44234      3.99924  17.2593     202.037     10.0634     202.037     
1 1 1 27 4  28 o 16.4374 5.47605 2.39117      3.5455   0.424193     3.68448  14.6992     185.461     7.68843     185.461     
1 1 1 27 4  29 o 17.1469 5.60767 1.47956      3.48392  3.68589      3.53346  18.2946     31.4266     0.42625     31.4264     
1 1 1 27 4  30 o 15.0806 5.10548 1.60818      3.3471   -1.02057     3.47575  9.97362     151.736     6.52774     151.736     
1 1 1 27 4  31 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 5  0  o 14.0176 6.72432 -0.00949806  4.34978  -0.00949806  4.34978  15.2412     90          3.47406     90          
1 1 1 27 5  1  o 21.9667 6.64257 1.87146      4.14729  5.18619      4.02908  28.4864     241.586     9.02538     241.586     
1 1 1 27 5  2  o 21.7532 6.57161 0.482756     4.1052   5.87037      4.09107  29.5299     40.6501     17.9478     40.6501     
1 1 1 27 5  3  o 19.4072 6.22469 0.691044     4.09993  2.39311      3.99999  23.4531     342.223     13.5615     342.223     
1 1 1 27 5  4  o 18.9139 6.1201  0.780001     4.01005  1.59312      4.00385  23.2274     331.676     7.78865     331.676     
1 1 1 27 5  5  o 14.7306 5.10486 -4.20449     3.93054  -3.67152     3.91853  5.47999     112.27      2.99337     112.27      
1 1 1 27 5  6  o 17.0141 5.64647 -0.161461    3.7425   -0.632228    3.75848  18.0732     62.7669     9.90957     62.7669     
1 1 1 27 5  7  o 17.1628 5.68394 -0.568907    3.87259  0.0862641    3.67129  19.1245     358.834     10.4405     358.834     
1 1 1 27 5  8  o 17.6701 5.8269  0.228481     4.1043   0.200594     3.6717   19.6848     85.0553     11.7607     85.0553     
1 1 1 27 5  9  o 21.1645 6.54645 1.94964      4.15965  4.60377      4.06752  21.306      287.409     16.0433     287.409     
1 1 1 27 5  10 o 19.4829 6.25591 6.2435       4.63372  -4.28684     3.98657  25.837      130.232     15.5938     130.232     
1 1 1 27 5  11 o 35.7792 7.62916 10.9625      4.3818   14.8899      4.78974  46.1146     259.551     5.06884     259.551     
1 1 1 27 5  12 o 18.3319 6.04176 2.87838      4.39617  -1.15666     3.95773  23.2781     232.092     7.07206     232.092     
1 1 1 27 5  13 o 19.4644 6.05982 5.06298      3.68683  -2.13507     4.12031  22.0364     328.243     0.435091    148.243     
1 1 1 27 5  14 o 20.3922 6.46108 3.08323      3.73981  3.41054      4.68729  28.1061     260.861     12.4472     260.861     
1 1 1 27 5  15 o 23.6348 6.8161  4.01903      4.5173   7.05561      3.77057  20.3319     244.172     15.6059     64.1721     
1 1 1 27 5  16 o 16.1232 5.35323 3.04227      3.5979   -7.0128      3.76289  19.4839     294.046     9.65993     294.046     
1 1 1 27 5  17 o 19.5361 6.17272 1.35095      3.98244  4.12332      3.76282  22.6949     330.916     1.78616     330.916     
1 1 1 27 5  18 o 23.2476 6.90253 6.99077      4.20161  5.03926      4.2195   32.5818     41.2963     14.0053     41.2963     
1 1 1 27 5  19 o 16.7668 5.63987 0.295267     3.94188  -0.0957793   4.0268   19.6675     314.046     10.3371     314.046     
1 1 1 27 5  20 o 16.6249 5.60871 -0.0160747   3.96717  0.173371     4.03005  19.1639     162.236     10.2035     162.236     
1 1 1 27 5  21 o 18.1627 5.99424 2.1601       4.21085  1.88719      4.04471  20.369      307.559     1.28995     307.559     
1 1 1 27 5  22 o 16.3073 5.58797 -4.71355     4.10873  2.73662      4.5274   18.752      187.749     5.78483     187.749     
1 1 1 27 5  23 o 34.4493 7.58712 15.0702      4.37017  12.7266      4.7811   54.9979     263.026     30.2741     263.026     
1 1 1 27 5  24 o 20.9    6.34946 4.96515      3.65431  4.26176      3.71407  26.6144     205.308     12.273      205.308     
1 1 1 27 5  25 o 16.3557 5.44102 2.07363      3.51387  -1.16051     3.63853  4.88753     298.791     2.48482     298.791     
1 1 1 27 5  26 o 17.8402 5.73775 0.436451     3.53009  3.86212      3.5159   10.6329     124.046     6.29439     124.046     
1 1 1 27 5  27 o 17.2919 5.64295 3.57255      3.53646  0.436929     3.59107  5.48068     261.293     3.47939     261.293     
1 1 1 27 5  28 o 20.5388 6.2135  6.78493      3.54111  3.71016      3.65182  27.1911     71.1695     15.3873     71.1695     
1 1 1 27 5  29 o 16.3099 5.40158 3.4859       3.48156  -0.0981796   3.40857  18.939      252.589     9.48234     252.589     
1 1 1 27 5  30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 6  0  o 10.6555 5.34968 -3.28285     3.72576  -3.28285     3.72576  6.55559     270         0.398967    90          
1 1 1 27 6  1  o 21.8683 6.43574 0.0659752    3.82678  6.50838      3.90391  31.0161     132.187     17.5164     132.187     
1 1 1 27 6  2  o 20.544  6.42977 4.87503      4.20319  -0.0497805   4.0811   25.0099     158.368     4.83708     158.368     
1 1 1 27 6  3  o 17.6643 5.88083 2.44858      4.38786  -3.53621     3.91231  18.2877     140.319     1.89074     320.319     
1 1 1 27 6  4  o 28.1631 7.3384  7.91607      4.28406  7.92857      4.10804  41.9149     85.27       19.241      85.27       
1 1 1 27 6  5  o 15.8757 5.4051  -1.84426     3.8697   -2.24178     3.94633  7.91284     255.407     4.99663     255.407     
1 1 1 27 6  6  o 16.9424 5.68548 0.447998     4.06842  -2.20246     3.9551   19.31       129.254     3.29992     129.254     
1 1 1 27 6  7  o 19.687  6.21841 2.35472      3.84455  2.19722      3.8519   16.3223     223.619     13.1004     43.6188     
1 1 1 27 6  8  o 22.636  6.70298 5.13675      3.86071  4.00482      4.03253  26.7122     277.561     1.18306     277.561     
1 1 1 27 6  9  o 23.2367 6.76715 4.28283      4.1044   5.8022       3.80814  31.991      307.762     11.4895     307.762     
1 1 1 27 6  10 o 22.5618 6.91057 6.56512      4.54457  2.91242      4.4515   19.2098     243.689     14.9798     63.6885     
1 1 1 27 6  11 o 16.9999 5.76129 1.02879      4.30268  -3.55738     4.48564  21.912      61.9694     10.6624     61.9694     
1 1 1 27 6  12 o 20.9804 6.60092 1.95504      4.46344  5.0695       4.28207  22.6638     83.366      3.0873      263.366     
1 1 1 27 6  13 o 21.2212 6.58379 3.8884       3.97554  4.10375      4.28602  30.25       290.239     15.4788     290.239     
1 1 1 27 6  14 o 19.4308 5.96065 -2.01778     3.66785  5.65954      3.639    22.4374     39.64       16.4108     39.64       
1 1 1 27 6  15 o 17.4057 5.73138 -4.76832     4.06153  3.83803      3.93976  22.122      248.206     11.0196     248.206     
1 1 1 27 6  16 o 16.903  5.58867 -0.526156    3.64248  1.47257      3.62696  15.6247     37.3594     10.3326     37.3594     
1 1 1 27 6  17 o 17.9389 5.84408 2.91777      3.69828  -0.25565     3.93483  17.5144     358.606     5.11181     178.606     
1 1 1 27 6  18 o 17.6213 5.88225 -3.12318     4.1806   3.83042      4.3614   13.1977     19.8976     9.15034     19.8976     
1 1 1 27 6  19 o 18.8954 6.1221  3.19622      4.13265  2.052        3.90963  22.9618     305.463     5.38933     305.463     
1 1 1 27 6  20 o 15.2664 5.22488 -2.86903     3.76914  0.131514     3.79486  6.44408     332.875     21.8936     152.875     
1 1 1 27 6  21 o 23.1041 6.79522 7.32136      4.15661  5.27665      3.83877  23.087      310.515     7.46323     130.515     
1 1 1 27 6  22 o 19.1423 6.16864 1.90924      4.10383  4.32806      4.00719  22.6089     358.418     5.11612     358.418     
1 1 1 27 6  23 o 19.0904 6.15837 4.68763      4.09793  1.51493      4.01014  19.8493     119.594     11.6511     119.594     
1 1 1 27 6  24 o 14.9361 5.1553  -4.24707     3.9168   0.129744     3.89791  12.0229     326.628     1.5563      326.628     
1 1 1 27 6  25 o 19.2482 6.3624  3.28417      4.31043  4.0305       5.06979  11.2561     238.106     6.98681     238.106     
1 1 1 27 6  26 o 15.0662 5.19833 -1.837       3.91706  -0.611435    3.96087  13.4391     93.5111     2.39998     93.5111     
1 1 1 27 6  27 o 15.4707 5.18939 2.50819      3.36121  -1.83846     3.44931  15.0181     179.563     0.391016    359.563     
1 1 1 27 6  28 o 14.3751 4.91993 1.00915      3.35957  -2.13699     3.3658   14.3363     306.445     5.35327     306.445     
1 1 1 27 6  29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 6  30 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 7  0  o 11.1968 5.60269 -2.96288     3.97026  -2.96288     3.97026  10.2454     90          2.42348     270         
1 1 1 27 7  1  o 17.9159 5.88434 1.24285      3.75856  -0.431359    4.11773  22.3097     187.02      8.31178     187.02      
1 1 1 27 7  2  o 20.2409 6.27007 4.83291      3.88894  -0.0524596   3.88447  25.3458     275.641     6.07784     275.641     
1 1 1 27 7  3  o 18.5838 6.05611 2.15273      4.10077  0.000268041  3.95579  23.9497     120.718     12.8434     120.718     
1 1 1 27 7  4  o 18.7304 6.11456 1.97876      4.20144  0.423276     4.04498  19.9057     218.627     2.10449     38.6266     
1 1 1 27 7  5  o 21.5447 6.51265 0.805158     4.11097  6.06014      3.98544  27.7478     111.184     7.18586     111.184     
1 1 1 27 7  6  o 16.0535 5.49875 -0.598029    4.15642  -4.21581     4.312    18.949      336.008     5.86648     336.008     
1 1 1 27 7  7  o 18.9247 6.21408 -0.69125     4.38534  3.08626      4.41679  25.3401     37.4115     12.5323     37.4115     
1 1 1 27 7  8  o 20.3708 6.27198 -3.07403     4.29143  6.49636      4.05912  28.5451     251.348     13.3604     251.348     
1 1 1 27 7  9  o 17.5975 5.80617 -1.56468     4.04249  2.04602      3.8504   21.5016     14.3631     4.87522     14.3631     
1 1 1 27 7  10 o 17.1941 5.74029 1.65709      4.04542  -2.0629      3.99126  16.5259     165.482     5.76517     345.482     
1 1 1 27 7  11 o 17.5276 5.86001 1.91964      4.24734  -1.83471     4.17004  22.6395     57.4326     11.3434     57.4326     
1 1 1 27 7  12 o 15.4047 5.29913 0.217289     4.01009  -6.26362     4.16715  16.6619     213.853     9.18523     213.853     
1 1 1 27 7  13 o 24.6496 7.04993 5.44157      4.25453  7.81028      4.16196  37.4379     278.504     21.4552     278.504     
1 1 1 27 7  14 o 18.7564 6.11125 3.85733      3.89391  -1.73565     4.92661  22.997      328.124     5.68308     328.124     
1 1 1 27 7  15 o 19.1307 6.17004 5.63701      4.33147  -1.65938     4.02863  24.7227     49.4929     9.62729     49.4929     
1 1 1 27 7  16 o 14.8223 5.08507 0.728982     3.62642  -6.92184     3.91286  15.9737     80.0594     3.04351     80.0594     
1 1 1 27 7  17 o 16.223  5.45774 -0.09896     3.68579  -0.295614    3.78039  15.8379     20.1146     3.46622     200.115     
1 1 1 27 7  18 o 12.2999 4.35813 -6.18979     3.52924  -5.55871     3.53106  7.92016     162.95      3.18836     162.95      
1 1 1 27 7  19 o 17.4197 5.65041 4.52436      3.70557  -2.88558     3.57604  21.6908     35.2486     8.9283      35.2486     
1 1 1 27 7  20 o 21.7936 6.46631 3.96992      3.78401  6.15535      3.66158  23.0907     73.3094     3.70201     253.309     
1 1 1 27 7  21 o 16.4371 5.50768 0.997537     3.70471  -0.0537231   3.76138  17.4289     169.465     1.97261     169.465     
1 1 1 27 7  22 o 24.5567 6.83023 7.54939      3.77533  6.63317      3.81959  34.3249     83.3924     23.4825     83.3924     
1 1 1 27 7  23 o 19.173  6.08187 3.30113      3.7476   3.27027      3.69927  21.2209     240.166     9.71321     240.166     
1 1 1 27 7  24 o 20.2597 6.3267  6.91092      4.04803  1.10529      4.11049  16.8426     134.499     10.7574     134.499     
1 1 1 27 7  25 o 17.9094 5.90246 0.596812     4.04869  3.90831      4.0129   19.2482     302.998     7.37322     302.998     
1 1 1 27 7  26 o 18.6559 6.15476 2.02681      4.02597  5.92822      4.62308  15.2889     125.921     9.854       125.921     
1 1 1 27 7  27 o 14.5305 5.04044 -0.41226     3.85007  -1.59784     3.86266  14.1853     170.205     0.506335    170.205     
1 1 1 27 7  28 o 17.6839 5.87568 1.47852      3.96988  4.95411      4.21122  18.034      194.173     12.1753     194.173     
1 1 1 27 7  29 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 8  0  o 15.8915 7.15231 2.42195      3.84448  2.42195      3.84448  21.0642     270         3.36134     270         
1 1 1 27 8  1  o 22.4041 6.64683 4.02646      3.88991  5.08334      3.87102  32.3896     323.181     16.014      323.181     
1 1 1 27 8  2  o 20.2638 6.35871 -0.14417     4.09923  5.21511      4.1297   26.6128     320.706     8.80952     320.706     
1 1 1 27 8  3  o 24.4108 6.98059 6.95206      4.24557  5.09839      3.89184  33.6132     30.7762     11.5118     30.7762     
1 1 1 27 8  4  o 20.5078 6.54065 1.95626      4.40509  4.06575      4.39099  29.0403     147.05      16.8648     147.05      
1 1 1 27 8  5  o 27.3266 7.47368 7.81924      4.42363  8.7935       4.52612  39.8522     78.3764     16.7795     78.3764     
1 1 1 27 8  6  o 15.5375 5.33258 -2.12176     3.9551   -2.46125     4.04153  15.4778     320.831     3.08035     140.831     
1 1 1 27 8  7  o 19.4274 6.2173  3.37586      4.02955  1.18409      4.00291  26.2953     112.194     11.5262     112.194     
1 1 1 27 8  8  o 17.1916 5.69184 -0.0547186   3.80763  0.723389     3.74436  22.0278     49.0733     11.6851     49.0733     
1 1 1 27 8  9  o 16.2155 5.46577 1.00692      3.70389  -3.67332     4.09045  9.15435     268.508     6.39736     268.508     
1 1 1 27 8  10 o 19.1265 6.22997 -0.371779    4.79088  3.6298       4.05535  25.3368     354.256     15.1665     354.256     
1 1 1 27 8  11 o 19.506  6.38512 0.398174     5.0945   3.76552      4.28914  18.2179     202.483     8.08288     22.4829     
1 1 1 27 8  12 o 17.7035 5.94678 -1.48034     4.71526  1.86828      4.24762  22.2357     91.7673     10.0989     91.7673     
1 1 1 27 8  13 o 17.2735 5.84845 -0.172038    4.615    0.220912     4.26127  21.1237     69.2421     9.14519     69.2421     
1 1 1 27 8  14 o 22.5962 6.65595 6.72137      3.79379  3.68285      4.18347  24.1344     72.5077     3.83885     252.508     
1 1 1 27 8  15 o 19.3092 6.11236 0.321028     3.99241  4.71558      3.78867  24.118      86.5952     15.6664     86.5952     
1 1 1 27 8  16 o 18.6376 5.80556 5.9572       3.67089  -3.50138     3.62985  22.9791     206.848     6.09377     206.848     
1 1 1 27 8  17 o 18.9725 6.06082 3.83199      3.82241  1.81261      3.76194  24.3683     39.0965     9.54317     39.0965     
1 1 1 27 8  18 o 17.4099 5.70532 0.440572     3.77717  2.39874      3.57406  21.2128     12.0197     7.26946     12.0197     
1 1 1 27 8  19 o 18.4326 5.91917 1.67434      3.72282  3.29022      3.6337   23.2747     318.796     10.863      318.796     
1 1 1 27 8  20 o 23.4865 6.76573 3.37441      3.86882  9.59688      4.21472  30.5601     324.585     22.0537     324.585     
1 1 1 27 8  21 o 18.552  5.87508 0.609926     3.60899  4.40893      3.52551  13.6502     243.687     8.73268     243.687     
1 1 1 27 8  22 o 16.2419 5.40365 -2.13404     3.63948  2.41821      3.50442  6.95283     312.212     3.45402     312.212     
1 1 1 27 8  23 o 14.7259 5.04859 -2.21433     3.55067  -0.426488    3.5732   9.45733     270.052     2.49226     270.052     
1 1 1 27 8  24 o 20.0888 6.15928 2.5948       3.64458  5.77734      3.58344  21.6175     337.839     13.3792     337.839     
1 1 1 27 8  25 o 13.8872 4.79702 -2.2789      3.41504  -0.798598    3.36201  12.0279     243.26      0.462523    63.26       
1 1 1 27 8  26 o 15.1006 5.11263 2.96577      3.52391  -3.02638     3.34231  13.3503     172.499     6.7994      172.499     
1 1 1 27 8  27 o 13.5129 4.74675 -2.78252     3.79036  -2.61729     3.83982  13.0416     188.512     5.29028     188.512     
1 1 1 27 8  28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 9  0  o 15.8039 7.35483 2.1509       4.55217  2.1509       4.55217  19.6228     270         12.5718     270         
1 1 1 27 9  1  o 21.6003 6.50134 7.1091       4.09116  0.0505742    4.12579  25.9527     77.9911     2.64057     77.9911     
1 1 1 27 9  2  o 17.5252 5.83647 -0.0657986   4.05918  0.734093     4.07994  18.3836     335.134     12.5069     335.134     
1 1 1 27 9  3  o 15.845  5.40327 -0.815871    4.08911  -2.31195     3.76243  16.5245     149.868     1.17262     329.868     
1 1 1 27 9  4  o 16.8462 5.62833 1.80734      3.96904  -2.50521     3.77372  21.1979     326.928     10.309      326.928     
1 1 1 27 9  5  o 19.7238 6.32296 2.88785      4.16455  2.49691      4.1338   27.0911     234.264     14.6323     234.264     
1 1 1 27 9  6  o 28.7528 7.3845  5.64726      4.62925  12.808       4.58902  39.4278     222.17      11.64       222.17      
1 1 1 27 9  7  o 18.578  6.20577 3.99804      4.79117  -2.73244     4.74769  22.5214     64.8861     5.292       64.886      
1 1 1 27 9  8  o 14.4041 5.03998 -5.78091     4.22328  -3.10175     4.091    10.8785     335.578     6.28613     335.578     
1 1 1 27 9  9  o 18.2849 5.91304 3.55297      3.80351  -0.776202    3.86602  21.4993     334.297     14.0331     334.297     
1 1 1 27 9  10 o 16.611  5.53364 -2.0668      3.70951  1.81675      3.72108  16.3795     323.286     10.3332     323.286     
1 1 1 27 9  11 o 18.4233 6.10473 2.55645      4.886    0.991939     3.77078  22.0927     348.088     5.32788     348.088     
1 1 1 27 9  12 o 15.8859 5.49047 0.0444793    4.22158  -5.87424     4.99259  7.66649     327.417     4.99397     327.417     
1 1 1 27 9  13 o 19.364  6.28369 4.638        4.2633   0.345743     4.49799  25.0152     194.648     10.3587     194.648     
1 1 1 27 9  14 o 19.2714 6.0313  5.65577      3.72149  -1.71112     4.10515  21.4547     52.8268     0.242998    52.8263     
1 1 1 27 9  15 o 18.3005 5.98488 1.61625      4.09629  2.55963      3.87896  18.7172     136.419     2.91722     316.419     
1 1 1 27 9  16 o 22.969  6.6894  7.66231      3.98836  4.30274      3.75971  33.747      121.138     20.907      121.138     
1 1 1 27 9  17 o 17.424  5.72366 2.26302      3.73211  0.717333     3.67422  20.4538     315.363     11.7598     315.363     
1 1 1 27 9  18 o 21.9098 6.49202 4.18201      3.75818  6.29027      3.70467  28.4396     65.06       9.65116     65.06       
1 1 1 27 9  19 o 14.489  4.99499 -1.65352     3.67806  -2.09648     3.54771  13.0806     76.9737     1.63129     76.9737     
1 1 1 27 9  20 o 17.1273 5.63617 1.65126      3.62433  1.11952      3.59295  10.0166     281.878     5.6654      281.878     
1 1 1 27 9  21 o 16.2507 5.42931 1.29908      3.61268  -0.278328    3.54063  10.7044     234.351     4.44576     234.351     
1 1 1 27 9  22 o 31.4556 5.75544 17.1842      3.85927  2.06281      3.68577  51.6138     101.701     42.3725     101.701     
1 1 1 27 9  23 o 18.6886 5.93846 3.62107      3.58669  2.98979      3.55021  4.88341     109.508     3.30773     109.508     
1 1 1 27 9  24 o 17.4976 5.70655 3.48431      3.67715  1.94404      3.47379  18.8852     131.716     9.53573     131.716     
1 1 1 27 9  25 o 18.5577 5.89629 1.90409      3.57417  5.67319      3.61931  21.9643     254.971     13.2536     254.971     
1 1 1 27 9  26 o 16.2449 5.41718 0.323916     3.51463  2.93725      3.57533  19.3467     54.8606     9.28893     54.8606     
1 1 1 27 9  27 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 10 0  o 12.0568 5.91893 -1.11491     3.84802  -1.11491     3.84802  1.42968     270         0.727484    270         
1 1 1 27 10 1  o 14.6672 5.10928 -5.41041     4.15783  -2.2587      4.06418  16.1222     210.418     5.42256     210.418     
1 1 1 27 10 2  o 15.4034 5.28122 2.13029      4.05274  -9.45651     3.94259  14.7905     187.566     3.44021     7.56595     
1 1 1 27 10 3  o 22.3675 6.83369 4.62898      4.58466  5.67034      4.1193   27.6535     76.542      5.0855      76.542      
1 1 1 27 10 4  o 23.8531 6.78987 10.7882      4.50927  -0.387058    4.3985   31.9649     258.417     24.8207     258.417     
1 1 1 27 10 5  o 20.3317 6.53125 -0.190495    4.79221  6.01211      4.54576  22.6168     75.3013     0.157987    255.301     
1 1 1 27 10 6  o 17.9416 5.94986 -1.75427     4.02247  3.49654      4.35159  21.4126     37.5821     5.23364     37.5821     
1 1 1 27 10 7  o 20.9773 6.5123  1.51155      4.48519  6.06226      4.03911  29.0877     38.4678     15.873      38.4678     
1 1 1 27 10 8  o 17.3325 5.78022 -5.73506     4.07314  4.47157      4.31487  11.6406     20.8243     8.03714     20.8243     
1 1 1 27 10 9  o 16.3819 5.51598 -1.87082     3.88205  1.07693      3.8376   18.3718     0.630316    9.66792     0.630316    
1 1 1 27 10 10 o 19.933  6.16189 6.22275      3.86707  -0.78121     3.881    27.0383     350.929     14.9557     350.929     
1 1 1 27 10 11 o 13.7708 4.83506 -4.1731      4.17219  -4.54171     3.6546   12.2167     16.1004     5.34432     16.1004     
1 1 1 27 10 12 o 18.2766 6.0702  -0.376992    4.65754  3.28213      4.24159  20.4454     252.896     12.9683     252.896     
1 1 1 27 10 13 o 16.8106 5.68439 0.885049     4.12874  -0.4526      4.20363  10.5304     220.12      7.11252     220.12      
1 1 1 27 10 14 o 18.4319 6.04915 5.08708      4.3294   -1.25834     4.093    23.3235     194.21      11.7318     194.21      
1 1 1 27 10 15 o 17.8459 5.89971 3.35525      4.23412  0.129541     3.80354  20.247      89.0766     2.79225     89.0766     
1 1 1 27 10 16 o 19.8074 6.18026 5.97644      3.86972  0.899993     3.79496  22.8003     290.383     15.1184     290.383     
1 1 1 27 10 17 o 17.8383 5.84249 0.699655     3.94024  3.06656      3.76525  11.9071     70.5102     7.63246     70.5102     
1 1 1 27 10 18 o 16.5441 5.46817 3.5795       3.63234  -3.47698     3.62354  15.3813     290.193     6.51637     290.193     
1 1 1 27 10 19 o 19.4297 6.09909 5.67927      3.83066  0.801891     3.69773  12.2017     265.741     7.82397     265.741     
1 1 1 27 10 20 o 18.1404 5.8793  2.49539      3.84125  2.47995      3.59289  7.37931     84.1426     4.37564     84.1426     
1 1 1 27 10 21 o 13.1841 4.61243 -3.47311     3.49148  -3.2772      3.44299  3.15462     270.647     0.765002    270.647     
1 1 1 27 10 22 o 16.5818 5.50866 0.323903     3.62593  2.49459      3.58961  17.1091     319.362     5.21427     319.362     
1 1 1 27 10 23 o 21.0049 6.25746 8.53504      3.75176  2.24692      3.66575  27.7353     51.4533     13.2518     51.4533     
1 1 1 27 10 24 o 13.7734 4.76784 0.473327     3.41157  -3.65344     3.40573  13.0216     76.4419     4.40465     76.4419     
1 1 1 27 10 25 o ?       ?       ?            ?        ?            ?        4.44797     172.95      0           0           
1 1 1 27 10 26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 11 0  o 17.0706 7.64482 3.59471      4.32892  3.59471      4.32892  13.7462     270         9.683       270         
1 1 1 27 11 1  f 18.357  6.08846 3.43735      4.50056  -0.500745    4.23054  19.4192     331.564     0           0           
1 1 1 27 11 2  o 18.4572 6.08024 3.23727      4.16098  -0.131193    4.42884  13.846      49.1539     9.85673     49.1539     
1 1 1 27 11 3  o 17.5894 5.85028 0.298697     3.90453  1.62792      4.20826  18.4654     317.318     11.6705     317.318     
1 1 1 27 11 4  o 18.8121 6.12165 1.81202      3.98525  2.76418      4.17723  24.0793     94.5168     11.0042     94.5168     
1 1 1 27 11 5  o 16.5318 5.60651 1.43812      4.12998  -2.96188     4.19457  18.7658     82.758      4.30439     82.758      
1 1 1 27 11 6  o 16.167  5.50853 -1.98353     4.15692  0.0920369    4.03162  13.7431     134.368     8.4918      134.368     
1 1 1 27 11 7  o 18.7473 6.00571 6.39943      4.13246  -6.16021     4.48035  23.8651     47.8823     13.673      47.8823     
1 1 1 27 11 8  o 18.2651 5.96425 -4.1781      4.15676  5.59041      4.24536  19.1726     180.042     1.48594     0.0422325   
1 1 1 27 11 9  o 15.8381 5.43721 -3.32575     4.39047  0.17712      4.05065  17.703      143.54      7.54517     143.54      
1 1 1 27 11 10 o 20.9979 6.5882  7.60742      4.51482  1.33836      4.27428  14.1202     149.393     20.3048     329.393     
1 1 1 27 11 11 o 16.4573 5.56051 -2.14364     4.39973  1.48071      3.75917  16.3197     66.3344     2.40891     246.334     
1 1 1 27 11 12 o 21.4739 6.54513 2.0017       4.73609  7.10175      3.89414  27.7323     243.788     8.98872     243.788     
1 1 1 27 11 13 f 18.2785 6.08576 1.17947      4.69758  2.78144      4.22631  14.3117     230.236     0           0           
1 1 1 27 11 14 o 15.4496 5.30643 -3.10102     3.73088  0.69043      4.14513  15.6504     175.922     2.61591     175.922     
1 1 1 27 11 15 o 19.9722 6.34011 5.00018      4.29104  3.1556       3.80094  17.7071     41.2181     11.973      41.2181     
1 1 1 27 11 16 o 19.2169 6.07568 1.16171      3.80606  5.00978      3.76081  20.7457     150.822     11.3493     150.822     
1 1 1 27 11 17 f 19.5324 6.12747 0.0345681    3.88793  6.16685      3.88283  17.3961     29.9435     0           0           
1 1 1 27 11 18 o 19.2352 5.99894 -0.475452    3.76358  6.09799      3.70511  19.8052     138.585     9.85287     138.585     
1 1 1 27 11 19 o 14.6156 5.03257 -1.01403     3.63152  -2.06052     3.65224  11.7881     65.6464     0.322281    245.647     
1 1 1 27 11 20 o 14.5148 5.00285 0.124777     3.65617  -3.08407     3.59794  12.364      48.121      1.14862     48.121      
1 1 1 27 11 21 o 14.4682 4.978   0.671751     3.56167  -2.7589      3.55487  13.1714     122.931     2.4691      122.931     
1 1 1 27 11 22 f 17.5016 5.78168 3.52038      3.72647  2.38499      4.04414  10.3919     52.9123     0           0           
1 1 1 27 11 23 o 16.156  5.40902 1.42607      3.63218  1.81505      3.53387  17.7589     251.655     2.79327     251.655     
1 1 1 27 11 24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 11 25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 12 0  o 11.1226 5.55205 -2.14774     3.82114  -2.14774     3.82114  8.73871     270         7.37287     90          
1 1 1 27 12 1  o 14.7688 5.10828 -4.14705     3.8511   -0.864317    3.90128  15.5177     20.1164     5.71915     20.1164     
1 1 1 27 12 2  o 21.8494 6.50952 2.07428      3.94353  7.47962      3.95081  25.1449     40.5977     1.36178     40.5977     
1 1 1 27 12 3  o 17.2811 5.72975 3.12281      3.94394  -1.66203     3.89775  15.3399     5.85704     10.1353     5.85704     
1 1 1 27 12 4  o 16      5.47671 0.999088     4.31245  -2.86784     3.91234  18.0974     182.552     6.66101     182.552     
1 1 1 27 12 5  o 21.3387 6.63276 5.80914      4.45355  4.32534      3.95225  21.8865     145.756     4.24424     325.756     
1 1 1 27 12 6  o 14.7523 5.15801 -3.78333     4.2838   -2.8332      4.33663  12.3826     112.818     6.31815     292.818     
1 1 1 27 12 7  o 24.2652 7.1494  11.4732      4.81505  3.34073      4.78046  34.0172     348.32      15.6612     348.32      
1 1 1 27 12 8  o 15.7958 5.43921 0.823856     4.17536  -4.49157     4.50521  16.9177     22.9609     2.30132     22.9609     
1 1 1 27 12 9  o 16.9536 5.72962 2.20327      4.34036  -1.36036     4.08173  15.9005     262.558     4.67981     82.5581     
1 1 1 27 12 10 f 18.0793 5.9344  3.50054      3.9109   0.176498     4.18089  21.8822     258.447     0           0           
1 1 1 27 12 11 o 19.4921 6.27676 2.60847      4.49423  4.28101      3.94098  23.3651     249.314     7.21552     249.314     
1 1 1 27 12 12 o 17.5017 5.81809 5.18423      4.32166  -3.67104     3.91415  12.9983     111.144     7.82839     111.144     
1 1 1 27 12 13 o 18.7712 6.15758 3.60699      4.28532  2.04908      4.2375   19.7958     26.1096     10.2574     26.1096     
1 1 1 27 12 14 o 16.2492 5.55947 -1.60281     3.81345  1.1252       4.5786   3.82628     198.768     1.98412     198.768     
1 1 1 27 12 15 o 16.9873 5.80334 1.43092      5.32142  -0.102282    3.79071  13.496      7.516       5.30382     7.516       
1 1 1 27 12 16 o 15.894  5.42798 1.49969      4.21993  -2.20427     3.71912  12.9725     231.621     3.157       231.621     
1 1 1 27 12 17 o 20.793  6.18697 8.43011      3.85161  -0.794597    3.84612  24.6898     113.448     13.9634     113.448     
1 1 1 27 12 18 o 17.0613 5.74082 0.121761     4.93931  2.36886      3.66718  16.3646     258.904     7.18964     258.904     
1 1 1 27 12 19 o 14.0162 4.88174 -2.20334     3.9203   -1.74949     3.5599   11.4354     222.006     3.43846     42.0055     
1 1 1 27 12 20 o 15.8297 5.34857 0.836132     3.76069  1.31711      3.58234  13.5762     72.6096     7.37536     72.6096     
1 1 1 27 12 21 o 16.3503 5.4611  2.78201      3.68447  0.861081     3.53731  18.7729     48.458      8.23073     48.458      
1 1 1 27 12 22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 12 23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 13 0  o 17.4852 7.61901 4.1114       4.00426  4.1114       4.00426  21.5933     270         14.2515     270         
1 1 1 27 13 1  o 13.8574 4.85983 -5.06266     3.98     -2.95678     3.90406  13.1006     176.608     3.99775     176.608     
1 1 1 27 13 2  o 17.9747 5.92308 2.03386      4.07726  1.84428      3.93425  21.5847     190.224     10.7984     190.224     
1 1 1 27 13 3  o 17.7856 5.85298 3.56715      3.98247  -0.39283     3.9089   18.9867     264.734     11.4343     264.734     
1 1 1 27 13 4  o 24.188  6.87573 4.53833      4.13923  9.28384      4.09003  27.9554     185.665     1.51101     185.665     
1 1 1 27 13 5  o 20.4222 6.49571 1.61714      4.45334  6.67078      4.38874  19.4138     329.278     13.7285     329.278     
1 1 1 27 13 6  o 16.7035 5.61477 0.577098     3.97315  0.610353     3.89477  18.0715     199.409     4.94003     199.409     
1 1 1 27 13 7  o 25.0291 7.16967 8.5775       4.33706  7.68127      4.26199  32.5502     71.1438     10.5687     71.1438     
1 1 1 27 13 8  o 16.9822 5.7736  -5.23146     5.64453  2.76707      4.09482  15.6849     343.254     3.24529     163.254     
1 1 1 27 13 9  o 19.6215 6.37832 3.04019      4.73064  4.33628      4.20553  21.0442     293.295     11.8929     293.295     
1 1 1 27 13 10 o 21.448  6.51198 8.23255      4.2093   1.51272      3.93067  19.1884     244.985     13.2945     244.985     
1 1 1 27 13 11 o 21.4071 6.68895 4.67252      4.79679  6.03606      4.07105  15.9702     39.3503     10.9225     39.3503     
1 1 1 27 13 12 o 23.1221 6.58455 -4.97131     5.01815  12.5734      4.5632   11.1494     29.8164     8.37256     29.8164     
1 1 1 27 13 13 o 16.2424 5.56642 0.739757     4.33762  -1.44095     4.30027  8.06926     200.763     3.54618     200.763     
1 1 1 27 13 14 o 17.3684 5.8502  2.19957      3.94111  0.222401     4.89717  13.1692     325.691     6.50324     325.691     
1 1 1 27 13 15 o 15.4997 5.29911 -3.78377     4.27004  1.46651      3.72253  13.9302     293.648     1.26476     293.648     
1 1 1 27 13 16 o 16.7734 5.59962 3.63112      3.89009  -0.854581    3.777    7.84177     240.826     4.64932     240.826     
1 1 1 27 13 17 o 15.4112 5.26273 -1.04304     3.86388  1.32896      3.72786  14.8462     260.632     0.85126     260.632     
1 1 1 27 13 18 o 15.7447 5.38619 -0.371602    3.85716  1.84677      4.10617  16.5666     215.059     5.30045     215.059     
1 1 1 27 13 19 f 16.1502 5.43496 1.32745      3.69816  1.79853      3.71664  18.2003     63.0696     0           0           
1 1 1 27 13 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 13 21 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 14 0  o 12.9548 6.26257 0.302153     3.9293   0.302153     3.9293   8.29492     270         1.22994     270         
1 1 1 27 14 1  o 19.1819 6.15145 1.3305       4.05397  4.85698      3.97001  21.0799     339.968     10.411      339.968     
1 1 1 27 14 2  o 15.8645 5.39607 -4.50213     3.95898  2.28561      3.95729  10.3113     249.619     4.68027     249.619     
1 1 1 27 14 3  o 18.2875 6.03172 2.87086      4.05552  1.66448      4.32881  19.4379     65.2238     6.67356     65.2238     
1 1 1 27 14 4  o 17.4047 5.81343 2.35747      4.01679  0.0417288    4.24235  14.9966     354.647     5.32622     174.647     
1 1 1 27 14 5  o 18.9682 6.14399 3.47247      4.10619  2.67882      3.99025  19.5468     171.382     9.33927     171.382     
1 1 1 27 14 6  o 15.4943 5.30248 0.857754     3.91903  -3.16442     3.88573  12.9182     97.5193     0.756494    277.519     
1 1 1 27 14 7  o 18.2108 6.04014 3.20816      4.18938  1.09102      4.45097  16.6799     142.934     7.23594     142.934     
1 1 1 27 14 8  o 19.5805 6.30924 2.39777      4.31815  5.01223      4.18006  19.2357     300.891     9.57924     300.891     
1 1 1 27 14 9  o 18.9937 6.15079 1.37456      4.22238  4.80053      4.05271  15.1035     202.158     8.49999     202.158     
1 1 1 27 14 10 o 18.7758 6.01291 -1.08879     4.02752  5.9701       3.94793  11.6327     296.288     7.10023     296.288     
1 1 1 27 14 11 o 18.07   5.97008 1.42202      4.48321  3.27286      3.89033  17.861      222.782     0.286541    222.782     
1 1 1 27 14 12 o 17.6992 5.9891  4.88042      5.14685  -0.0744903   3.88114  15.0042     238.546     7.8905      238.546     
1 1 1 27 14 13 o 16.0923 5.54896 -4.31286     5.12658  2.55911      4.26805  15.4587     136.461     4.56204     136.461     
1 1 1 27 14 14 o 15.8635 5.4372  2.21403      3.94617  -2.17533     4.55177  15.3417     299.114     5.76587     299.114     
1 1 1 27 14 15 o 16.3045 5.52317 -0.17248     4.34948  2.63341      3.76926  17.238      70.6928     6.97499     70.6928     
1 1 1 27 14 16 o 19.3966 6.11044 1.44783      3.99524  7.40463      3.85506  24.7634     98.5337     13.0788     98.5337     
1 1 1 27 14 17 o 17.6256 5.82699 2.36104      3.93241  3.97316      3.945    19.1143     15.4621     1.25168     15.4621     
1 1 1 27 14 18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 14 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 15 0  o 12.8388 6.22597 0.261104     3.95196  0.261104     3.95196  5.64156     270         0.354293    270         
1 1 1 27 15 1  o 13.8979 4.86793 -2.77324     3.87106  -4.09705     3.94369  8.50575     224.983     0.731474    224.983     
1 1 1 27 15 2  o 17.9623 5.91861 1.8255       4.04273  2.74729      3.96919  15.5105     180.108     7.59494     180.108     
1 1 1 27 15 3  o 15.3022 5.28796 -0.0911034   4.03921  -3.04969     4.27213  12.6681     264.374     0.392535    84.3736     
1 1 1 27 15 4  o 30.5056 7.14067 14.7397      4.283    7.68745      4.20549  42.8346     171.754     18.2472     171.754     
1 1 1 27 15 5  o 16.944  5.68737 0.171702     4.06896  2.1459       3.98415  16.1245     28.4169     0.853527    28.4168     
1 1 1 27 15 6  o 14.7497 5.12693 -1.11101     3.95148  -3.0888      4.19423  12.0136     195.161     1.14117     195.161     
1 1 1 27 15 7  o 14.2655 5.0032  0.543159     4.07518  -9.36387     4.47663  8.61913     172.925     2.6699      172.925     
1 1 1 27 15 8  o 15.8835 5.43366 -1.09988     4.18705  1.24679      3.99664  12.446      243.216     5.51498     243.216     
1 1 1 27 15 9  o 16.0251 5.47156 1.36706      4.13153  -0.155234    4.00788  9.04538     280.764     4.90966     280.764     
1 1 1 27 15 10 o 15.3854 5.28507 -3.90142     3.97015  2.79599      4.01806  13.8192     306.354     5.42615     306.354     
1 1 1 27 15 11 o 15.6845 5.38437 -0.940245    4.46855  1.50018      3.84608  14.5691     235.274     6.61317     235.274     
1 1 1 27 15 12 o 15.4861 5.35387 4.07117      4.41068  -4.6138      3.8683   14.4888     37.3505     6.95183     37.3505     
1 1 1 27 15 13 o 19.8617 6.39729 8.1977       4.47278  3.20239      4.29948  25.4495     323.976     13.3788     323.976     
1 1 1 27 15 14 o 14.4758 5.04966 -1.26053     3.92629  -1.52701     4.17911  10.7498     30.1971     6.26109     30.1971     
1 1 1 27 15 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 15 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 16 0  o 15.0584 6.98591 3.00626      4.05819  3.00626      4.05819  10.6414     270         5.69352     270         
1 1 1 27 16 1  o 18.5542 6.03454 1.60406      4.05577  5.9184       4.0418   21.3754     0.770056    9.28144     0.770056    
1 1 1 27 16 2  o 15.08   5.22922 -2.13026     4.07855  0.741098     4.18412  13.9655     235.972     4.22671     235.972     
1 1 1 27 16 3  f 15.1904 5.27124 1.06284      4.33263  -2.13549     4.07255  2.06606     141.717     0           0           
1 1 1 27 16 4  o 15.9411 5.44876 2.60836      4.13703  -1.02253     4.00361  11.7507     16.1619     6.48321     16.1619     
1 1 1 27 16 5  o 16.5367 5.5861  -0.152723    4.01845  3.42938      4.03156  15.2384     70.4234     8.29624     70.4234     
1 1 1 27 16 6  o 14.3928 5.01437 -2.27948     3.96365  -0.543803    3.94334  13.6343     80.0023     3.24796     80.0023     
1 1 1 27 16 7  o 15.4185 5.34396 -0.625261    4.50447  0.464269     4.14112  10.1721     329.68      5.90454     329.68      
1 1 1 27 16 8  o 14.8705 5.17655 0.143292     4.30004  -1.71065     4.02804  14.8796     226.335     5.93775     226.335     
1 1 1 27 16 9  o 14.0112 4.91665 -4.7221      4.08744  -0.265422    4.0248   12.2676     210.248     5.83434     210.248     
1 1 1 27 16 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 16 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 16 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 16 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 27 17 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 0  0  o 32.5209 10.6004 10.8364      5.83167  10.8364      5.83167  34.6146     180         15.9101     8.65151e-06 
1 1 1 28 0  1  o 12.5116 6.16133 -1.39523     4.25645  -1.39523     4.25645  13.3272     270         4.99616     90          
1 1 1 28 0  2  o 13.3774 6.41838 0.125404     3.96673  0.125404     3.96673  15.4274     180         9.02024     180         
1 1 1 28 0  3  o 24.1436 8.92299 7.34153      4.34803  7.34153      4.34803  35.9273     90          8.71397     90          
1 1 1 28 0  4  o 15.5274 7.10273 2.1492       3.9905   2.1492       3.9905   12.0041     180         16.532      8.65134e-06 
1 1 1 28 0  5  f 9.26024 4.76587 -6.49742     3.90678  -6.49742     3.90678  4.20067     90          0           0           
1 1 1 28 0  6  o 13.7931 6.54345 0.688371     3.90473  0.688371     3.90473  17.0049     180         9.76693     180         
1 1 1 28 0  7  o 18.7016 7.8632  4.37904      3.95755  4.37904      3.95755  24.28       90          0.119122    270         
1 1 1 28 0  8  o 10.426  5.27311 -3.78217     3.8796   -3.78217     3.8796   10.6228     360         0.995043    180         
1 1 1 28 0  9  o 23.4463 8.58823 6.81521      4.00246  6.81521      4.00246  28.2641     90          4.69545     270         
1 1 1 28 0  10 o 14.655  6.80542 1.63217      3.86547  1.63217      3.86547  21.044      360         9.79425     360         
1 1 1 28 0  11 o 28.3582 8.85033 8.89704      4.05796  8.89704      4.05796  43.1412     270         12.3136     270         
1 1 1 28 0  12 o 12.9385 6.20982 0.208935     3.71924  0.208935     3.71924  10.1807     180         5.524       180         
1 1 1 28 0  13 o 11.2319 5.56937 -1.73967     3.6515   -1.73967     3.6515   8.78639     270         2.96737     270         
1 1 1 28 0  14 o 10.0495 5.0883  -3.63337     3.65314  -3.63337     3.65314  7.43317     180         8.35717     8.65141e-06 
1 1 1 28 0  15 o 12.6692 6.11621 0.00978832   3.72023  0.00978832   3.72023  15.4022     270         3.72323     270         
1 1 1 28 0  16 o 10.1726 5.14355 -3.36724     3.68142  -3.36724     3.68142  4.75595     180         1.09609     180         
1 1 1 28 0  17 o 16.3533 7.31421 3.30189      3.94813  3.30189      3.94813  24.9081     270         12.6354     270         
1 1 1 28 0  18 o 13.1618 6.2892  0.668391     3.732    0.668391     3.732    16.3713     360         5.18493     360         
1 1 1 28 0  19 o 10.3071 5.19787 -2.97311     3.66423  -2.97311     3.66423  7.20818     270         1.377       90          
1 1 1 28 0  20 f 11.9353 5.84728 -0.627229    3.70609  -0.627229    3.70609  4.25087     0           0           0           
1 1 1 28 0  21 o 13.6936 6.46666 1.24562      3.73681  1.24562      3.73681  13.7687     270         0.236164    90          
1 1 1 28 0  22 o 10.5269 5.28433 -2.4513      3.63059  -2.4513      3.63059  1.88883     180         1.27507     8.61038e-06 
1 1 1 28 0  23 o 13.1671 6.2843  0.8878       3.70492  0.8878       3.70492  7.73941     270         2.14278     270         
1 1 1 28 0  24 o 12.3848 6.0104  0.254058     3.69902  0.254058     3.69902  9.11509     360         1.88951     360         
1 1 1 28 0  25 o 11.6491 5.71679 -0.254       3.58145  -0.254       3.58145  10.7413     270         3.50575     90          
1 1 1 28 0  26 o 13.7498 6.51709 1.94794      3.85768  1.94794      3.85768  3.02034     180         1.85741     180         
1 1 1 28 0  27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 0  28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 1  0  o 46.1286 7.44414 16.2983      4.60727  16.2983      4.60727  68.3198     7.0834e-06  15.9014     7.0834e-06  
1 1 1 28 1  1  o 18.3937 6.05366 2.61032      4.18216  -0.857688    4.26154  22.3067     183.294     1.96757     183.294     
1 1 1 28 1  2  o 17.7872 5.93919 0.032033     4.23091  0.560839     4.29367  14.1028     147.751     14.628      327.751     
1 1 1 28 1  3  o 16.3238 5.55935 -0.865481    4.24074  -1.9645      4.02687  21.5558     165.238     10.6122     165.238     
1 1 1 28 1  4  o 21.2624 6.52145 1.47613      4.25202  5.68847      3.98768  23.2976     52.7925     4.73858     232.793     
1 1 1 28 1  5  o 21.0077 6.54583 4.04197      4.29434  3.44816      3.94704  30.8799     297.526     21.3112     297.526     
1 1 1 28 1  6  o 15.8511 5.46175 -3.0044      4.80504  -1.83416     3.84478  19.6352     152.82      10.7602     152.82      
1 1 1 28 1  7  o 16.4453 5.55748 -2.09927     4.12043  0.226088     3.87109  21.4723     250.218     8.92745     250.218     
1 1 1 28 1  8  o 24.5286 6.9253  8.62565      4.17894  3.88716      4.0087   37.314      140.049     17.3462     140.049     
1 1 1 28 1  9  o 24.0937 6.95007 5.48204      4.20795  6.87087      4.00658  30.3441     51.8042     2.63736     51.8042     
1 1 1 28 1  10 o 25.674  6.76833 11.394       4.21952  1.18437      4.37242  29.6415     7.55209     3.83928     187.552     
1 1 1 28 1  11 o 18.7553 6.13829 4.00504      4.45346  -0.170996    3.93047  25.4567     2.39115     10.5784     2.39115     
1 1 1 28 1  12 o 19.3209 6.17429 1.05295      4.00819  4.14708      3.95377  20.5021     290.597     4.45764     110.597     
1 1 1 28 1  13 o 15.326  5.27242 -1.17127     3.85941  -2.939       4.12063  17.7013     122.78      3.35026     122.78      
1 1 1 28 1  14 o 16.8362 5.61794 -0.525843    3.81995  1.20639      3.80858  21.5677     331.505     9.91666     331.505     
1 1 1 28 1  15 o 22.7263 6.46163 9.1012       3.96581  0.484642     3.89456  35.0823     240.223     24.4475     240.223     
1 1 1 28 1  16 o 20.5346 6.31584 6.25776      3.88592  1.49506      3.87529  29.3488     353.165     13.8361     353.165     
1 1 1 28 1  17 o 15.9047 5.38648 0.793917     3.78428  -1.65745     3.77682  18.9466     321.659     4.47364     321.659     
1 1 1 28 1  18 o 16.1035 5.413   -3.3736      3.68804  2.49673      3.77891  17.4611     116.918     0.57661     296.918     
1 1 1 28 1  19 o 21.5972 6.52798 6.94866      3.86078  3.04464      4.22453  28.0172     27.5131     19.6919     27.5131     
1 1 1 28 1  20 o 21.9437 6.57984 5.55199      3.83783  5.45217      3.87836  30.5911     325.787     14.9593     325.787     
1 1 1 28 1  21 o 15.9646 5.38452 -0.814059    3.67394  0.744041     3.69905  15.3618     17.6344     1.34897     197.634     
1 1 1 28 1  22 o 19.1482 6.08595 2.78453      3.82112  3.90824      3.70761  16.5677     323.309     10.0501     323.309     
1 1 1 28 1  23 o 16.921  5.60311 0.73374      3.67008  2.02402      3.66025  18.2758     325.682     4.02048     325.682     
1 1 1 28 1  24 o 16.5115 5.51674 -0.273912    3.71615  2.69368      3.72291  18.2851     321.653     4.44802     321.653     
1 1 1 28 1  25 o 12.8645 4.53822 -1.26062     3.45947  -8.18838     4.0654   6.11434     187.832     2.62497     187.832     
1 1 1 28 1  26 o 16.4939 5.48443 0.257331     3.67008  3.39425      3.5716   20.3909     47.2626     10.0835     47.2626     
1 1 1 28 1  27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 1  28 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 2  0  o 14.7791 7.15819 0.4358       5.18823  0.4358       5.18823  21.6499     2.70348e-05 10.6716     2.70348e-05 
1 1 1 28 2  1  o 24.629  7.19814 4.53296      4.39519  8.55353      4.63775  34.3687     240.44      9.94914     240.44      
1 1 1 28 2  2  o 24.6296 7.11724 8.7966       4.27093  3.26104      5.21722  29.3271     240.638     1.40437     60.6382     
1 1 1 28 2  3  o 18.1057 6.01114 0.00275205   4.15715  1.49451      4.35253  17.4274     208.329     12.7581     208.329     
1 1 1 28 2  4  o 17.5686 5.90797 0.248935     4.44227  -0.272312    4.28212  23.9854     74.7304     12.0404     74.7304     
1 1 1 28 2  5  o 18.6414 6.11378 -2.47501     4.43568  4.03079      4.29961  23.9707     141.27      5.56375     141.27      
1 1 1 28 2  6  o 17.4331 5.83164 0.963187     4.07944  -0.746106    4.25013  23.2237     80.6411     9.11245     80.6411     
1 1 1 28 2  7  o 24.3549 6.68678 -1.09003     4.45129  10.8906      4.33116  40.1883     234.956     27.5627     234.956     
1 1 1 28 2  8  o 17.2056 5.76673 -0.571534    4.07805  0.704928     4.11088  22.3904     103.224     12.8614     103.224     
1 1 1 28 2  9  o 17.6705 5.85175 -2.81534     3.99421  3.40062      4.17513  16.7323     130.952     11.8617     130.952     
1 1 1 28 2  10 o 33.6044 7.51028 12.6893      4.36957  11.3129      4.35587  39.7824     48.4319     4.76627     228.432     
1 1 1 28 2  11 o 20.9414 6.54699 4.63986      4.16532  3.57648      4.16176  30.5019     352.723     15.7896     352.723     
1 1 1 28 2  12 o 18.0937 5.97829 -0.105508    4.42379  2.51666      3.97531  21.6678     0.387517    2.62118     0.387518    
1 1 1 28 2  13 o 17.1738 5.79376 0.192606     4.46685  0.240802     4.07067  20.5306     293.854     3.3492      293.854     
1 1 1 28 2  14 f 18.3564 6.05194 4.78661      4.44203  -2.10596     4.12047  29.9443     205.992     0           0           
1 1 1 28 2  15 o 18.1361 5.88748 -1.2718      4.03657  4.06847      3.80375  21.6823     9.42094     2.42834     9.42095     
1 1 1 28 2  16 o 24.2906 6.9625  7.016        4.12308  7.10124      3.99182  29.9116     322.96      1.67382     322.96      
1 1 1 28 2  17 o 16.6809 5.60755 -0.326592    3.99726  1.1335       3.87998  21.1108     336.48      9.14342     336.48      
1 1 1 28 2  18 o 16.2258 5.44944 1.94896      3.72867  -2.11906     3.76352  19.654      95.1587     7.67002     95.1587     
1 1 1 28 2  19 o 14.6134 5.05833 -0.739477    3.81142  -3.9017      3.85413  14.9856     267.548     2.57588     267.548     
1 1 1 28 2  20 o 16.0109 5.40048 0.011909     3.69778  0.0687639    3.70934  14.9161     53.4732     6.88829     53.4732     
1 1 1 28 2  21 o 21.5902 6.4029  7.266        3.75126  2.4051       3.84012  28.7746     73.1083     13.1837     73.1083     
1 1 1 28 2  22 f 18.0215 5.94009 -1.21504     3.81705  5.20863      4.3267   11.5707     37.8853     0           0           
1 1 1 28 2  23 o 18.227  5.973   3.19957      4.14199  2.27867      3.82392  21.2823     330.377     7.82093     330.377     
1 1 1 28 2  24 o 18.0918 5.83377 4.8744       3.63689  0.7354       3.80663  21.0776     170.777     3.81365     170.777     
1 1 1 28 2  25 o 15.0155 5.13728 0.0848307    3.66013  -0.0230107   3.6108   14.0293     321.591     7.11801     321.591     
1 1 1 28 2  26 o 14.3271 4.94254 -1.38831     3.53791  -0.153415    3.57634  16.1384     166.081     4.90702     166.081     
1 1 1 28 2  27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 2  28 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 3  0  o 13.3152 6.51049 -0.671372    4.53801  -0.671372    4.53801  17.8927     1.65122e-05 4.50903     1.65122e-05 
1 1 1 28 3  1  o 19.737  6.48164 1.04755      4.99874  3.3041       4.5807   17.0539     238.742     13.5366     58.7416     
1 1 1 28 3  2  o 18.0541 6.08481 0.113121     4.60147  0.387134     4.76105  24.1781     297.261     14.6559     297.261     
1 1 1 28 3  3  o 16.9498 5.76462 -2.58584     4.28572  0.634142     4.53403  18.1162     273.4       2.91274     93.4001     
1 1 1 28 3  4  o 18.4061 6.09768 -1.86582     4.1954   3.59867      4.55841  23.0323     100.715     4.19543     100.715     
1 1 1 28 3  5  o 21.7161 6.52141 7.04232      4.00892  0.34204      4.30405  21.0441     126.155     16.9414     126.155     
1 1 1 28 3  6  o 20.9027 6.45091 -0.626227    3.94848  7.19289      4.34929  29.4834     205.955     11.378      205.955     
1 1 1 28 3  7  o 20.6252 6.46653 2.77051      3.98156  4.44051      4.19344  29.6463     278.037     19.9319     278.037     
1 1 1 28 3  8  o 21.5662 6.55116 0.948191     4.00971  7.16273      4.21406  32.4532     280.507     21.4592     280.507     
1 1 1 28 3  9  o 21.4741 6.58609 2.54353      3.98699  6.11832      4.19076  29.2806     210.907     9.07426     210.907     
1 1 1 28 3  10 o 17.6754 5.83497 2.63968      3.87303  -1.32822     4.16684  22.9598     39.6528     13.3742     39.6528     
1 1 1 28 3  11 o 18.2189 5.97668 1.25319      3.94222  2.03166      4.07275  20.8393     10.6854     0.021553    10.6869     
1 1 1 28 3  12 o 16.3001 5.57    -0.367986    4.12289  -1.76811     4.39329  10.5945     16.103      17.2877     196.103     
1 1 1 28 3  13 o 17.8969 5.91656 1.65246      4.03518  1.05106      4.06964  22.5132     135.763     13.6814     135.763     
1 1 1 28 3  14 o 16.7541 5.61609 -5.33484     4.28873  3.21994      3.97072  20.4634     347.378     5.01336     347.378     
1 1 1 28 3  15 o 18.724  6.07183 3.3688       3.94343  1.59718      4.04375  23.8603     318.3       15.4198     318.3       
1 1 1 28 3  16 o 16.2523 5.51259 -0.456968    3.94158  0.0964974    4.01101  16.5187     98.1499     3.59717     278.15      
1 1 1 28 3  17 o 17.224  5.7212  -1.13486     3.97836  2.88053      3.89295  21.8114     310.738     12.0324     310.738     
1 1 1 28 3  18 o 18.6006 6.05022 -0.948355    3.83653  5.59632      4.28543  23.7475     343.906     13.2345     343.906     
1 1 1 28 3  19 o 18.3785 6.00587 3.40126      3.8824   1.3592       4.20005  18.9574     279.109     11.6742     279.109     
1 1 1 28 3  20 o 18.6064 6.0378  0.803643     4.4863   3.91454      3.71498  18.9958     129.851     3.0523      309.851     
1 1 1 28 3  21 o 16.9354 5.70954 1.30531      3.89456  0.122923     4.43101  17.2961     101.048     3.68766     101.048     
1 1 1 28 3  22 o 20.7839 6.36657 3.54903      3.79636  5.92663      3.80415  26.73       285.734     13.1118     285.734     
1 1 1 28 3  23 o 18.8302 5.94867 -1.30515     3.75862  6.62558      3.84854  22.2168     70.4766     12.1373     70.4766     
1 1 1 28 3  24 o 19.6277 6.1647  5.70065      3.80039  3.56871      3.69314  25.4413     313.791     14.4429     313.791     
1 1 1 28 3  25 o 17.3118 5.70178 3.72331      3.81002  1.89731      3.598    17.1966     65.7013     11.1355     65.7013     
1 1 1 28 3  26 o 14.4087 5.0008  -2.07761     4.10074  -0.34568     3.59433  13.8097     85.0425     7.87349     85.0425     
1 1 1 28 3  27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 4  0  o 19.9179 8.50742 5.47284      4.77733  5.47284      4.77733  34.3256     1.57956e-05 19.2122     1.57956e-05 
1 1 1 28 4  1  o 16.4896 5.67316 -2.32381     4.29405  -1.29495     4.85771  19.7733     70.14       11.8763     70.14       
1 1 1 28 4  2  o 19.7933 6.39912 -1.74069     4.35182  5.96345      4.68339  19.5165     307.333     8.2671      127.333     
1 1 1 28 4  3  o 20.1431 6.51186 3.80389      4.43483  2.10096      4.66326  21.3012     190.593     5.28291     10.5932     
1 1 1 28 4  4  o 20.7635 6.48972 -1.33153     4.04038  7.54997      4.58203  24.8814     4.87362     18.787      4.87362     
1 1 1 28 4  5  o 18.6179 6.15221 3.19677      4.33183  -0.914425    4.60697  25.6443     301.587     12.004      301.587     
1 1 1 28 4  6  o 14.9884 5.18561 -4.52223     3.86586  -1.29511     4.09151  12.0782     203.532     7.64476     203.532     
1 1 1 28 4  7  o 14.4759 5.05306 -3.90118     4.12571  -3.97214     4.03066  9.82605     355.504     6.10005     355.504     
1 1 1 28 4  8  o 18.4834 5.98468 -1.07561     3.96451  3.98165      3.95347  25.5004     344.608     13.3525     344.608     
1 1 1 28 4  9  o 22.7295 6.76793 5.39925      4.07318  5.51858      3.99844  33.6702     301.33      24.1        301.33      
1 1 1 28 4  10 o 16.5469 5.58618 -5.65612     4.03224  3.02825      4.16815  18.8124     88.0418     11.2313     88.0418     
1 1 1 28 4  11 o 15.8121 5.40218 -1.24231     3.86188  -1.25618     4.10682  18.9568     104.629     5.35816     104.629     
1 1 1 28 4  12 o 24.8572 7.07174 6.0027       4.04295  8.33492      4.28977  29.8704     170.854     0.115636    350.855     
1 1 1 28 4  13 o 17.7438 5.8183  3.46092      3.81444  -1.62541     4.07923  22.9564     73.0369     8.05414     73.0369     
1 1 1 28 4  14 o 16.0212 5.43882 -2.30651     3.79027  1.05096      3.99225  17.8193     188.761     0.569145    188.761     
1 1 1 28 4  15 o 16.613  5.62122 1.13252      3.85318  -1.32082     4.44879  15.7901     133.472     10.265      133.472     
1 1 1 28 4  16 o 19.3928 6.14341 5.73496      3.91725  -0.180748    4.11025  21.9933     344.474     15.7786     344.474     
1 1 1 28 4  17 o 16.4726 5.56207 -1.74542     3.92794  1.84218      4.01767  13.8366     3.4374      8.77773     3.4374      
1 1 1 28 4  18 o 16.9807 5.68148 1.5642       3.95428  0.333316     3.92978  11.8298     325.598     7.49573     325.598     
1 1 1 28 4  19 o 16.9931 5.68448 1.36715      3.96355  0.582334     3.91449  18.115      184.458     8.10598     184.458     
1 1 1 28 4  20 o 21.5238 6.44952 0.700958     4.0896   8.44419      4.0584   24.1702     125.739     16.1703     125.739     
1 1 1 28 4  21 o 16.1826 5.43624 -4.20967     3.93596  3.08055      3.76435  12.7371     211.527     5.49136     211.527     
1 1 1 28 4  22 o 17.3095 5.75796 1.37528      4.06791  1.96847      3.82832  19.0959     96.392      5.13493     96.392      
1 1 1 28 4  23 o 16.3678 5.59818 4.49269      4.64252  -2.95396     3.66925  12.3642     250.416     6.9262      250.416     
1 1 1 28 4  24 o 16.3566 5.48793 1.44028      3.69868  1.84744      3.74805  8.4881      259.691     5.49957     259.691     
1 1 1 28 4  25 o 15.8101 5.34181 0.819842     3.61679  1.51775      3.69377  14.1734     215.875     7.23551     35.8747     
1 1 1 28 4  26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 4  27 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 5  0  o 12.3992 6.11965 -1.39529     4.26406  -1.39529     4.26406  14.4334     180         0.64547     2.23119e-05 
1 1 1 28 5  1  f 18.2533 6.0459  -1.93881     4.40225  3.3797       4.334    25.1136     1.72816     0           0           
1 1 1 28 5  2  o 19.6762 6.36073 2.10742      4.33959  3.26789      4.29934  24.7054     86.9103     17.3885     86.9103     
1 1 1 28 5  3  o 17.0222 5.77817 -0.688083    4.63788  -0.381615    4.14898  22.0526     331.837     8.87565     331.837     
1 1 1 28 5  4  o 20.318  6.50635 4.12882      4.48523  2.64504      4.27309  29.1558     138.465     17.8949     138.465     
1 1 1 28 5  5  o 17.5352 5.88675 -1.85858     4.4643   1.98699      4.26264  23.1683     23.9187     11.6632     23.9187     
1 1 1 28 5  6  o 17.666  5.91761 -0.355528    4.4187   1.3661       4.21627  20.8194     150.14      1.9539      150.14      
1 1 1 28 5  7  o 17.1943 5.71393 2.53545      3.95778  -2.05398     3.8952   20.1521     22.1061     12.6814     22.1061     
1 1 1 28 5  8  o 18.1206 5.938   1.46631      3.90031  1.69567      3.97992  22.8638     198.113     5.77032     198.113     
1 1 1 28 5  9  o 14.3729 4.99647 -2.82828     3.85451  -3.66236     3.85141  16.1642     148.191     4.98492     148.191     
1 1 1 28 5  10 o 18.4684 5.93246 -2.0441      3.81539  4.93545      3.92911  24.9154     189.935     10.7784     189.935     
1 1 1 28 5  11 o 18.3694 6.03077 3.80603      3.9459   -1.80678     4.80388  24.6246     294.677     13.1173     294.677     
1 1 1 28 5  12 o 16.7254 5.63792 1.27343      3.83907  -1.68792     4.36997  17.806      328.786     2.00283     148.786     
1 1 1 28 5  13 o 16.9628 5.71118 1.44763      4.11763  -0.694393    4.11525  21.5759     2.19859     9.28523     2.19859     
1 1 1 28 5  14 o 15.3756 5.2819  -1.50404     3.80111  -1.2687      4.08338  14.7276     105.36      8.70065     105.36      
1 1 1 28 5  15 o 19.2177 6.14168 1.11573      4.00079  4.82205      3.9323   26.0301     156.616     10.6491     156.616     
1 1 1 28 5  16 o 16.2585 5.49988 0.521895     3.89164  -0.566754    3.91823  14.0849     302.911     8.81976     122.911     
1 1 1 28 5  17 o 17.5415 5.76589 -2.83923     4.00639  4.52329      3.92752  21.2149     337.022     9.87662     337.022     
1 1 1 28 5  18 o 15.9118 5.44178 -2.64643     4.15765  0.943491     4.05216  15.3317     230.175     6.52349     230.175     
1 1 1 28 5  19 o 24.3485 7.12849 6.74709      4.96632  8.75063      4.15368  31.7648     167.501     8.66421     167.501     
1 1 1 28 5  20 o 19.7355 6.33756 4.08288      4.31507  3.86993      4.06759  20.4297     223.443     2.24123     43.4433     
1 1 1 28 5  21 o 18.0393 5.91163 1.70588      3.9138   3.1146       3.91725  12.6775     138.737     7.69208     138.737     
1 1 1 28 5  22 o 16.4416 5.57415 0.758787     4.2879   0.908769     3.83837  9.92033     133.823     5.72718     133.823     
1 1 1 28 5  23 o 14.5609 5.03482 -1.16029     3.7468   -0.862464    3.76059  12.6779     152.557     5.53955     152.557     
1 1 1 28 5  24 o 17.2624 5.72886 3.91576      3.80191  1.34698      4.02629  20.811      287.815     5.35014     287.815     
1 1 1 28 5  25 o 16.1326 5.43731 2.73873      3.78379  0.0310786    3.72542  18.6602     0.978077    11.1876     0.978077    
1 1 1 28 5  26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 6  0  o 36.8203 8.37065 12.1177      4.1874   12.1177      4.1874   67.5809     360         63.1509     360         
1 1 1 28 6  1  o 18.4071 6.04308 4.7235       4.39291  -2.58028     4.04791  15.8688     63.4149     11.5479     63.4149     
1 1 1 28 6  2  o 15.1368 5.23939 -4.35685     4.30028  -1.523       3.96762  15.5781     20.1232     8.80676     20.1232     
1 1 1 28 6  3  o 26.1337 7.3285  10.4349      4.60608  5.73573      4.43477  41.2191     301.995     22.7783     301.995     
1 1 1 28 6  4  o 18.086  6.0334  -0.0122127   4.305    2.19994      4.46325  22.69       129.774     13.9899     129.774     
1 1 1 28 6  5  o 16.474  5.65532 -0.67257     4.72077  -1.73255     4.25012  18.814      0.506752    10.8664     0.506752    
1 1 1 28 6  6  o 17.0387 5.79992 0.0324522    4.28175  -0.795006    4.73398  20.8014     181.888     11.5464     181.888     
1 1 1 28 6  7  f 21.355  6.76743 4.68195      4.42602  4.80195      4.78103  27.376      219.26      0           0           
1 1 1 28 6  8  o 21.0982 6.65958 4.43561      4.37478  4.50556      4.43624  30.5222     199.774     16.9877     199.774     
1 1 1 28 6  9  o 17.99   5.98463 3.8403       4.38087  -2.22486     4.33413  18.6129     36.5014     12.6555     36.5014     
1 1 1 28 6  10 o 18.4828 6.12292 3.6173       4.35427  -0.443127    4.57182  22.2776     54.948      3.23539     54.948      
1 1 1 28 6  11 o 18.5175 6.11945 2.55317      4.32298  1.61496      4.33687  22.4783     273.368     14.5855     273.368     
1 1 1 28 6  12 o 16.2686 5.55754 -5.62103     4.43912  2.42774      4.25841  17.083      134.768     2.02266     314.768     
1 1 1 28 6  13 o 26.6344 7.53256 10.2554      4.76537  8.99349      4.5938   37.4352     196.277     12.0934     196.277     
1 1 1 28 6  14 o 19.6911 6.34755 0.447353     4.67231  5.8109       4.2616   13.9134     251.847     10.5622     251.847     
1 1 1 28 6  15 o 16.7644 5.70269 -0.652735    4.84902  0.729162     3.92194  19.0778     148.999     10.1209     148.999     
1 1 1 28 6  16 o 17.689  5.8977  4.39061      4.45529  -1.41625     3.88197  21.2121     238.551     6.85609     238.551     
1 1 1 28 6  17 o 14.786  5.10495 -2.73306     3.89329  -1.13807     3.76209  10.6687     222.475     4.62291     222.475     
1 1 1 28 6  18 o 16.5687 5.55539 1.62805      3.76076  -0.706751    3.91068  16.5889     318.887     5.97658     318.887     
1 1 1 28 6  19 o 19.474  6.20493 2.88867      4.01465  4.35823      3.88191  21.8624     278.394     3.0666      278.394     
1 1 1 28 6  20 o 20.4613 6.4453  2.25548      3.87845  7.16774      4.40383  25.1972     219.825     13.4331     219.825     
1 1 1 28 6  21 o 15.6637 5.33355 -0.513535    3.75245  0.419825     3.8568   14.7158     123.689     5.87565     123.689     
1 1 1 28 6  22 o 12.6255 4.47335 -4.17552     3.62418  -5.19831     3.82462  9.07475     13.8355     2.03655     13.8355     
1 1 1 28 6  23 o 15.0301 5.157   0.657463     3.7134   -0.815223    3.76363  16.5189     119.372     4.42822     119.372     
1 1 1 28 6  24 o 19.4217 6.04647 8.29397      3.87998  -0.255441    3.85082  27.3532     156.521     15.4941     156.521     
1 1 1 28 6  25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 6  26 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 7  0  f 14.7667 6.91729 1.69305      4.13243  1.69305      4.13243  6.61216     2.22251e-05 0           0           
1 1 1 28 7  1  o 19.7221 6.27754 4.94681      4.11576  0.954928     4.05201  25.5029     144.37      6.76946     144.37      
1 1 1 28 7  2  o 18.9709 6.17362 -1.71355     4.52477  4.951        4.24265  24.2161     16.2221     6.45011     16.2221     
1 1 1 28 7  3  o 17.5188 5.96568 -0.148695    4.6805   0.302488     4.84495  17.1829     95.3898     5.8069      275.39      
1 1 1 28 7  4  o 18.4512 6.11249 5.25693      4.63821  -3.38404     4.36257  24.5041     19.7024     10.7852     19.7024     
1 1 1 28 7  5  o 18.0798 6.10137 3.54849      4.73202  -3.08091     5.04718  22.6504     308.963     6.28645     308.963     
1 1 1 28 7  6  o 19.4799 6.58166 -0.329617    5.30686  5.17411      5.76838  25.4944     326.339     15.4396     326.339     
1 1 1 28 7  7  o 21.5824 6.78282 2.5869       4.33329  7.40812      4.7928   28.5664     51.0288     8.06519     51.0288     
1 1 1 28 7  8  o 16.8146 5.76048 -1.53992     4.47471  0.377355     4.72417  12.8847     358.317     8.68852     358.317     
1 1 1 28 7  9  o 19.661  6.39944 4.69826      4.60173  1.94639      4.34635  27.168      179.905     14.0548     179.905     
1 1 1 28 7  10 o 13.9308 4.92856 -3.21428     4.51514  -7.48913     4.18704  14.8064     40.7024     5.18871     40.7024     
1 1 1 28 7  11 o 14.5719 5.15743 -3.06655     5.15644  -6.35168     4.28224  14.7105     234.123     1.60317     54.123      
1 1 1 28 7  12 o 25.2957 7.21853 6.43205      4.56112  9.95012      4.38697  39.9725     331.61      28.2243     331.61      
1 1 1 28 7  13 o 20.1604 6.46848 1.87316      4.4018   6.089        4.45852  27.8304     345.809     14.0696     345.809     
1 1 1 28 7  14 o 18.7362 6.1891  3.99291      4.35312  1.09932      4.60297  21.1472     174.768     13.2306     174.768     
1 1 1 28 7  15 o 17.4907 5.93135 1.50945      4.28778  0.482302     4.98635  18.1557     5.83864     9.84289     5.83864     
1 1 1 28 7  16 o 17.2597 5.8511  1.42428      4.26247  0.070559     4.73386  14.8761     146.073     8.12079     146.073     
1 1 1 28 7  17 o 17.6331 6.02758 2.46068      5.31     -0.293191    4.5547   8.21469     202.446     4.79805     202.446     
1 1 1 28 7  18 o 17.1718 5.81083 1.19794      4.15321  0.718952     4.59705  5.55086     305.877     3.11489     305.877     
1 1 1 28 7  19 o 17.4224 5.8526  1.00509      4.23624  2.09837      4.28709  18.7951     202.954     6.05522     202.954     
1 1 1 28 7  20 o 20.1892 6.26839 4.63616      3.81167  4.7011       3.68982  26.1269     96.1109     12.7335     96.1109     
1 1 1 28 7  21 o 14.7478 5.08239 -0.766145    3.81308  -0.749       3.65475  10.9819     182.28      10.0784     2.28029     
1 1 1 28 7  22 o 17.3924 5.7365  3.96767      3.8197   1.67422      3.75711  20.844      255.257     11.2834     255.257     
1 1 1 28 7  23 o 14.2024 4.92845 -1.4118      3.65451  -0.960961    3.73451  15.7586     284.772     5.57919     284.772     
1 1 1 28 7  24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 7  25 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 8  0  o 11.2089 5.61618 -2.55054     4.03448  -2.55054     4.03448  4.67213     4.33333e-05 1.82346     4.33333e-05 
1 1 1 28 8  1  o 17.5568 5.97133 -3.18582     4.5229   3.29305      4.93828  14.0041     211.644     9.68233     211.644     
1 1 1 28 8  2  o 15.0974 5.27134 -3.50841     4.17213  -3.02605     4.68918  15.9138     257.458     8.1991      257.458     
1 1 1 28 8  3  o 16.8225 5.72718 -1.94211     4.67357  0.89412      4.21622  18.9203     25.7552     0.924205    25.7552     
1 1 1 28 8  4  o 19.7665 6.40867 -1.42343     5.28077  5.95051      4.38015  11.3272     139.327     8.65055     139.327     
1 1 1 28 8  5  o 16.5531 5.73639 -2.65995     5.3007   -0.646689    4.6889   18.1185     116.968     10.5903     116.968     
1 1 1 28 8  6  o 18.6194 6.24933 -3.06137     5.32962  5.02938      4.84089  24.1172     112.949     13.9523     112.949     
1 1 1 28 8  7  o 19.7236 6.49947 2.09166      4.91634  4.80942      4.80693  25.3151     316.242     7.1178      316.242     
1 1 1 28 8  8  o 18.4178 6.17032 -0.636322    4.71309  4.15783      4.74426  21.154      147.356     1.02308     147.356     
1 1 1 28 8  9  o 17.998  6.04769 -2.03402     4.3022   4.67914      4.81402  19.7859     274.628     0.941841    94.6278     
1 1 1 28 8  10 o 18.8715 6.05888 -6.30936     4.46728  7.3653       4.30939  25.0561     196.947     15.311      196.947     
1 1 1 28 8  11 o 18.8702 6.27701 0.381416     4.57815  4.79529      4.82783  24.5921     354.88      10.4778     354.88      
1 1 1 28 8  12 o 16.988  5.78773 1.58323      4.34426  -1.3586      4.77239  19.5186     136.16      9.47571     136.16      
1 1 1 28 8  13 o 19.8323 6.44226 3.8558       4.30872  4.17538      4.68685  24.9369     334.082     14.0679     334.082     
1 1 1 28 8  14 o 16.3984 5.61503 0.148547     4.16624  -0.891933    4.60408  17.2205     240.238     5.73405     240.238     
1 1 1 28 8  15 o 16.8697 5.70595 2.53149      4.25949  -1.95988     4.21053  17.5881     153.215     2.81251     153.215     
1 1 1 28 8  16 f 17.8191 5.961   1.66237      4.35703  1.89406      4.30732  10.3161     304.624     0           0           
1 1 1 28 8  17 o 23.9117 6.99463 4.65412      4.40822  10.1591      4.41235  30.5911     337.142     8.04687     337.142     
1 1 1 28 8  18 o 19.2678 6.16794 -2.46323     4.47758  7.39562      4.23332  23.3139     308.387     9.84102     308.387     
1 1 1 28 8  19 o 16.7495 5.67363 0.49534      4.15384  2.02198      4.21377  9.22648     188.081     5.55146     188.081     
1 1 1 28 8  20 o 16.4486 5.6772  1.69013      5.21344  0.562209     4.18926  13.9174     212.17      7.94029     212.17      
1 1 1 28 8  21 o 18.1647 6.03607 3.40428      4.18712  4.40222      4.42319  15.32       91.2001     10.5492     91.2001     
1 1 1 28 8  22 o 15.8487 5.45392 1.14062      4.21055  0.321891     4.31225  14.0748     352.369     9.00049     352.369     
1 1 1 28 8  23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 8  24 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 9  0  o 12.7619 6.36187 -1.53806     4.96372  -1.53806     4.96372  13.0075     180         5.41845     180         
1 1 1 28 9  1  o 18.2957 6.05844 -1.75584     4.34884  4.83111      4.43732  18.1328     17.3774     12.578      17.3774     
1 1 1 28 9  2  o 17.9134 5.96505 -2.62976     4.55006  4.30979      4.31398  22.0048     195.442     5.23815     195.442     
1 1 1 28 9  3  o 17.1848 5.90592 0.575452     5.4874   -0.387547    4.3672   14.8206     241.198     9.8299      61.1975     
1 1 1 28 9  4  o 22.1111 6.97124 10.564       5.37219  1.74323      4.39073  30.9316     199.158     13.1304     199.158     
1 1 1 28 9  5  o 27.6713 7.84263 13.1169      5.56216  9.32326      4.59047  37.3955     9.70187     9.40888     9.70187     
1 1 1 28 9  6  o 20.7272 6.6567  11.1835      5.34647  -5.64072     4.91879  23.2643     261.135     1.35674     81.1349     
1 1 1 28 9  7  o 17.9056 6.12184 0.502977     4.91943  1.62594      5.34212  12.5835     1.15482     8.83665     1.15482     
1 1 1 28 9  8  o 16.2193 5.64521 -4.44029     4.03452  2.23896      5.33055  18.4296     327.074     8.70369     327.074     
1 1 1 28 9  9  o 16.4565 5.62125 0.369481     4.03429  -1.06609     4.66143  16.1611     221.331     9.16878     221.331     
1 1 1 28 9  10 o 16.892  5.73186 -1.09742     3.91175  2.252        4.60154  18.5349     303.57      9.12192     303.57      
1 1 1 28 9  11 o 14.4521 5.025   -1.44915     3.90542  -3.94794     3.90712  12.9858     234.029     2.82026     54.0289     
1 1 1 28 9  12 f 21.1182 6.57572 5.94096      4.26133  4.19672      4.05386  26.0982     66.3265     0           0           
1 1 1 28 9  13 o 20.1476 6.319   5.72012      3.98593  2.28414      3.96309  22.7545     279.823     13.5975     279.823     
1 1 1 28 9  14 o 15.7142 5.36549 -3.93169     3.86065  1.89123      4.02346  14.4444     19.7101     0.868516    19.7101     
1 1 1 28 9  15 o 16.5282 5.61124 2.64948      4.30505  -2.30222     3.96534  15.6639     12.1972     4.93947     12.1972     
1 1 1 28 9  16 o 16.1243 5.46312 -0.592769    3.90877  0.950666     3.87214  15.5225     237.588     5.07585     237.588     
1 1 1 28 9  17 o 15.5614 5.31872 0.905084     3.9293   -1.60058     3.81808  15.5183     336.049     3.11577     336.049     
1 1 1 28 9  18 o 16.6316 5.62302 -3.28241     4.29231  4.43121      4.14977  18.151      330.125     7.55169     330.125     
1 1 1 28 9  19 o 13.8472 4.88452 -2.88319     4.32338  -3.29026     4.10002  11.0684     207.172     4.65038     207.172     
1 1 1 28 9  20 f 14.3837 5.03089 -3.28816     4.1453   -0.228808    4.09604  3.37296     275.975     0           0           
1 1 1 28 9  21 o 15.9303 5.46745 1.56826      4.11444  0.0452782    4.32474  19.5438     205.259     7.58739     205.259     
1 1 1 28 9  22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 9  23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 10 0  o 14.3601 7.0073  0.777021     5.19253  0.777021     5.19253  17.4736     180         1.36923     180         
1 1 1 28 10 1  o 15.4874 5.45753 0.0638394    5.21806  -8.3223      4.99998  10.9688     12.168      6.51495     12.168      
1 1 1 28 10 2  o 16.6053 5.68036 1.00977      4.36867  -1.79381     4.57919  18.9265     307.065     9.60152     307.065     
1 1 1 28 10 3  o 16.2217 5.63646 -1.52199     4.73328  -1.58837     5.03543  9.85729     91.3073     6.22277     91.3073     
1 1 1 28 10 4  o 17.561  6.04758 0.21143      5.31153  0.656027     5.21318  7.95935     176.905     5.40054     176.905     
1 1 1 28 10 5  o 15.1169 5.28649 -2.343       4.51164  -3.61928     4.56865  10.0098     239.465     5.49656     239.465     
1 1 1 28 10 6  o 15.5876 5.40579 2.15455      4.42112  -9.03665     4.71201  16.6021     151.359     4.14097     151.359     
1 1 1 28 10 7  o 17.7805 5.97222 0.203403     4.60945  2.69155      4.3441   18.2204     13.534      10.3739     13.534      
1 1 1 28 10 8  o 21.0304 6.6746  6.96945      4.60141  3.26167      4.48997  27.1966     212.344     15.5445     212.344     
1 1 1 28 10 9  o 18.0016 5.98169 3.01434      4.10779  0.600879     4.46961  19.4724     352.329     1.46709     352.329     
1 1 1 28 10 10 o 17.9308 5.9714  0.270175     4.31039  3.19407      4.27113  18.8339     271.62      8.80481     271.62      
1 1 1 28 10 11 o 16.0405 5.48465 -0.999868    4.32267  -0.088801    3.96208  13.1853     248.42      5.07041     248.42      
1 1 1 28 10 12 o 15.8826 5.40908 0.861315     3.91453  -1.77939     3.96409  9.7239      147.449     4.07254     147.449     
1 1 1 28 10 13 o 16.1384 5.47488 0.33767      3.92449  -0.140405    3.92991  14.7262     75.0087     4.7277      75.0087     
1 1 1 28 10 14 o 17.3396 5.78095 0.739846     4.02667  2.47647      4.01729  14.7208     351.191     7.8276      351.191     
1 1 1 28 10 15 o 16.056  5.48708 -1.22734     4.53262  1.00802      3.84736  16.3916     256.553     4.34978     256.553     
1 1 1 28 10 16 o 16.6749 5.61982 -1.18691     3.94515  3.70053      4.1081   17.3773     306.572     8.18639     306.572     
1 1 1 28 10 17 o 16.0831 5.43494 -1.5882      3.98747  3.17254      3.78043  17.9538     262.691     5.3181      262.691     
1 1 1 28 10 18 o 16.3017 5.50522 3.89073      3.97079  -1.30946     3.87191  11.4909     8.44365     7.44259     8.44365     
1 1 1 28 10 19 o 17.8466 5.86841 4.72933      3.83457  1.83088      4.12756  23.0568     303.873     12.9255     303.873     
1 1 1 28 10 20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 10 21 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 11 0  f 10.1112 5.22297 -7.55682     4.96235  -7.55682     4.96235  1.80926     180         0           0           
1 1 1 28 11 1  o 21.1521 6.93262 11.8811      5.93558  -1.77223     5.18073  26.8596     287.691     10.4173     287.691     
1 1 1 28 11 2  o 17.0495 5.8551  -4.58245     4.7077   3.72946      4.982    9.92934     119.167     5.83299     119.167     
1 1 1 28 11 3  o 15.6267 5.39646 -1.86915     4.56383  -1.03122     4.01095  7.47909     36.8981     3.89644     36.8981     
1 1 1 28 11 4  o 19.6628 6.31886 0.0573184    4.43557  6.40638      4.3201   24.0676     334.104     10.5597     334.104     
1 1 1 28 11 5  o 17.8906 6.04426 0.151824     4.71719  2.76266      4.67895  19.6095     28.4656     7.07349     28.4656     
1 1 1 28 11 6  o 18.0229 6.10915 0.962589     4.62001  2.37471      5.08823  17.9518     246.457     8.59925     246.457     
1 1 1 28 11 7  o 19.3329 6.40607 1.81319      4.97015  4.80676      4.73325  11.2746     291.536     7.19408     291.536     
1 1 1 28 11 8  f 17.6472 5.9952  -1.65951     4.58503  3.79844      4.90637  11.1862     111.033     0           0           
1 1 1 28 11 9  o 19.1449 6.30662 -0.204642    4.13748  6.78172      4.92006  21.4016     140.601     8.0917      140.601     
1 1 1 28 11 10 o 15.7243 5.42478 -1.32271     4.02665  -0.635219    4.52081  8.85624     278.889     3.94225     278.889     
1 1 1 28 11 11 o 16.1949 5.53357 0.77621      4.00843  -1.15848     4.43781  15.7647     209.776     4.21952     209.776     
1 1 1 28 11 12 o 16.6224 5.61951 1.15888      4.06109  0.535943     4.05819  13.8895     167.137     7.01054     167.137     
1 1 1 28 11 13 o 15.9063 5.48893 1.32581      4.42461  -1.98237     4.37845  8.99545     336.748     4.90728     336.748     
1 1 1 28 11 14 f 16.3804 5.56609 -1.48889     4.51606  2.84538      3.94675  8.49279     111.439     0           0           
1 1 1 28 11 15 o 17.2347 5.80461 2.9496       4.52603  2.30797      3.97007  17.6016     11.175      2.00266     191.175     
1 1 1 28 11 16 o 18.1058 5.94632 1.61341      4.19135  5.39405      3.97622  21.4334     269.624     12.9966     269.624     
1 1 1 28 11 17 o 12.73   4.5207  -3.90476     4.02169  -5.18423     3.73655  12.4087     212.522     3.38235     212.522     
1 1 1 28 11 18 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 11 19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 12 0  o 16.6731 7.65882 3.77245      4.70665  3.77245      4.70665  15.6895     1.44403e-05 7.19482     1.44403e-05 
1 1 1 28 12 1  o 18.2192 6.1281  2.46585      4.68822  1.9064       4.71597  18.476      303.005     7.47036     303.005     
1 1 1 28 12 2  o 16.5533 5.67403 -1.3102      4.8047   0.827715     4.27021  15.3981     133.616     0.845349    313.616     
1 1 1 28 12 3  o 16.817  5.76453 2.59101      4.85124  -2.20162     4.31061  15.0898     116.923     5.55723     116.923     
1 1 1 28 12 4  o 17.0149 5.70022 -2.57729     4.18705  3.57977      4.05244  17.0123     136         1.82035     136         
1 1 1 28 12 5  o 18.2072 6.05766 0.413256     4.93821  3.66031      4.10133  18.4142     333.473     0.68515     153.473     
1 1 1 28 12 6  o 18.4347 6.14978 6.23479      4.76725  -2.26478     4.60508  16.7303     15.951      9.18771     15.951      
1 1 1 28 12 7  o 22.649  6.81857 11.6497      4.7914   0.972545     4.31119  27.9911     306.722     6.58086     306.722     
1 1 1 28 12 8  o 21.6677 6.72005 1.38018      4.79689  9.77341      4.58969  23.5815     318.822     15.9611     318.822     
1 1 1 28 12 9  o 15.126  5.29306 -4.75854     4.11626  0.852153     4.75798  14.2735     150.748     2.00972     150.748     
1 1 1 28 12 10 o 16.3925 5.64399 -3.70143     4.09299  4.44037      4.81966  16.1555     27.9797     7.11981     27.9797     
1 1 1 28 12 11 o 17.9517 6.03425 1.62581      4.14002  4.97121      4.86821  20.2001     355.102     3.45168     355.102     
1 1 1 28 12 12 o 15.7442 5.46512 -1.69416     4.01382  2.30078      4.88707  4.59896     177.435     2.82644     177.435     
1 1 1 28 12 13 o 14.9622 5.1818  1.84405      3.96573  -4.16063     4.25451  15.8678     259.559     5.58983     259.559     
1 1 1 28 12 14 o 15.4453 5.32668 -0.698237    4.06563  1.14617      4.17239  15.9943     177.289     8.51869     177.289     
1 1 1 28 12 15 o 19.6085 6.18796 0.249479     4.43493  8.29933      4.02055  27.2598     231.98      15.999      231.98      
1 1 1 28 12 16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 12 17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 13 0  o 14.3262 6.89171 1.73215      4.63558  1.73215      4.63558  13.1182     180         4.63396     180         
1 1 1 28 13 1  o 15.2307 5.28391 -4.44437     4.36101  1.0431       4.20949  8.73849     154.394     4.24605     154.394     
1 1 1 28 13 2  o 19.5657 6.36425 5.46619      4.49393  3.72597      4.32383  23.2569     338.065     6.50304     338.065     
1 1 1 28 13 3  o 17.8207 6.02434 4.60753      4.71753  0.117744     4.68661  8.61457     301.949     5.5081      301.949     
1 1 1 28 13 4  o 16.7896 5.66935 3.51483      4.1637   -1.07654     4.1434   17.7619     8.56562     2.30595     8.56562     
1 1 1 28 13 5  o 16.2463 5.60383 -0.933005    4.2517   1.98031      4.799    13.7584     351.366     7.10019     351.366     
1 1 1 28 13 6  o 17.1224 5.81097 2.35381      4.78943  1.85144      4.09142  16.2386     2.08676     4.17819     182.087     
1 1 1 28 13 7  o 15.1743 5.3196  -0.897856    5.31578  -1.48371     4.0403   9.37989     274.523     14.5314     94.5235     
1 1 1 28 13 8  o 17.6262 5.91842 -4.11762     4.78042  7.241        4.53596  17.4845     180.072     10.5866     180.072     
1 1 1 28 13 9  o 14.7889 5.1808  -5.48052     4.28788  1.77919      4.46018  13.0853     112.904     6.34216     112.904     
1 1 1 28 13 10 o 17.4012 5.85667 3.07506      4.1024   2.86897      4.54245  20.8174     118.756     6.31788     118.756     
1 1 1 28 13 11 o 15.5113 5.35377 -4.87726     4.07839  3.96461      4.29956  17.7758     108.692     5.5971      108.692     
1 1 1 28 13 12 o 19.3426 6.21085 6.75809      4.10043  2.95608      4.09483  26.4957     16.9712     15.0061     16.9712     
1 1 1 28 13 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 13 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 13 15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 14 0  o 13.3911 6.55147 1.10184      4.61222  1.10184      4.61222  14.9049     180         4.76262     180         
1 1 1 28 14 1  o 16.6912 5.67887 -1.10263     4.43849  4.22174      4.3074   18.5999     233.278     9.66042     233.278     
1 1 1 28 14 2  o 19.2318 6.2723  6.93531      4.40605  3.13531      4.3347   22.4118     115.739     14.5829     115.739     
1 1 1 28 14 3  o 14.6203 5.12146 1.59285      4.35912  -5.39348     4.18371  13.891      57.7138     6.52984     57.7138     
1 1 1 28 14 4  o 20.5379 6.64015 5.17761      4.63278  8.70476      4.81849  23.6167     108.316     1.70601     108.316     
1 1 1 28 14 5  o 17.7368 5.9149  1.96501      4.29072  4.66956      4.18978  20.7262     45.1228     3.93316     45.1227     
1 1 1 28 14 6  o 17.9295 6.0283  0.53248      4.83198  6.03946      4.5232   21.9914     134.913     6.82738     134.913     
1 1 1 28 14 7  o 17.8617 5.9625  1.31242      4.78659  5.0311       4.12173  20.3983     65.1268     13.3383     65.1268     
1 1 1 28 14 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 14 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 14 10 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 14 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 15 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 15 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 15 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 15 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 15 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 15 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 28 15 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 0  1  o 10.7091 5.41977 -3.58378     4.12511  -3.58378     4.12511  9.21312     90          2.44973     90          
1 1 1 29 0  2  f 15.7633 7.22466 2.74883      4.15589  2.74883      4.15589  8.5998      5.5269e-06  0           0           
1 1 1 29 0  3  o 13.3194 6.45079 0.274265     4.21207  0.274265     4.21207  12.3997     270         10.1793     90          
1 1 1 29 0  4  o 18.8783 8.0258  5.03164      4.21164  5.03164      4.21164  16.514      360         12.8928     360         
1 1 1 29 0  5  o 12.9401 6.30479 -0.0954005   4.16537  -0.0954005   4.16537  15          270         7.05197     270         
1 1 1 29 0  6  o 10.03   5.11887 -4.64716     4.03542  -4.64716     4.03542  8.40232     180         0.815383    180         
1 1 1 29 0  7  o 11.017  5.54246 -2.78949     4.07303  -2.78949     4.07303  2.96272     270         1.27428     270         
1 1 1 29 0  8  o 11.7117 5.82748 -1.69479     4.1044   -1.69479     4.1044   6.88447     9.46428e-06 3.28192     9.46428e-06 
1 1 1 29 0  9  o 13.6823 6.56739 0.835552     4.16178  0.835552     4.16178  14.402      270         6.70046     90          
1 1 1 29 0  10 o 24.401  8.87962 8.01219      4.26015  8.01219      4.26015  36.682      180         8.20729     180         
1 1 1 29 0  11 o 10.431  5.28024 -3.41912     3.92447  -3.41912     3.92447  7.98577     270         1.21294     90          
1 1 1 29 0  12 o 18.7782 7.95897 5.05305      4.11694  5.05305      4.11694  17.4379     180         12.6201     180         
1 1 1 29 0  13 o 10.6617 5.4089  -3.73916     4.21346  -3.73916     4.21346  0.544837    89.9998     0.0164955   270         
1 1 1 29 0  14 f 24.474  8.79739 7.93338      4.15042  7.93338      4.15042  6.57872     180         0           0           
1 1 1 29 0  15 o 11.8194 5.86154 -1.30923     4.04895  -1.30923     4.04895  1.50084     90          0.0517781   90          
1 1 1 29 0  16 o 10.893  5.47756 -2.56428     3.9617   -2.56428     3.9617   6.55229     0           3.97151     180         
1 1 1 29 0  17 o 10.9102 5.47678 -2.32065     3.90007  -2.32065     3.90007  3.79059     270         0.251203    90          
1 1 1 29 0  18 o 12.3964 6.04311 0.100615     3.83908  0.100615     3.83908  3.54604     360         1.28959     360         
1 1 1 29 0  19 o 14.7422 6.85113 2.6813       3.92888  2.6813       3.92888  8.96857     270         5.36512     270         
1 1 1 29 0  20 o 16.782  7.43715 4.43031      3.98016  4.43031      3.98016  23.0196     180         14.7788     180         
1 1 1 29 0  21 o 12.4046 6.05025 0.468477     3.86005  0.468477     3.86005  0.188974    270.001     0.1091      270.001     
1 1 1 29 0  22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 0  23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 1  0  o 27.8906 9.17562 9.50362      4.37504  9.50362      4.37504  34.7269     90          5.33765     270         
1 1 1 29 1  1  o 18.6866 6.09055 -1.04809     4.16946  5.0242       4.23085  18.6127     92.106      8.26468     272.106     
1 1 1 29 1  2  o 20.0372 6.45684 1.6493       4.26826  5.82387      4.59059  29.0139     96.4814     13.2222     96.4815     
1 1 1 29 1  3  o 20.3527 6.34358 7.52849      4.22637  -1.08738     4.23026  26.2983     287.294     3.90623     287.294     
1 1 1 29 1  4  o 14.289  5.00344 -4.16348     4.1625   -3.28527     4.06885  16.683      340.245     3.67673     340.245     
1 1 1 29 1  5  o 16.2966 5.54434 2.1383       4.17293  -3.69383     4.12143  15.4885     11.7715     10.2241     11.7715     
1 1 1 29 1  6  o 20.1335 6.29876 7.30156      4.16608  -1.11859     4.26382  29.8009     13.1338     18.907      13.1338     
1 1 1 29 1  7  o 15.2427 5.26484 -1.9138      4.13765  -1.7462      4.00751  11.466      5.79073     7.41318     5.79073     
1 1 1 29 1  8  o 16.2943 5.549   1.14935      4.15336  -2.03827     4.1291   7.53726     347.683     25.1544     167.683     
1 1 1 29 1  9  o 18.7589 6.09327 0.33539      4.1305   4.63496      4.09262  15.3374     322.624     11.2866     322.624     
1 1 1 29 1  10 o 19.3639 6.21266 1.43643      4.10674  4.99668      4.07036  26.3027     353.827     9.25015     353.827     
1 1 1 29 1  11 o 18.1643 6.02063 1.58891      4.12354  2.75787      4.34873  21.4262     164.983     1.49648     164.983     
1 1 1 29 1  12 f 18.4214 6.01845 1.09906      4.06028  3.76547      4.02133  15.4565     174.677     0           0           
1 1 1 29 1  13 o 16.8813 5.66539 2.00835      3.95151  -0.716839    4.06529  19.5697     208.252     7.14482     208.252     
1 1 1 29 1  14 o 20.2871 6.28139 7.8036       4.14997  -0.821953    3.98935  26.7761     111.799     10.0118     111.799     
1 1 1 29 1  15 o 15.0016 5.18288 -0.259716    3.96789  -3.46029     3.95621  13.4393     288.33      2.7532      288.33      
1 1 1 29 1  16 o 17.7266 5.87107 -0.320064    4.11214  3.77155      4.06401  19.7726     214.415     9.10526     214.415     
1 1 1 29 1  17 o 16.6609 5.61182 -0.697748    4.0327   2.22614      3.97077  18.7766     50          6.65293     50          
1 1 1 29 1  18 o 16.7436 5.59664 -1.74946     3.83753  3.94153      3.9297   14.6282     117.837     8.65741     117.837     
1 1 1 29 1  19 o 15.9409 5.46475 -0.601934    4.493    1.48777      3.95275  18.2295     214.856     2.97648     214.856     
1 1 1 29 1  20 o 17.0663 5.70439 2.6837       3.97546  2.36082      3.92633  22.1197     352.369     9.78874     352.369     
1 1 1 29 1  21 o 14.6509 5.08101 -1.39847     4.03602  -0.290305    3.80693  15.3503     341.744     8.74008     341.744     
1 1 1 29 1  22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 1  23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 2  0  o 10.5248 5.34411 -3.98655     4.15153  -3.98655     4.15153  10.6449     270         0.910852    90          
1 1 1 29 2  1  o 15.1237 5.26212 -2.54457     4.42232  -2.7245      4.17956  17.0741     116.081     0.35988     116.081     
1 1 1 29 2  2  o 13.2694 4.70847 -1.53319     4.05797  -12.25       4.07709  14.4654     151.504     4.91678     151.504     
1 1 1 29 2  3  o 17.4044 5.84312 1.62015      4.22248  0.330541     4.25965  23.4882     97.1273     9.68102     97.1273     
1 1 1 29 2  4  o 19.9256 6.38344 6.23319      4.30014  0.339085     4.58096  15.4108     48.6372     18.7785     228.637     
1 1 1 29 2  5  o 15.2965 5.28911 -2.01898     4.10671  -1.77225     4.17603  16.6318     89.1318     9.58434     89.1318     
1 1 1 29 2  6  o 17.6035 5.86477 3.0432       4.19827  -0.546748    4.08924  20.1347     143.503     1.16395     323.503     
1 1 1 29 2  7  o 15.3441 5.30202 -0.678787    4.20157  -2.97546     4.06915  16.5421     102.464     9.63724     102.464     
1 1 1 29 2  8  o 20.5963 6.52042 3.12482      4.27624  5.78388      4.31088  22.3518     119.46      5.51457     299.46      
1 1 1 29 2  9  o 22.1237 6.75791 5.97001      4.17932  5.67769      4.2435   29.7289     26.3036     6.7844      26.3036     
1 1 1 29 2  10 o 17.6639 5.85601 -1.68121     4.12177  4.05013      4.12593  16.6671     247.032     11.0402     247.032     
1 1 1 29 2  11 o 15.2999 5.27514 -1.17818     3.89612  -1.85615     4.18991  5.66213     299.683     3.38663     299.683     
1 1 1 29 2  12 o 24.1306 7.10558 5.52111      4.17109  9.79861      4.65256  25.4505     204.046     8.4472      24.0463     
1 1 1 29 2  13 o 24.9048 7.01767 6.13287      4.11491  9.19173      4.13241  37.6391     104.373     18.5013     104.373     
1 1 1 29 2  14 o 16.3488 5.54918 -0.877471    4.05022  0.89878      4.05561  14.7993     248.242     6.74023     248.242     
1 1 1 29 2  15 o 14.8113 5.1227  -2.61301     3.97269  -1.23203     3.83216  13.2316     339.129     2.56691     339.129     
1 1 1 29 2  16 o 14.6347 5.07961 -3.87513     3.9402   -0.675865    3.93867  5.60864     110.068     2.59412     110.068     
1 1 1 29 2  17 o 17.5145 5.80658 2.79207      4.00493  1.23145      3.8961   13.5093     178.396     8.39287     178.396     
1 1 1 29 2  18 o 16.9095 5.66044 4.05337      4.00018  -1.3118      4.00965  19.611      159.657     2.97336     159.657     
1 1 1 29 2  19 o 17.5637 5.93207 2.96834      4.26025  2.92697      4.76884  10.9149     95.3934     7.47506     95.3934     
1 1 1 29 2  20 o 15.7714 5.41702 1.10043      3.96301  0.200583     4.36907  18.9868     317.017     4.61696     317.017     
1 1 1 29 2  21 o 14.4697 5.02184 -2.56769     3.87692  0.275523     3.82721  12.903      323.709     7.96746     323.709     
1 1 1 29 2  22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 2  23 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 3  0  o 15.6524 7.3206  2.60899      4.59887  2.60899      4.59887  20.4722     270         12.7804     270         
1 1 1 29 3  1  o 15.7272 5.40295 -0.0651555   4.15281  -2.48474     4.11761  11.1663     224.892     7.46174     224.892     
1 1 1 29 3  2  o 21.0149 6.57633 5.11009      4.22123  4.52096      4.18814  31.3624     92.535      15.4608     92.535      
1 1 1 29 3  3  o 15.3696 5.31197 -0.957742    4.20807  -2.72052     4.11295  19.1185     53.1384     6.58408     53.1384     
1 1 1 29 3  4  o 19.1066 6.25309 0.719161     4.20509  5.07499      4.54285  20.9574     305.642     15.1058     305.642     
1 1 1 29 3  5  o 16.2977 5.58665 -2.51582     4.22024  1.08367      4.46184  17.3477     103.172     10.9571     103.172     
1 1 1 29 3  6  o 13.1701 4.66597 -8.20846     4.02503  -3.61462     4.01148  14.4264     6.7114      3.87071     6.7114      
1 1 1 29 3  7  o 17.9228 5.9703  3.19835      4.17736  -0.344337    4.51921  23.5163     254.997     7.12806     254.997     
1 1 1 29 3  8  o 15.5133 5.33764 -1.85427     4.18993  -0.883751    3.97346  15.1387     126.568     8.77051     126.568     
1 1 1 29 3  9  o 15.9455 5.47105 0.575234     4.05847  -2.85683     4.47353  12.9138     215.445     7.8784      215.445     
1 1 1 29 3  10 o 18.6599 6.1283  2.98354      4.08917  2.45795      4.40069  24.6584     31.2631     11.8336     31.2631     
1 1 1 29 3  11 o 15.839  5.42591 -1.73677     4.10734  0.121439     4.08418  17.7492     329.99      5.61623     329.99      
1 1 1 29 3  12 o 16.9185 5.64424 -3.647       4.10299  3.70628      3.94223  19.6417     145.09      7.12025     145.09      
1 1 1 29 3  13 o 22.6338 6.57455 9.51696      4.09192  1.06335      4.23959  30.7789     253.286     20.726      253.286     
1 1 1 29 3  14 o 29.5163 7.58087 12.3722      4.62495  10.1408      4.28527  45.6744     168.567     21.216      168.567     
1 1 1 29 3  15 o 14.7221 5.11188 -2.94514     3.91847  -1.39741     4.05677  13.5225     9.9078      2.35288     9.90781     
1 1 1 29 3  16 o 18.7651 6.12783 5.20012      4.15666  0.491852     4.40905  21.9793     215.075     2.54929     215.075     
1 1 1 29 3  17 f 17.244  5.74361 4.28627      3.98533  -1.65606     4.21335  18.4317     241.899     0           0           
1 1 1 29 3  18 o 18.5256 6.05613 5.13307      4.10361  2.26129      4.09363  24.1869     141.455     9.55844     141.455     
1 1 1 29 3  19 o 17.8741 5.822   7.34724      4.04553  -3.55241     4.12618  23.7482     74.8762     11.7949     74.8762     
1 1 1 29 3  20 o 18.4096 5.99955 5.39695      3.95767  2.54319      4.02547  24.3965     159.068     15.4681     159.068     
1 1 1 29 3  21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 3  22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 4  0  o 10.5512 5.35764 -3.93956     4.17386  -3.93956     4.17386  0.531834    90.0001     0.199512    90.0001     
1 1 1 29 4  1  o 18.9038 6.23173 2.97958      4.25144  2.53043      4.66207  22.3181     207.74      0.154413    27.7406     
1 1 1 29 4  2  o 15.8509 5.4433  -2.27428     4.18546  0.00994376   4.19074  20.1544     95.0135     7.76469     95.0135     
1 1 1 29 4  3  o 21.4395 6.65357 5.29235      4.26668  5.14945      4.17241  29.7028     196.542     8.78758     196.542     
1 1 1 29 4  4  o 19.3214 6.22293 4.95945      4.10468  1.11747      4.24232  26.2622     105.979     17.449      105.979     
1 1 1 29 4  5  o 15.4624 5.32847 0.542989     4.16818  -3.98879     4.04231  12.9858     65.3379     8.16247     65.3379     
1 1 1 29 4  6  o 13.6194 4.80322 -5.41056     4.02005  -4.20784     4.10566  12.095      36.289      5.7858      36.289      
1 1 1 29 4  7  o 15.3815 5.31305 -0.479913    4.1882   -2.97119     4.1053   13.1633     212.064     7.70007     212.064     
1 1 1 29 4  8  o 16.6289 5.61682 2.64626      4.09865  -2.75699     4.11996  7.92073     207.956     5.27604     207.956     
1 1 1 29 4  9  o 15.6863 5.37783 -3.41241     4.11204  0.97979      4.04145  17.3395     73.5667     7.26769     73.5667     
1 1 1 29 4  10 o 19.268  6.21974 4.67259      4.1087   1.84792      4.2013   17.2103     175.221     11.7884     175.221     
1 1 1 29 4  11 o 14.0035 4.92797 -5.07655     3.97585  -3.25039     4.32713  4.88725     112.766     2.18501     112.766     
1 1 1 29 4  12 o 18.6017 6.11827 0.249744     4.03506  4.87037      4.47517  19.7765     256.63      2.49411     76.6299     
1 1 1 29 4  13 o 13.8655 4.91932 -9.28571     5.14494  -3.65259     4.22505  9.34612     247.916     1.98107     247.916     
1 1 1 29 4  14 o 14.1454 4.97402 -0.823486    4.27845  -7.13055     4.00004  1.82952     323.475     0.742538    323.475     
1 1 1 29 4  15 o 17.033  5.73135 -2.02294     4.19235  3.50983      4.20034  18.5069     283.249     8.09241     283.249     
1 1 1 29 4  16 o 18.0837 5.92026 -0.302852    3.91848  5.11685      4.06812  22.4197     269.15      9.61049     269.15      
1 1 1 29 4  17 o 14.4898 5.02424 0.965129     3.83589  -4.76885     3.84536  7.02778     47.0743     3.76634     47.0743     
1 1 1 29 4  18 o 14.4197 5.01601 -0.211039    3.89844  -2.6926      3.91766  11.7329     79.0295     6.08965     79.0295     
1 1 1 29 4  19 o 13.6696 4.79993 -1.50895     3.88783  -3.71732     3.87933  14.3859     104.194     5.58369     104.194     
1 1 1 29 4  20 o 17.0111 5.75757 3.17797      4.5421   1.81054      4.00967  16.254      135.539     11.3272     135.539     
1 1 1 29 4  21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 4  22 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 5  0  o 13.3565 6.45925 0.436956     4.18876  0.436956     4.18876  14.6332     270         4.72996     90          
1 1 1 29 5  1  o 21.356  6.64829 5.62712      4.20882  4.75643      4.29628  31.1062     354.5       20.8466     354.5       
1 1 1 29 5  2  o 18.8439 6.19245 3.43425      4.20232  2.00888      4.52391  25.8044     195.924     14.7753     195.924     
1 1 1 29 5  3  o 24.2157 6.54192 12.2467      4.29487  -1.28699     4.29434  33.4985     152.623     7.88181     152.623     
1 1 1 29 5  4  o 21.6813 6.70511 6.03777      4.27815  4.97882      4.23642  32.1338     341.383     20.3687     341.383     
1 1 1 29 5  5  o 15.5756 5.35671 0.186137     4.11447  -2.8742      4.08253  17.7889     135.924     7.99326     135.924     
1 1 1 29 5  6  o 16.6416 5.66709 -2.44339     4.55197  1.86322      4.21607  19.4526     106.113     9.74884     106.113     
1 1 1 29 5  7  o 15.8772 5.47845 1.3526       4.56809  -3.68795     4.05024  17.6942     195.284     7.49382     195.284     
1 1 1 29 5  8  o 16.921  5.73949 3.24129      4.38654  -3.42424     4.41976  20.135      338.682     6.32016     338.682     
1 1 1 29 5  9  o 19.4445 6.35239 2.51302      4.3902   4.58569      4.54085  25.3087     261.652     12.0444     261.652     
1 1 1 29 5  10 o 15.4045 5.32619 -0.928638    4.2337   -2.42542     4.15961  11.5788     283.507     5.45021     283.507     
1 1 1 29 5  11 o 19.7652 6.42672 -1.06101     4.40547  7.84971      4.86364  24.0201     323.791     4.90272     323.791     
1 1 1 29 5  12 o 15.0736 5.22128 -1.61188     4.14842  -2.1353      4.02769  12.8638     29.5582     3.42372     29.5582     
1 1 1 29 5  13 o 18.0643 5.99393 1.00384      4.46209  3.24676      4.09313  21.0458     18.2059     7.94102     18.2059     
1 1 1 29 5  14 o 17.8329 5.89753 0.260257     4.00723  3.84636      4.12072  12.5479     210.473     7.81582     210.473     
1 1 1 29 5  15 o 15.7623 5.39224 1.35717      4.04804  -2.04924     3.98063  16.9575     355.176     2.4036      355.176     
1 1 1 29 5  16 o 16.4851 5.57028 4.46235      4.14255  -3.44464     4.00002  17.9267     224.861     9.01924     224.861     
1 1 1 29 5  17 o 17.0888 5.7204  -1.53008     4.57124  4.6093       3.9322   17.0124     354.933     5.40294     174.933     
1 1 1 29 5  18 o 15.7478 5.39469 2.68797      4.1332   -1.53345     3.94781  16.3758     90.2353     9.47866     90.2353     
1 1 1 29 5  19 o 15.8254 5.39271 -2.05226     3.96266  3.25992      3.96221  19.4095     95.9544     10.6959     95.9544     
1 1 1 29 5  20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 5  21 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 6  0  o 14.0998 6.70398 1.36474      4.1413   1.36474      4.1413   7.6058      90          4.27267     90          
1 1 1 29 6  1  o 19.5338 6.30687 3.08096      4.27295  4.15814      4.18998  24.729      202.635     15.7094     202.635     
1 1 1 29 6  2  o 17.4362 5.8592  0.49487      4.37702  1.89746      4.20782  20.9828     313.828     11.1013     313.828     
1 1 1 29 6  3  o 16.6625 5.66074 3.78449      4.40722  -5.03656     4.21563  16.5553     9.75871     9.5176      9.75871     
1 1 1 29 6  4  o 17.773  5.95745 -4.57558     4.45487  5.56921      4.61849  8.87275     106.505     6.03175     106.505     
1 1 1 29 6  5  o 16.0257 5.53323 -1.33345     4.49046  -0.865014    4.48158  11.4886     144.652     6.60235     144.652     
1 1 1 29 6  6  o 17.737  5.91936 1.31803      4.30352  1.99049      4.15668  21.7334     98.0623     8.36485     98.0623     
1 1 1 29 6  7  o 17.6634 5.8778  -6.27118     4.44518  5.83096      4.40955  13.9851     280.535     8.67394     280.535     
1 1 1 29 6  8  f 16.8337 5.72926 -1.6374      4.35177  1.94896      4.43732  1.3023      96.5851     0           0           
1 1 1 29 6  9  o 19.7651 6.38577 5.40494      4.55903  2.41181      4.10537  23.2602     347.959     13.3566     347.959     
1 1 1 29 6  10 o 14.5743 5.09516 -1.20602     4.16255  -5.48136     4.28001  3.2371      86.4136     1.36607     86.4136     
1 1 1 29 6  11 o 17.0243 5.75496 1.88205      4.29817  -0.195368    4.22184  17.0408     181.786     7.34147     181.786     
1 1 1 29 6  12 o 17.091  5.77605 0.467801     4.42959  1.55573      4.16261  11.7048     142.84      6.68091     142.84      
1 1 1 29 6  13 o 17.6787 5.93627 2.92839      4.6498   1.07635      4.05713  17.7981     231.058     9.78399     231.058     
1 1 1 29 6  14 o 16.8579 5.75462 1.74904      4.82216  0.506094     4.14243  16.0381     195.387     8.77539     195.387     
1 1 1 29 6  15 f 17.8691 5.9063  6.63984      4.3187   -2.22212     4.06424  1.16595     266.379     0           0           
1 1 1 29 6  16 o 18.8589 6.23862 6.53592      4.64668  2.60017      4.42261  24.2373     91.6637     14.1242     91.6637     
1 1 1 29 6  17 o 13.9853 4.90183 -2.18208     4.06192  -2.17214     3.90365  9.03771     331.471     5.12827     331.471     
1 1 1 29 6  18 o 14.1524 4.94914 -5.44938     3.9983   0.881187     3.96529  16.2891     220.725     3.29046     220.725     
1 1 1 29 6  19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 6  20 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 7  0  f 14.7492 7.11828 1.52241      5.03117  1.52241      5.03117  13.4364     90          0           0           
1 1 1 29 7  1  o 16.8989 5.74453 3.61915      4.4566   -4.73592     4.5694   11.9123     107.194     7.10343     107.194     
1 1 1 29 7  2  o 16.509  5.62182 -3.30789     4.52871  2.12872      4.16806  16.0768     258.505     8.07192     258.505     
1 1 1 29 7  3  o 19.4059 6.48895 6.36007      5.49759  0.745083     4.64085  21.9173     225.729     12.9762     225.729     
1 1 1 29 7  4  o 15.8444 5.46468 -0.595451    4.43415  -1.75227     4.23385  16.0141     131.172     0.914913    311.172     
1 1 1 29 7  5  o 19.0895 6.28539 6.82998      4.79588  -1.77942     4.47501  16.7749     35.9909     10.7037     35.9909     
1 1 1 29 7  6  o 17.4141 5.87214 -1.64071     4.48215  3.20799      4.40141  17.1854     18.1501     8.68288     18.1501     
1 1 1 29 7  7  o 17.9018 6.01108 2.80117      4.47561  0.56605      4.5308   15.1139     164.48      8.51167     164.48      
1 1 1 29 7  8  o 19.4033 6.34346 4.15516      4.44035  3.12953      4.48946  23.0963     104.398     10.7306     104.398     
1 1 1 29 7  9  o 15.9977 5.5468  -1.56049     5.09503  -0.903376    4.24503  16.0294     218.638     1.1765      218.638     
1 1 1 29 7  10 o 15.0739 5.28777 -1.93693     4.92366  -3.70283     4.32501  9.60921     188.003     4.13936     188.003     
1 1 1 29 7  11 o 16.5803 5.69085 1.73429      4.64314  -1.57132     4.452    10.4325     147.654     5.90074     147.654     
1 1 1 29 7  12 o 18.3273 6.12365 4.85339      4.72388  0.861691     4.36303  14.0901     178.111     9.10029     178.111     
1 1 1 29 7  13 o 17.2445 5.82149 2.97882      4.31786  0.856155     4.35735  18.9454     106.567     0.0137864   106.567     
1 1 1 29 7  14 o 19.9535 6.42696 2.02177      4.97799  7.99244      4.35673  14.5473     81.5056     10.6732     81.5056     
1 1 1 29 7  15 o 17.842  5.95543 4.10036      4.34443  2.73662      4.21236  15.8611     332.242     10.7626     332.242     
1 1 1 29 7  16 o 15.0338 5.23279 -3.18288     4.21872  1.45252      4.30438  15.4267     287.351     8.47844     287.351     
1 1 1 29 7  17 o 16.942  5.7576  -0.0927994   4.19803  4.54108      4.54732  15.1548     175.118     10.5972     175.118     
1 1 1 29 7  18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 7  19 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 8  0  o 10.5328 5.40312 -5.73453     4.79736  -5.73453     4.79736  1.73565     270         0.793312    90          
1 1 1 29 8  1  o 17.9888 6.13622 1.59674      5.63727  1.48056      4.5993   18.1044     108.518     8.91838     108.518     
1 1 1 29 8  2  o 16.8008 5.73305 -1.2821      4.94342  1.25306      4.14378  13.9141     9.90401     6.75659     9.90401     
1 1 1 29 8  3  o 16.6094 5.69703 2.42074      4.58046  -3.59067     4.60947  11.8951     5.61569     5.87863     5.61569     
1 1 1 29 8  4  o 18.6774 6.20258 6.5579       4.81414  -2.31037     4.51309  13.9607     324.911     8.42892     324.911     
1 1 1 29 8  5  o 20.6852 6.77762 5.31122      5.77454  5.46651      4.66255  25.8727     132.971     13.0557     132.971     
1 1 1 29 8  6  o 15.6701 5.47036 -3.34472     5.13351  -1.10695     4.52111  13.8965     151.373     4.87455     151.373     
1 1 1 29 8  7  o 20.0037 6.5178  2.79338      4.90918  5.92157      4.56986  19.4953     62.3996     12.5071     62.3996     
1 1 1 29 8  8  o 15.7695 5.46075 -3.48439     4.4654   0.785377     4.48357  13.8065     279.437     5.96331     279.437     
1 1 1 29 8  9  o 16.855  5.68842 3.38579      4.10824  -2.63927     4.43215  16.3767     98.2711     4.57035     278.271     
1 1 1 29 8  10 o 18.9593 6.21004 -0.127934    4.22174  6.96916      4.57135  23.7138     330.464     12.1641     330.464     
1 1 1 29 8  11 o 15.5573 5.36828 0.550094     4.09599  -1.5682      4.36539  5.66412     327.618     3.34826     327.618     
1 1 1 29 8  12 o 17.5785 5.88443 0.156583     4.08327  5.11119      4.41096  7.6997      16.4401     5.28374     16.4401     
1 1 1 29 8  13 o 15.8502 5.49058 -1.9881      4.10711  2.86365      4.76336  15.2487     210.087     5.18736     30.0872     
1 1 1 29 8  14 o 15.4349 5.34471 0.874098     4.01492  -1.24849     4.65835  18.3413     349.578     6.8947      349.578     
1 1 1 29 8  15 o 16.8291 5.70285 -1.07871     4.13793  4.94169      4.37949  18.249      331.819     11.8797     331.819     
1 1 1 29 8  16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 8  17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 8  18 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 9  0  o 20.704  8.6074  6.80201      4.64742  6.80201      4.64742  25.2374     270         17.7639     270         
1 1 1 29 9  1  o 19.9706 6.62544 1.38589      5.36228  7.33804      5.20418  14.9382     35.2469     10.0095     35.2469     
1 1 1 29 9  2  o 17.3011 5.95638 2.25935      5.18697  -0.853773    4.97909  16.908      133.675     8.36565     133.675     
1 1 1 29 9  3  o 16.4884 5.66541 -7.55186     4.7597   4.22478      4.64208  9.57061     55.1886     5.35628     55.1886     
1 1 1 29 9  4  o 19.5887 6.40507 7.66659      4.79239  -0.420725    4.65907  24.6007     305.738     12.1284     305.738     
1 1 1 29 9  5  o 16.1319 5.54358 -4.79666     4.25377  3.1514       4.48254  16.9843     44.2271     5.98879     44.2271     
1 1 1 29 9  6  o 18.5089 6.1951  1.64544      4.88763  4.33909      4.5993   22.4475     97.0552     10.4889     97.0552     
1 1 1 29 9  7  o 15.0339 5.27221 -1.17212     4.80033  -3.29151     4.39267  15.3708     282.739     3.31347     282.739     
1 1 1 29 9  8  o 17.8942 6.07153 2.80275      4.60036  2.83759      5.08743  20.4922     122.252     10.9639     122.252     
1 1 1 29 9  9  o 15.0982 5.29748 -1.09522     4.39173  -2.68655     5.07925  11.4302     290.121     6.00717     290.121     
1 1 1 29 9  10 o 15.5199 5.4095  -1.2939      4.48493  0.334305     4.72195  17.2229     120.317     2.77057     120.317     
1 1 1 29 9  11 o 14.5933 5.10764 1.07307      4.11871  -6.31235     4.67753  11.6937     245.99      6.3615      245.99      
1 1 1 29 9  12 o 18.2021 6.0571  0.975731     4.28898  6.5865       4.53302  24.371      17.8712     11.8169     17.8712     
1 1 1 29 9  13 o 18.4256 6.17439 0.320033     4.25065  8.30392      5.04049  24.9113     100.055     10.3927     100.055     
1 1 1 29 9  14 o 15.8479 5.46474 1.10764      4.32952  0.0893733    4.34361  20.2057     248.021     10.5598     248.021     
1 1 1 29 9  15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 9  16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 10 0  o 16.4923 7.79429 4.33878      5.44686  4.33878      5.44686  22.1713     90          5.00469     90          
1 1 1 29 10 1  o 18.1934 6.19598 2.68102      4.67365  4.03789      5.61599  11.4434     336.21      7.6075      336.21      
1 1 1 29 10 2  o 16.1085 5.59703 2.51293      4.55196  -5.36204     5.61702  9.72219     132.147     5.74155     132.147     
1 1 1 29 10 3  o 15.9548 5.65367 -5.1694      4.30728  4.40273      6.25304  15.6587     113.986     7.45449     113.986     
1 1 1 29 10 4  o 18.3005 6.11864 5.5513       4.30982  0.128664     5.48411  23.0823     164.867     10.2549     164.867     
1 1 1 29 10 5  o 17.165  5.88579 2.81518      4.30823  0.79434      5.72354  10.5609     277.57      6.88698     277.57      
1 1 1 29 10 6  o 15.5285 5.35353 4.05427      4.1462   -9.4215      4.88868  17.4754     227.709     3.95199     227.709     
1 1 1 29 10 7  o 16.5067 5.70093 1.9934       4.26087  0.196048     5.54809  12.4593     218.072     7.88873     218.072     
1 1 1 29 10 8  o 16.3717 5.58272 3.2144       4.27194  -0.476052    4.16216  10.8883     355.873     7.17649     355.873     
1 1 1 29 10 9  f 16.029  5.49164 0.423063     4.16437  1.69859      4.21827  8.98652     134.459     0           0           
1 1 1 29 10 10 o 17.4448 5.83011 4.6272       4.14797  1.16782      4.19008  20.5229     95.5837     13.2124     95.5837     
1 1 1 29 10 11 o 13.5252 4.80366 -3.50255     4.66044  -4.66706     4.08269  13.3631     86.9999     6.84936     86.9999     
1 1 1 29 10 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 10 13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 10 14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 11 0  o 15.3116 7.45339 3.4178       5.7896   3.4178       5.7896   12.3628     270         7.71208     270         
1 1 1 29 11 1  o 16.1839 5.66469 -0.104612    4.7357   1.31426      5.73093  18.3717     91.6454     2.1175      91.6454     
1 1 1 29 11 2  o 19.1321 6.445   3.65964      4.40076  8.46062      5.98398  25.6167     10.7672     11.4279     10.7671     
1 1 1 29 11 3  o 16.668  5.77048 0.288864     4.2251   3.70048      5.56483  11.0685     307.303     7.44404     307.303     
1 1 1 29 11 4  o 16.7841 5.72633 4.99913      4.39291  -2.91478     4.94716  20.2451     25.3163     11.2908     25.3163     
1 1 1 29 11 5  f 14.8692 5.18944 1.16824      4.23724  -3.94433     4.43039  4.71725     325.486     0           0           
1 1 1 29 11 6  o 19.15   6.28419 6.44904      4.35373  3.66308      4.68332  26.7995     119.741     14.3924     119.741     
1 1 1 29 11 7  o 15.7763 5.457   -6.13972     4.19094  5.06063      4.55833  10.1509     200.53      6.96597     200.53      
1 1 1 29 11 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 11 9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 11 10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 11 11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 11 12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 29 12 8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 0  0  o 13.698  6.87501 -4.70391     6.13581  -4.70391     6.13581  1.63404     180         0.934877    8.55873e-06 
1 1 1 30 0  1  o 10.8133 5.48941 -3.71469     4.3702   -3.71469     4.3702   6.13629     270         1.63034     90          
1 1 1 30 0  2  o 14.844  7.00227 2.145        4.36066  2.145        4.36066  13.2292     180         13.0104     8.65284e-06 
1 1 1 30 0  3  o 14.9241 7.03374 2.23052      4.38292  2.23052      4.38292  18.473      90          5.90615     90          
1 1 1 30 0  4  o 16.2451 7.47457 3.48191      4.5088   3.48191      4.5088   19.5239     180         10.252      180         
1 1 1 30 0  5  o 14.567  6.91896 1.904        4.39003  1.904        4.39003  8.85751     270         4.58212     270         
1 1 1 30 0  6  o 12.8362 6.28619 -0.0268376   4.27287  -0.0268376   4.27287  6.09704     180         2.33861     180         
1 1 1 30 0  7  o 11.8579 5.90934 -1.40042     4.27195  -1.40042     4.27195  10.6392     90          0.792593    90          
1 1 1 30 0  8  o 12.2412 6.12983 -1.45742     4.78245  -1.45742     4.78245  7.9722      1.74305e-06 2.57153     1.74305e-06 
1 1 1 30 0  9  o 10.6227 5.39678 -3.39494     4.25901  -3.39494     4.25901  5.14095     90          0.563842    90          
1 1 1 30 0  10 o 15.9229 7.36085 3.74998      4.44686  3.74998      4.44686  5.37676     360         3.63068     360         
1 1 1 30 0  11 o 19.2549 8.15254 6.27432      4.31088  6.27432      4.31088  0.920016    90          0.72266     90          
1 1 1 30 0  12 o 13.874  6.64431 1.90715      4.21137  1.90715      4.21137  19.4461     0           6.37559     0           
1 1 1 30 0  13 o 11.213  5.64389 -1.85823     4.243    -1.85823     4.243    11.0583     90          3.87505     90          
1 1 1 30 0  14 o 19.7433 8.27704 6.71612      4.36165  6.71612      4.36165  32.1815     360         10.9388     360         
1 1 1 30 0  15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 0  16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 0  17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 1  0  o 26.6574 9.49728 10.0888      4.81343  10.0888      4.81343  52.1756     3.15471e-06 38.7329     3.15471e-06 
1 1 1 30 1  1  o 15.7423 5.43963 1.58609      4.3626   -5.00417     4.47124  17.1844     220.048     4.38412     220.048     
1 1 1 30 1  2  o 17.616  5.90693 -1.06003     4.29044  3.97257      4.40934  15.4203     167.393     9.22682     167.393     
1 1 1 30 1  3  o 18.5799 6.15161 1.98181      4.39639  3.77666      4.43362  23.799      259.743     7.64586     259.743     
1 1 1 30 1  4  o 18.5226 6.11353 0.696763     4.33496  4.71519      4.36607  22.2425     339.171     12.4008     339.171     
1 1 1 30 1  5  o 16.7148 5.69291 0.601924     4.33813  0.591806     4.34857  13.7849     182.988     7.99123     182.988     
1 1 1 30 1  6  o 20.8636 6.61666 5.48882      4.46855  5.53108      4.34314  29.9156     55.7922     15.5204     55.7922     
1 1 1 30 1  7  o 15.8983 5.45705 -4.83388     4.23717  2.90494      4.26766  7.61923     139.357     4.60804     139.357     
1 1 1 30 1  8  o 18.5447 6.1587  2.24946      4.79163  4.48561      4.30347  24.5744     58.7105     8.42187     58.7105     
1 1 1 30 1  9  o 18.663  6.12592 6.04793      4.32094  1.12787      4.29641  11.9389     122.428     8.53301     122.428     
1 1 1 30 1  10 o 15.3209 5.30632 -0.637004    4.27654  -0.319971    4.16878  17.9321     141.273     7.52039     141.273     
1 1 1 30 1  11 o 15.7691 5.42132 0.755493     4.20324  0.321492     4.15356  19.7399     89.2031     8.05361     89.2031     
1 1 1 30 1  12 o 19.0944 6.25831 2.76598      4.31589  7.03441      4.51764  27.1248     137.02      10.7913     137.02      
1 1 1 30 1  13 o 15.2608 5.30769 -0.505483    4.56299  -0.215943    4.17893  18.1834     334.536     1.4885      334.536     
1 1 1 30 1  14 o 14.5958 5.10304 -0.467221    4.07617  -2.71748     4.42083  16.3756     258.18      9.72177     258.18      
1 1 1 30 1  15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 1  16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 1  17 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 2  0  o 13.4949 6.53163 0.707482     4.30305  0.707482     4.30305  9.12129     1.71647e-06 3.55983     1.71647e-06 
1 1 1 30 2  1  o 21.4991 6.77124 6.96116      4.61616  5.0388       4.45655  18.4359     37.2691     13.4935     37.2691     
1 1 1 30 2  2  o 18.7584 6.18468 5.09034      4.45276  0.778332     4.42939  23.0989     29.238      3.49711     29.238      
1 1 1 30 2  3  o 16.9609 5.75083 2.96518      4.33002  -1.82883     4.44198  19.5077     259.508     1.5857      259.508     
1 1 1 30 2  4  o 17.875  5.98279 -0.680568    4.435    4.3792       4.44971  6.11113     284.646     4.10265     284.646     
1 1 1 30 2  5  o 18.1117 6.04035 2.35081      4.37294  2.73015      4.39716  7.07748     139.5       4.8296      139.5       
1 1 1 30 2  6  f 15.1092 5.2541  -0.337931    4.25053  -3.35126     4.31364  5.55611     222.87      0           0           
1 1 1 30 2  7  o 15.541  5.37194 -2.80193     4.34738  0.917499     4.23303  14.3029     183.876     7.48941     183.876     
1 1 1 30 2  8  o 21.7824 6.72477 8.69348      4.38117  4.6798       4.317    31.1776     341.982     11.0086     341.982     
1 1 1 30 2  9  f 14.1161 4.96611 -2.72457     4.22787  -3.13483     4.25221  10.5706     206.177     0           0           
1 1 1 30 2  10 o 22.0051 6.76654 5.69752      4.36838  9.08842      4.34684  30.7947     343.704     22.1542     343.704     
1 1 1 30 2  11 o 19.6001 6.25063 8.8035       4.2949   0.216194     4.30117  28.9217     101.27      14.9628     101.27      
1 1 1 30 2  12 o 19.8398 6.2833  9.56994      4.30234  -1.01923     4.71397  29.8252     52.0108     15.1643     52.0108     
1 1 1 30 2  13 o 16.7387 5.65337 -0.264395    4.04035  4.18522      4.18297  16.5431     307.793     11.4928     307.793     
1 1 1 30 2  14 o 15.2299 5.27118 -3.60702     4.16222  2.31917      4.17222  19.5889     95.8441     11.1638     95.8441     
1 1 1 30 2  15 f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 2  16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 3  0  o 10.8578 5.49717 -3.25683     4.2605   -3.25683     4.2605   1.30687     180         0.0683596   180         
1 1 1 30 3  1  o 17.4034 5.8746  2.84521      4.43793  0.0943112    4.38969  21.3068     298.597     5.40413     298.597     
1 1 1 30 3  2  o 14.4082 5.05731 -4.79289     4.30841  -1.94902     4.28719  14.5971     306.82      3.30583     306.82      
1 1 1 30 3  3  o 14.7438 5.17349 -3.63602     4.6356   -2.45688     4.35401  15.5807     41.4456     3.11793     41.4456     
1 1 1 30 3  4  o 17.2522 5.8496  2.41133      4.39802  0.269039     4.59282  18.6275     267.541     10.3818     267.541     
1 1 1 30 3  5  o 17.5781 5.93618 -0.941519    4.3639   4.57893      4.66736  22.336      318.105     7.92896     318.105     
1 1 1 30 3  6  o 15.7467 5.44531 0.404689     4.39654  -1.47717     4.3968   8.55408     107.147     5.14491     107.147     
1 1 1 30 3  7  o 15.0687 5.23984 -3.17589     4.31709  0.267485     4.21319  15.4006     35.9458     7.18812     35.9458     
1 1 1 30 3  8  o 23.4773 6.80913 12.5063      4.4728   2.62205      4.47954  37.6321     61.2187     24.8433     61.2187     
1 1 1 30 3  9  o 16.0716 5.51092 -5.20765     4.25984  4.71666      4.37613  20.078      358.602     6.39133     358.602     
1 1 1 30 3  10 o 17.0539 5.78886 3.91999      4.31193  0.272109     4.65384  22.0157     159.695     11.9049     159.695     
1 1 1 30 3  11 o 16.0594 5.49964 0.170916     4.31986  1.85692      4.10437  20.8598     32.1753     9.80056     32.1753     
1 1 1 30 3  12 o 16.1184 5.51996 0.617434     4.30086  1.75647      4.16364  19.723      164.976     2.05483     164.976     
1 1 1 30 3  13 o 15.7567 5.44815 -1.77784     4.15907  2.57675      4.54454  21.3178     91.4666     9.82807     91.4666     
1 1 1 30 3  14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 3  15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 3  16 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 4  0  o 9.85038 5.06444 -5.69301     4.34772  -5.69301     4.34772  0.657931    360         0.118071    180         
1 1 1 30 4  1  o 20.7656 6.52349 8.78332      4.45689  1.24851      4.41062  29.5136     236.681     12.0908     236.681     
1 1 1 30 4  2  o 17.6038 5.91837 3.05479      4.36023  1.18649      4.41651  17.5548     78.3853     10.7758     78.3853     
1 1 1 30 4  3  o 16.3956 5.59755 -4.49788     4.29567  4.08472      4.38534  18.9961     308.372     8.87451     308.372     
1 1 1 30 4  4  o 14.9501 5.22072 -0.236114    4.38876  -3.69254     4.33924  13.2478     260.068     6.57961     260.068     
1 1 1 30 4  5  o 20.0361 6.41205 1.90207      4.41881  7.87529      4.40534  27.7321     271.951     16.8948     271.951     
1 1 1 30 4  6  o 16.4748 5.63213 2.43429      4.40247  -0.437956    4.30053  4.53108     287.804     3.01416     287.804     
1 1 1 30 4  7  o 18.2048 6.04751 5.27287      4.33462  1.54523      4.42511  23.8346     240.096     6.42308     240.096     
1 1 1 30 4  8  f 15.8766 5.46786 -0.939277    4.26736  1.86139      4.3402   2.51609     272.935     0           0           
1 1 1 30 4  9  o 16.0577 5.54396 0.191878     4.34661  1.39726      4.63721  15.8392     37.8077     9.77795     37.8077     
1 1 1 30 4  10 o 14.8253 5.18907 -1.14299     4.21903  -1.47161     4.60466  18.1998     140.419     5.84639     140.419     
1 1 1 30 4  11 o 15.876  5.48732 0.435293     4.2759   0.919606     4.60939  17.8125     226.265     1.87835     46.2646     
1 1 1 30 4  12 o 18.1743 6.05557 4.37302      4.32523  3.51538      4.47086  26.5778     132.524     14.9582     132.524     
1 1 1 30 4  13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 4  14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 4  15 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 5  0  o 11.6318 5.86338 -2.18163     4.64344  -2.18163     4.64344  11.1176     3.4483e-06  0.826521    3.4483e-06  
1 1 1 30 5  1  o 17.8552 5.97023 -0.919775    4.46946  5.7062       4.44381  22.9228     117.416     12.1593     117.416     
1 1 1 30 5  2  o 18.2703 5.98006 -3.95101     4.51965  7.50916      4.28559  22.9931     15.1166     13.8034     15.1166     
1 1 1 30 5  3  o 14.6716 5.13691 -0.312095    4.30122  -4.04352     4.37858  16.1996     174.58      5.7805      174.58      
1 1 1 30 5  4  o 14.8607 5.22456 -3.95512     5.02744  -0.87335     4.41268  12.7962     289.014     6.84932     289.014     
1 1 1 30 5  5  o 20.7677 6.69371 3.22106      4.39978  10.39        5.1104   24.9428     356.137     17.81       356.137     
1 1 1 30 5  6  o 16.6494 5.69114 3.7833       4.39093  -1.27344     4.65763  15.6439     327.848     9.97853     327.848     
1 1 1 30 5  7  o 15.8996 5.47966 -1.3654      4.28424  2.39103      4.39958  20.1072     213.667     7.21316     213.667     
1 1 1 30 5  8  o 15.9698 5.52382 -0.259736    4.30176  1.68724      4.71345  18.9344     303.963     10.6014     303.963     
1 1 1 30 5  9  o 15.4241 5.34137 -1.7227      4.19818  1.6196       4.33111  18.216      309.964     10.1787     309.964     
1 1 1 30 5  10 f 15.4914 5.37437 2.42712      4.33917  -3.39317     4.55646  5.8153      340.322     0           0           
1 1 1 30 5  11 o 16.7077 5.68457 -0.266721    4.33249  3.8113       4.33867  20.1094     14.7889     13.4546     14.7889     
1 1 1 30 5  12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 5  13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 5  14 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 6  0  o 14.8013 7.00929 2.78853      4.44482  2.78853      4.44482  16.3688     360         9.45285     360         
1 1 1 30 6  1  o 14.1255 5.00206 -7.31116     4.3639   0.154595     4.61405  7.28371     23.4973     4.17816     23.4973     
1 1 1 30 6  2  o 16.1764 5.58366 1.54957      4.40347  0.0767941    4.76275  7.69311     264.463     5.14883     264.463     
1 1 1 30 6  3  o 18.9116 6.22802 3.34297      4.46808  6.01032      4.43289  20.4857     38.5937     5.18054     218.594     
1 1 1 30 6  4  o 16.2067 5.60128 -0.860983    4.39624  2.74763      4.79228  17.7795     347.327     10.5468     347.327     
1 1 1 30 6  5  o 18.027  6.02051 3.85819      4.32631  3.6268       4.44689  11.3926     309.947     8.31454     309.947     
1 1 1 30 6  6  o 13.4801 4.78226 -5.72992     4.26346  -2.49442     4.32343  14.6346     286.079     5.98711     286.079     
1 1 1 30 6  7  o 14.3397 5.03644 0.237683     4.29886  -4.70512     4.23497  7.32158     56.8184     4.69111     56.8184     
1 1 1 30 6  8  o 18.0592 6.02484 5.2888       4.40554  2.22678      4.38766  26.0127     254.696     13.8109     254.696     
1 1 1 30 6  9  o 14.3481 5.03443 -4.35913     4.29442  -0.0964413   4.21037  17.3172     167.711     9.18838     167.711     
1 1 1 30 6  10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 6  11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 6  12 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 6  13 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 7  0  o 14.6825 7.11081 2.65884      5.11747  2.65884      5.11747  21.1198     3.15156e-06 10.3482     3.15156e-06 
1 1 1 30 7  1  o 15.1748 5.31524 0.335166     4.78759  -2.11055     4.46453  17.6101     158.517     9.5239      158.517     
1 1 1 30 7  2  o 20.0665 6.50407 7.59042      4.67915  4.97995      4.42168  30.0533     178.956     17.6738     178.956     
1 1 1 30 7  3  o 15.6257 5.42596 2.27777      4.61425  -2.10445     4.32324  12.4083     91.6668     8.25726     91.6668     
1 1 1 30 7  4  o 15.5652 5.38586 2.90875      4.33996  -3.3829      4.3609   7.04001     239.619     4.90141     239.619     
1 1 1 30 7  5  o 16.0231 5.50063 -4.39405     4.4262   4.43361      4.32108  20.9876     48.4463     11.6126     48.4463     
1 1 1 30 7  6  o 17.4405 5.88399 -1.68977     4.90171  5.83282      4.39105  17.0047     288.435     12.2898     288.435     
1 1 1 30 7  7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 7  8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 7  9  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 7  10 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 7  11 o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  6  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  7  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 8  8  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 9  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 9  1  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 9  2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 9  3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 30 9  4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 0  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 0  1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 0  2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 0  3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 0  4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 0  5  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 1  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 1  1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 1  2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 1  3  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 1  4  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 2  0  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 2  1  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 2  2  o ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
1 1 1 31 2  3  f ?       ?       ?            ?        ?            ?        ?           ?           ?           ?           
# 
#END OF REFLECTIONS
