data_r4y1hsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-03-18 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4y1h 
_cell.length_a      28.9380 
_cell.length_b      41.8310 
_cell.length_c      47.6020 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97625 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.400 
_diffrn_reflns.pdbx_d_res_low    31.422 
_diffrn_reflns.limit_h_max       20 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       29 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       34 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            11883 
_diffrn_reflns.pdbx_number_obs   11652 
# 
_entry.id   4y1h 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4y1h 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "X+1/2,  -Y+1/2,  -Z" 
3 "-X,  Y+1/2,  -Z+1/2" 
4 "-X+1/2,  -Y,  Z+1/2" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  0  4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  0  6  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  0  8  o 27.495  1.6605 280.101   33.184  280.101   33.184   0.0000    0.0000   27.495  1.6605 27.495  1.6605 -0.000000      0.000000  
1 1 1 0  0  10 o 453.292 18.125 76035.09  6000.01 66154.94  7282.43  96916.52  10587.05 421.103 23.767 508.765 28.597 -0.000000      0.000000  
1 1 1 0  0  12 o 164.206 6.4579 9933.12   774.524 9167.30   1008.59  11033.85  1209.18  157.341 8.8088 172.605 9.6262 -0.000000      0.000000  
1 1 1 0  0  14 o 46.979  1.9107 812.904   65.545  786.291   89.875   843.142   95.798   46.084  2.6815 47.724  2.7598 -0.000000      0.000000  
1 1 1 0  0  16 o 326.604 12.833 39499.50  3061.29 39356.03  4313.94  39645.04  4344.86  324.291 18.282 325.466 18.347 -0.000000      0.000000  
1 1 1 0  0  18 o 200.018 7.9402 14786.05  1159.91 17550.43  1921.92  13202.35  1454.70  216.872 12.179 188.286 10.618 -0.000000      0.000000  
1 1 1 0  0  20 o 214.059 8.5921 16966.08  1343.15 14713.97  1624.09  21839.78  2389.16  198.500 11.245 241.333 13.606 -0.000000      0.000000  
1 1 1 0  0  22 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  0  24 o 80.834  3.2311 2409.28   190.744 2224.60   249.068  2671.22   296.629  77.440  4.4210 84.846  4.8051 0.000000       0.000000  
1 1 1 0  0  26 o 190.487 7.6149 13535.23  1059.34 15541.43  1703.49  12270.19  1352.70  201.940 11.596 179.970 10.333 -0.000000      0.000000  
1 1 1 0  0  28 o 3.5838  2.2560 2.1203    12.481  0.0000    0.0000   2.1203    12.481   3.5838  2.2560 3.5838  2.2560 0.000000       0.000000  
1 1 1 0  0  30 o 107.746 4.2976 4314.56   338.172 4173.60   462.752  4476.12   495.410  105.242 6.0446 108.922 6.2525 0.000000       0.000000  
1 1 1 0  0  32 o 43.697  1.8882 705.526   60.218  606.537   73.492   907.771   105.047  40.358  2.5066 49.357  2.9273 -0.000000      0.000000  
1 1 1 0  0  34 o 17.100  1.2548 109.037   15.533  117.895   23.609   102.277   20.625   17.613  1.8831 16.403  1.7674 -0.000000      0.000000  
1 1 1 0  1  1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  1  2  f 296.035 8.2736 32262.88  1792.05 31182.88  2470.77  33461.66  2603.08  290.371 11.652 300.798 11.849 0.000000       0.000000  
1 1 1 0  1  3  o 288.064 11.298 30674.46  2377.18 30857.69  3381.71  30495.47  3342.31  287.642 16.157 285.962 16.062 -0.000000      0.000000  
1 1 1 0  1  4  o 267.399 8.6302 26347.78  1687.46 23743.46  2611.30  28215.11  2211.17  252.546 14.210 276.297 10.958 0.000000       0.000000  
1 1 1 0  1  5  f 30.090  1.2457 333.546   27.366  364.394   41.827   310.458   36.185   31.371  1.8334 28.952  1.7191 0.000000       0.000000  
1 1 1 0  1  6  o 218.066 7.0749 17520.36  1128.11 23379.67  2554.38  16100.63  1257.37  250.346 14.021 208.806 8.2448 -0.000000      0.000000  
1 1 1 0  1  7  o 383.168 10.719 54300.54  3005.20 60663.32  4695.48  49885.80  3911.19  402.880 15.958 365.754 14.643 -0.000000      0.000000  
1 1 1 0  1  8  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  1  9  o 337.787 13.360 42332.64  3295.96 38926.74  4274.01  47330.03  5177.15  322.101 18.237 354.656 20.063 0.000000       0.000000  
1 1 1 0  1  10 o 310.831 9.9794 35621.73  2268.27 34978.66  3836.40  35967.37  2812.53  306.173 17.220 311.845 12.349 0.000000       0.000000  
1 1 1 0  1  11 o 257.408 8.2507 24400.34  1553.03 26571.35  2909.63  23535.42  1836.52  267.251 14.961 252.505 9.9582 0.000000       0.000000  
1 1 1 0  1  12 o 149.273 5.8518 8211.48   638.022 0.0000    0.0000   8211.48   638.022  149.273 5.8518 149.273 5.8518 0.000000       0.000000  
1 1 1 0  1  13 o 379.705 12.246 53251.00  3400.20 58375.68  4537.62  46688.79  5134.77  396.667 15.663 353.067 19.988 0.000000       0.000000  
1 1 1 0  1  14 o 160.282 4.4840 9444.27   525.847 10086.96  785.399  8922.10   707.939  165.389 6.5018 155.542 6.2324 -0.000000      0.000000  
1 1 1 0  1  15 o 85.470  3.3971 2691.47   212.054 3019.91   333.531  2468.64   274.729  90.291  5.0765 81.638  4.6252 0.000000       0.000000  
1 1 1 0  1  16 o 9.4768  0.9506 33.898    6.4508  39.034    7.9910   24.290    10.930   10.142  1.1086 7.2249  2.3357 -0.000000      0.000000  
1 1 1 0  1  17 o 112.139 4.4395 4639.01   363.603 4274.99   473.053  5164.58   568.401  107.305 6.0588 117.908 6.6249 0.000000       0.000000  
1 1 1 0  1  18 o 116.148 3.7887 4968.27   321.759 4856.96   536.863  5030.67   401.947  114.295 6.4556 116.722 4.7157 -0.000000      0.000000  
1 1 1 0  1  19 o 31.942  0.9965 375.068   23.278  383.116   33.299   367.376   32.554   32.235  1.4156 31.562  1.4137 0.000000       0.000000  
1 1 1 0  1  20 o 59.167  1.9649 1287.95   85.001  1367.48   110.339  1171.85   133.315  60.906  2.4810 56.221  3.2603 -0.000000      0.000000  
1 1 1 0  1  21 o 31.730  0.9997 370.126   23.197  458.605   38.961   321.538   28.872   35.271  1.5134 29.525  1.3404 0.000000       0.000000  
1 1 1 0  1  22 o 57.276  2.3253 1209.34   97.255  0.0000    0.0000   1209.34   97.255   57.276  2.3253 57.276  2.3253 -0.000000      0.000000  
1 1 1 0  1  23 o 100.720 3.2734 3737.56   241.074 4024.31   316.624  3342.03   371.860  104.363 4.1541 94.765  5.3936 -0.000000      0.000000  
1 1 1 0  1  24 o 18.365  0.7681 124.275   10.299  125.844   14.700   122.763   14.434   18.431  1.0971 18.202  1.0908 -0.000000      0.000000  
1 1 1 0  1  25 o 60.824  1.7519 1360.58   77.958  1370.13   110.892  1351.26   109.617  60.930  2.4926 60.508  2.4811 -0.000000      0.000000  
1 1 1 0  1  26 o 40.325  1.2162 597.950   35.871  600.357   51.412   595.667   50.073   40.333  1.7465 40.181  1.7072 0.000000       0.000000  
1 1 1 0  1  27 o 93.374  2.6242 3216.80   179.281 3507.53   274.935  3001.72   236.472  97.139  3.8755 89.919  3.6011 -0.000000      0.000000  
1 1 1 0  1  28 o 37.539  2.3307 524.567   63.561  0.0000    0.0000   524.567   63.561   37.539  2.3307 37.539  2.3307 -0.000000      0.000000  
1 1 1 0  1  29 o 55.211  1.8591 1124.44   75.039  1186.15   96.658   1030.84   119.047  56.606  2.3387 52.531  3.1170 0.000000       0.000000  
1 1 1 0  1  30 o 9.6735  0.9728 35.355    6.7374  36.609    9.7343   34.202    9.3346   9.6643  1.4765 9.3199  1.4777 0.000000       0.000000  
1 1 1 0  1  31 o 27.463  1.0848 278.081   21.759  293.125   27.729   253.974   35.101   28.155  1.3508 26.077  1.8581 -0.000000      0.000000  
1 1 1 0  1  32 o 23.919  1.0212 211.137   17.829  217.092   22.165   200.222   30.009   24.213  1.2567 23.113  1.7964 -0.000000      0.000000  
1 1 1 0  1  33 o 38.014  1.6898 535.465   46.871  470.206   58.421   653.357   78.522   35.441  2.2703 41.735  2.5897 -0.000000      0.000000  
1 1 1 0  2  0  o 38.275  2.1847 542.149   60.832  542.149   60.832   0.0000    0.0000   38.275  2.1847 38.275  2.1847 0.000000       0.000000  
1 1 1 0  2  1  o 301.168 11.922 33548.25  2622.35 39182.96  4284.29  30172.46  3316.12  323.765 18.185 284.431 16.023 0.000000       0.000000  
1 1 1 0  2  2  f 114.676 3.1726 4832.08   266.203 4773.67   372.201  4893.23   380.886  113.830 4.4768 115.247 4.5249 0.000000       0.000000  
1 1 1 0  2  3  o 74.842  2.0825 2057.84   114.040 1993.22   156.804  2130.40   166.157  73.565  2.9185 76.057  2.9911 -0.000000      0.000000  
1 1 1 0  2  4  o 380.019 10.558 53237.70  2935.56 50513.30  3938.65  56642.45  4403.07  369.135 14.609 390.740 15.429 -0.000000      0.000000  
1 1 1 0  2  5  o 282.185 7.8470 29317.29  1620.16 29784.78  2344.86  28890.23  2241.16  283.731 11.316 279.497 10.978 -0.000000      0.000000  
1 1 1 0  2  6  o 211.152 5.8865 16405.12  909.428 16475.99  1297.50  16336.67  1275.05  211.170 8.4132 210.294 8.3015 -0.000000      0.000000  
1 1 1 0  2  7  o 118.248 4.6753 5155.25   403.775 5155.25   403.775  0.0000    0.0000   118.248 4.6753 118.248 4.6753 -0.000000      0.000000  
1 1 1 0  2  8  o 21.883  0.9777 176.546   15.610  0.0000    0.0000   176.546   15.610   21.883  0.9777 21.883  0.9777 -0.000000      0.000000  
1 1 1 0  2  9  o 294.960 9.5206 32098.73  2053.44 33632.94  2639.31  29745.76  3268.56  301.370 11.992 282.158 15.920 -0.000000      0.000000  
1 1 1 0  2  10 o 16.899  0.6229 105.085   7.6912  103.801   10.736   106.439   11.024   16.761  0.8794 16.972  0.8918 0.000000       0.000000  
1 1 1 0  2  11 o 290.073 9.2988 31001.80  1972.44 30743.73  3371.09  31136.15  2432.23  287.318 16.124 290.300 11.472 0.000000       0.000000  
1 1 1 0  2  12 o 244.990 7.8266 22101.83  1402.16 21921.76  1705.30  22477.67  2463.64  243.694 9.5808 245.852 13.771 -0.000000      0.000000  
1 1 1 0  2  13 o 168.476 4.7162 10434.16  581.354 12338.95  958.164  9324.42   731.354  182.919 7.1717 159.035 6.2966 0.000000       0.000000  
1 1 1 0  2  14 f 26.264  0.9746 253.848   18.703  254.723   22.953   252.119   32.262   26.282  1.1972 26.061  1.7057 -0.000000      0.000000  
1 1 1 0  2  15 o 36.317  1.5355 486.002   40.706  550.020   63.863   442.196   52.828   38.534  2.2794 34.541  2.1045 0.000000       0.000000  
1 1 1 0  2  16 o 42.653  1.7707 670.341   55.142  609.853   71.126   761.472   87.303   40.571  2.4114 45.341  2.6477 0.000000       0.000000  
1 1 1 0  2  17 o 16.109  0.8062 95.824    9.4646  98.670    11.785   90.653    15.884   16.317  0.9938 15.534  1.4225 -0.000000      0.000000  
1 1 1 0  2  18 o 59.854  1.9889 1317.90   87.036  1489.72   166.806  1253.62   102.025  63.399  3.6165 58.319  2.3960 -0.000000      0.000000  
1 1 1 0  2  19 o 74.758  2.4655 2056.60   134.765 2135.54   172.266  1932.07   216.355  76.095  3.1003 72.171  4.1207 0.000000       0.000000  
1 1 1 0  2  20 o 119.881 3.9061 5295.79   342.396 7171.20   786.345  4857.04   380.345  138.604 7.7967 114.676 4.5413 -0.000000      0.000000  
1 1 1 0  2  21 o 90.971  2.9726 3046.84   197.726 3820.74   421.258  2828.17   223.924  101.367 5.7113 87.553  3.5021 -0.000000      0.000000  
1 1 1 0  2  22 o 170.908 6.7879 10843.81  847.259 0.0000    0.0000   10843.81  847.259  170.908 6.7879 170.908 6.7879 -0.000000      0.000000  
1 1 1 0  2  23 o 20.891  0.7917 160.657   12.083  180.048   18.310   145.700   16.081   22.074  1.1386 19.843  1.1137 -0.000000      0.000000  
1 1 1 0  2  24 o 32.150  1.0137 380.041   23.835  396.800   35.227   365.891   32.369   32.797  1.4722 31.495  1.4086 -0.000000      0.000000  
1 1 1 0  2  25 o 39.173  1.3612 564.753   38.976  573.607   68.542   560.522   47.382   39.306  2.3996 38.984  1.6652 0.000000       0.000000  
1 1 1 0  2  26 o 89.399  2.5149 2944.70   164.498 2723.48   215.159  3255.92   255.202  85.763  3.4353 93.730  3.7281 -0.000000      0.000000  
1 1 1 0  2  27 o 20.104  0.8027 148.889   11.786  146.395   16.492   151.491   16.848   19.881  1.1404 20.226  1.1449 -0.000000      0.000000  
1 1 1 0  2  28 o 16.345  0.9055 98.867    10.772  93.778    17.380   102.042   13.727   15.761  1.5381 16.560  1.1434 -0.000000      0.000000  
1 1 1 0  2  29 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  2  30 o 17.820  0.8127 117.185   10.565  107.361   14.131   129.636   15.908   16.989  1.1468 18.685  1.1721 0.000000       0.000000  
1 1 1 0  2  31 o 20.057  0.9757 148.643   14.266  147.075   17.332   151.938   25.120   19.909  1.1977 20.105  1.7343 0.000000       0.000000  
1 1 1 0  2  32 o 44.016  1.5297 715.135   49.217  756.462   63.506   652.985   77.879   45.183  1.9255 41.771  2.5659 -0.000000      0.000000  
1 1 1 0  2  33 o 25.711  1.3353 245.017   25.010  245.017   25.010   0.0000    0.0000   25.711  1.3353 25.711  1.3353 0.000000       0.000000  
1 1 1 0  3  1  o 25.055  1.0416 231.260   19.054  240.584   27.866   223.073   26.112   25.489  1.5036 24.541  1.4636 -0.000000      0.000000  
1 1 1 0  3  2  o 57.796  1.6181 1227.14   68.425  1336.90   104.583  1144.99   90.479   60.252  2.3765 55.759  2.2219 0.000000       0.000000  
1 1 1 0  3  3  o 433.239 12.041 69268.01  3817.04 68985.48  5402.75  69549.56  5393.48  430.808 17.172 432.609 17.070 0.000000       0.000000  
1 1 1 0  3  4  o 350.645 9.7500 45318.88  2501.45 45648.15  3540.07  44990.54  3535.11  350.913 13.812 348.340 13.896 -0.000000      0.000000  
1 1 1 0  3  5  o 45.176  1.2800 749.778   42.307  837.924   66.215   688.968   54.997   47.699  1.9008 43.251  1.7413 -0.000000      0.000000  
1 1 1 0  3  6  o 364.711 11.799 49295.68  3146.56 48693.98  3822.85  50559.60  5540.62  361.452 14.483 365.118 20.859 0.000000       0.000000  
1 1 1 0  3  7  o 57.249  2.2949 1207.30   95.944  1409.72   156.190  1084.63   121.589  61.706  3.4787 54.123  3.0880 -0.000000      0.000000  
1 1 1 0  3  8  o 138.483 4.4760 7057.42   453.246 7483.42   821.685  6871.11   543.392  142.006 7.9514 136.497 5.4511 -0.000000      0.000000  
1 1 1 0  3  9  o 442.799 17.475 72954.90  5651.37 72717.23  7967.26  73195.58  8017.48  438.654 24.965 440.066 25.042 0.000000       0.000000  
1 1 1 0  3  10 o 230.242 6.3596 19493.46  1071.38 20985.92  1625.51  18347.12  1424.61  238.471 9.3323 223.004 8.7462 0.000000       0.000000  
1 1 1 0  3  11 o 279.922 9.0702 28870.34  1856.52 31890.35  2500.72  25162.03  2771.08  293.760 11.656 260.056 14.644 -0.000000      0.000000  
1 1 1 0  3  12 o 146.203 4.0569 7855.53   433.988 8531.74   663.902  7350.98   573.482  152.148 5.9742 141.236 5.5594 -0.000000      0.000000  
1 1 1 0  3  13 o 208.288 5.7539 15953.64  876.911 16664.32  1294.74  15351.36  1191.91  212.500 8.3419 203.977 8.0002 0.000000       0.000000  
1 1 1 0  3  14 o 10.806  0.7327 43.382    5.7419  46.938    8.2406   40.027    8.0052   11.178  1.0257 10.280  1.0936 0.000000       0.000000  
1 1 1 0  3  15 o 222.822 8.7530 18361.88  1424.53 18835.11  2064.72  17931.99  1967.93  224.603 12.633 219.197 12.338 -0.000000      0.000000  
1 1 1 0  3  16 o 147.458 4.7566 8008.07   512.889 6874.04   759.668  8957.99   695.271  135.992 7.6773 155.752 6.1117 0.000000       0.000000  
1 1 1 0  3  17 o 295.867 8.3358 32396.10  1804.44 28696.43  2249.04  39080.41  3023.04  277.345 11.104 322.977 12.816 -0.000000      0.000000  
1 1 1 0  3  18 o 240.342 7.7388 21397.83  1360.08 21537.26  2362.36  21328.70  1663.43  238.486 13.616 239.299 9.5180 -0.000000      0.000000  
1 1 1 0  3  19 o 27.642  1.0462 281.263   21.128  252.433   33.470   300.363   27.242   26.060  1.7710 28.535  1.3088 0.000000       0.000000  
1 1 1 0  3  20 o 89.060  2.5258 2916.66   164.577 2658.11   210.994  3318.35   262.997  84.886  3.4036 94.824  3.7978 -0.000000      0.000000  
1 1 1 0  3  21 o 9.4419  1.0428 33.856    6.9921  34.802    11.930   33.361    8.6298   9.1360  2.0396 9.2547  1.3578 0.000000       0.000000  
1 1 1 0  3  22 o 12.857  0.8113 61.309    7.5759  75.049    11.321   50.166    10.195   14.181  1.1046 11.500  1.2467 -0.000000      0.000000  
1 1 1 0  3  23 o 59.111  1.9471 1285.72   84.153  1325.18   150.098  1267.63   101.628  59.760  3.4531 58.634  2.3736 0.000000       0.000000  
1 1 1 0  3  24 o 78.850  2.5813 2290.09   148.821 2796.97   310.023  2138.32   169.645  86.657  4.9172 76.104  3.0524 -0.000000      0.000000  
1 1 1 0  3  25 o 31.712  1.4217 371.042   32.894  384.969   48.162   358.865   45.035   32.190  2.0606 31.080  1.9958 0.000000       0.000000  
1 1 1 0  3  26 f 10.360  0.8850 40.201    6.6073  38.183    9.3976   42.173    9.2914   9.9331  1.3639 10.505  1.2539 0.000000       0.000000  
1 1 1 0  3  27 o 2.7958  1.6399 3.3177    5.6573  9.0937    10.288   0.8141    6.7733   4.2186  2.3144 2.5967  1.6460 0.000000       0.000000  
1 1 1 0  3  28 o 25.003  1.0141 230.426   18.515  232.957   31.481   229.087   22.894   25.002  1.7371 24.890  1.2623 -0.000000      0.000000  
1 1 1 0  3  29 f 7.8426  1.1484 23.971    6.1871  37.846    9.5198   13.824    8.1409   9.8702  1.3965 5.1694  2.1523 -0.000000      0.000000  
1 1 1 0  3  30 o 7.5028  1.2264 22.242    6.2032  15.190    8.7188   29.471    8.8276   5.4379  2.2218 8.5655  1.5590 -0.000000      0.000000  
1 1 1 0  3  31 o 28.967  1.1227 309.371   23.755  303.876   28.627   321.521   42.568   28.665  1.3697 29.347  2.0003 0.000000       0.000000  
1 1 1 0  3  32 o 61.401  2.5202 1402.43   112.986 1426.92   162.540  1379.53   157.167  61.451  3.6379 60.442  3.5763 -0.000000      0.000000  
1 1 1 0  3  33 o 42.291  1.4847 660.611   45.894  808.591   94.410   614.823   52.516   46.384  2.8003 40.725  1.7669 -0.000000      0.000000  
1 1 1 0  4  0  o 61.345  2.4221 1385.70   108.519 1458.09   161.017  1325.46   146.891  62.775  3.5249 59.850  3.3730 0.000000       0.000000  
1 1 1 0  4  1  o 483.626 19.351 87191.13  6834.57 104785.50 11456.77 77470.34  8515.81  524.482 30.028 452.647 25.861 0.000000       0.000000  
1 1 1 0  4  2  o 48.556  1.3704 866.178   48.685  860.338   68.920   871.994   68.783   48.331  1.9528 48.661  1.9355 -0.000000      0.000000  
1 1 1 0  4  3  o 81.122  2.2543 2417.76   133.803 2533.70   197.369  2319.16   182.016  82.940  3.2581 79.349  3.1408 0.000000       0.000000  
1 1 1 0  4  4  o 113.401 3.1383 4725.74   260.403 4916.49   381.965  4560.09   355.941  115.507 4.5274 111.243 4.3809 -0.000000      0.000000  
1 1 1 0  4  5  o 218.833 6.0448 17625.96  967.885 17916.45  1392.61  17354.52  1346.16  220.138 8.6613 216.676 8.5060 0.000000       0.000000  
1 1 1 0  4  6  o 346.395 9.7029 44346.30  2459.14 43958.01  3409.53  44767.30  3550.23  343.484 13.591 346.460 14.033 -0.000000      0.000000  
1 1 1 0  4  7  o 32.441  1.3355 387.677   31.633  379.706   43.854   396.324   45.673   32.020  1.8835 32.714  1.9199 0.000000       0.000000  
1 1 1 0  4  8  o 45.403  1.2973 757.389   43.093  736.427   59.765   780.089   62.193   44.712  1.8306 46.022  1.8505 -0.000000      0.000000  
1 1 1 0  4  9  o 264.270 8.4616 25728.71  1635.21 27555.67  2135.17  23137.15  2543.01  273.109 10.704 249.359 14.015 -0.000000      0.000000  
1 1 1 0  4  10 o 81.839  2.2808 2460.58   136.570 2380.92   187.044  2551.55   199.871  80.403  3.1853 83.234  3.2878 -0.000000      0.000000  
1 1 1 0  4  11 o 62.842  2.0351 1451.99   93.514  1482.79   116.855  1397.14   155.945  63.453  2.5216 61.438  3.4887 -0.000000      0.000000  
1 1 1 0  4  12 o 241.302 9.4611 21496.60  1667.48 0.0000    0.0000   21496.60  1667.48  241.302 9.4611 241.302 9.4611 0.000000       0.000000  
1 1 1 0  4  13 o 119.977 3.3648 5289.88   295.364 5103.17   402.265  5508.29   435.076  117.678 4.6806 122.254 4.8729 0.000000       0.000000  
1 1 1 0  4  14 o 356.735 14.082 47300.86  3669.11 47300.86  3669.11  0.0000    0.0000   356.735 14.082 356.735 14.082 -0.000000      0.000000  
1 1 1 0  4  15 o 122.654 4.8433 5547.53   433.876 6153.27   676.234  5123.70   565.655  128.757 7.2174 117.519 6.6149 0.000000       0.000000  
1 1 1 0  4  16 o 26.939  0.9978 267.081   19.640  289.753   25.568   234.451   30.674   28.033  1.2500 25.122  1.6832 0.000000       0.000000  
1 1 1 0  4  17 o 294.091 8.3089 32024.17  1787.80 31602.21  2456.15  32499.65  2607.28  290.749 11.567 294.584 12.122 0.000000       0.000000  
1 1 1 0  4  18 o 245.059 6.8992 22203.79  1237.01 26881.96  2082.02  19651.38  1537.88  268.158 10.631 229.712 9.1671 0.000000       0.000000  
1 1 1 0  4  19 o 194.136 5.4268 13905.73  770.835 15967.10  1241.90  12613.88  983.138  207.205 8.2065 184.358 7.3017 -0.000000      0.000000  
1 1 1 0  4  20 o 44.200  1.5011 718.696   48.504  703.140   58.317   753.611   87.367   43.676  1.8290 45.087  2.6650 -0.000000      0.000000  
1 1 1 0  4  21 f 160.163 6.3664 9509.60   744.690 8636.64   953.308  10876.25  1192.79  151.846 8.6291 170.152 9.6348 0.000000       0.000000  
1 1 1 0  4  22 o 23.778  0.8409 208.016   14.613  239.186   22.652   185.794   19.126   25.456  1.2204 22.422  1.1711 0.000000       0.000000  
1 1 1 0  4  23 o 102.142 3.3052 3844.93   246.860 4127.15   322.604  3446.21   383.454  105.666 4.1802 96.185  5.4798 -0.000000      0.000000  
1 1 1 0  4  24 o 17.438  0.7627 112.103   9.7061  116.827   14.187   107.946   13.308   17.750  1.1002 17.059  1.0741 0.000000       0.000000  
1 1 1 0  4  25 o 62.082  1.7963 1417.77   81.585  1574.45   127.031  1307.77   106.438  65.294  2.6644 59.518  2.4493 0.000000       0.000000  
1 1 1 0  4  26 o 13.571  0.8144 68.241    8.0336  81.116    11.995   57.770    10.818   14.745  1.1250 12.373  1.2201 0.000000       0.000000  
1 1 1 0  4  27 o 26.297  1.2861 255.553   24.655  222.076   31.503   308.462   39.604   24.396  1.7837 28.790  1.8957 -0.000000      0.000000  
1 1 1 0  4  28 o 15.549  0.7976 89.353    9.0351  88.614    13.076   90.028    12.499   15.408  1.1735 15.547  1.1098 0.000000       0.000000  
1 1 1 0  4  29 o 51.894  1.5323 991.768   58.167  1095.11   90.297   918.463   76.048   54.386  2.2742 49.825  2.0907 0.000000       0.000000  
1 1 1 0  4  30 o 24.859  1.0401 227.925   18.875  183.834   28.209   263.669   25.399   22.153  1.7630 26.703  1.3048 -0.000000      0.000000  
1 1 1 0  4  31 o 71.534  2.0551 1890.04   107.551 1845.93   149.669  1937.12   154.655  70.415  2.9112 72.132  2.9362 0.000000       0.000000  
1 1 1 0  4  32 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  4  33 o 5.4605  1.8207 14.093    6.4933  19.920    9.2755   8.4933    9.0929   6.4690  2.1864 4.0327  2.1882 0.000000       0.000000  
1 1 1 0  5  1  o 129.062 5.0593 6139.11   476.930 6379.11   699.792  5930.95   651.732  131.177 7.3306 126.493 7.0802 0.000000       0.000000  
1 1 1 0  5  2  o 47.001  1.5243 812.211   52.385  796.862   62.979   846.674   94.372   46.516  1.8539 47.828  2.7120 0.000000       0.000000  
1 1 1 0  5  3  o 216.895 5.9825 17311.10  949.431 17186.86  1332.75  17439.12  1352.87  215.673 8.4605 217.243 8.5261 0.000000       0.000000  
1 1 1 0  5  4  o 25.938  0.7685 247.211   14.581  271.218   22.277   229.218   19.286   27.133  1.1245 24.941  1.0593 -0.000000      0.000000  
1 1 1 0  5  5  o 67.059  1.8768 1652.26   92.086  1581.69   124.449  1737.66   136.897  65.526  2.6005 68.679  2.7293 0.000000       0.000000  
1 1 1 0  5  6  o 61.558  1.7260 1392.25   77.737  1351.02   106.909  1438.50   113.238  60.561  2.4172 62.492  2.4811 -0.000000      0.000000  
1 1 1 0  5  7  o 50.895  1.6655 952.449   61.980  1148.16   127.465  891.846   70.929   55.695  3.1454 49.208  1.9738 -0.000000      0.000000  
1 1 1 0  5  8  o 223.091 6.2342 18306.01  1017.59 16286.94  1268.65  21948.53  1703.99  210.085 8.2679 243.790 9.5696 -0.000000      0.000000  
1 1 1 0  5  9  o 131.360 4.1942 6346.18   402.896 6133.57   674.881  6463.91   502.207  128.676 7.2073 132.454 5.1910 0.000000       0.000000  
1 1 1 0  5  10 o 193.805 6.2973 13823.88  892.399 11633.58  1284.54  15867.19  1240.69  177.091 9.9685 207.401 8.1905 0.000000       0.000000  
1 1 1 0  5  11 o 62.144  1.7492 1418.79   79.530  1539.33   121.465  1328.33   105.221  64.650  2.5726 60.056  2.3991 -0.000000      0.000000  
1 1 1 0  5  12 o 205.564 5.7173 15539.42  859.930 16048.54  1257.72  15092.49  1178.40  208.533 8.2581 202.246 7.9776 0.000000       0.000000  
1 1 1 0  5  13 o 94.380  2.6274 3272.94   181.433 3462.70   270.293  3117.33   244.772  96.950  3.8172 91.988  3.6434 -0.000000      0.000000  
1 1 1 0  5  14 o 104.203 4.1452 4002.00   315.461 4002.00   315.461  0.0000    0.0000   104.203 4.1452 104.203 4.1452 -0.000000      0.000000  
1 1 1 0  5  15 o 15.437  0.6946 87.868    7.8231  96.195    11.410   80.480    10.747   16.113  0.9743 14.716  1.0072 0.000000       0.000000  
1 1 1 0  5  16 o 101.716 4.0135 3815.45   298.167 3756.54   415.338  3878.09   428.303  100.607 5.6737 102.217 5.7585 -0.000000      0.000000  
1 1 1 0  5  17 o 68.270  2.2251 1714.58   111.074 1763.36   139.766  1630.97   182.994  69.168  2.7669 66.330  3.7923 0.000000       0.000000  
1 1 1 0  5  18 o 117.024 3.2806 5038.44   280.885 4592.28   361.559  5717.61   446.092  111.518 4.4394 124.399 4.9098 0.000000       0.000000  
1 1 1 0  5  19 f 88.457  2.5010 2877.24   161.863 3051.18   244.771  2742.06   215.779  90.926  3.6865 86.218  3.4268 0.000000       0.000000  
1 1 1 0  5  20 o 115.631 3.7653 4926.92   318.357 6557.43   719.693  4530.26   354.976  132.548 7.4620 110.750 4.3886 0.000000       0.000000  
1 1 1 0  5  21 o 109.028 4.3400 4391.58   345.575 5046.33   555.727  3978.76   441.268  116.355 6.5640 103.389 5.8662 -0.000000      0.000000  
1 1 1 0  5  22 o 81.143  2.2760 2421.20   135.124 2595.69   203.876  2284.52   180.449  83.868  3.3285 78.689  3.1400 -0.000000      0.000000  
1 1 1 0  5  23 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  5  24 o 26.271  0.8922 253.870   17.135  287.555   26.835   230.681   22.265   27.911  1.3185 24.994  1.2220 0.000000       0.000000  
1 1 1 0  5  25 o 19.925  0.8004 146.237   11.647  164.258   17.548   132.048   15.571   21.072  1.1438 18.875  1.1349 -0.000000      0.000000  
1 1 1 0  5  26 o 44.616  1.5251 733.066   49.741  798.799   65.588   644.084   76.311   46.517  1.9313 41.619  2.5228 -0.000000      0.000000  
1 1 1 0  5  27 o 96.176  3.1757 3426.66   223.309 3199.04   255.378  4166.04   460.278  92.708  3.7725 104.692 6.0443 0.000000       0.000000  
1 1 1 0  5  28 o 79.639  2.2503 2340.74   131.116 2367.39   187.559  2315.26   183.363  79.801  3.2185 78.927  3.1814 -0.000000      0.000000  
1 1 1 0  5  29 o 34.309  1.2521 433.783   31.392  408.159   36.419   507.863   61.923   33.233  1.5021 36.913  2.3094 -0.000000      0.000000  
1 1 1 0  5  30 o 57.059  1.6538 1199.84   69.036  1150.67   94.388   1256.41   101.234  55.723  2.3202 58.223  2.3813 0.000000       0.000000  
1 1 1 0  5  31 o 100.420 3.2849 3760.94   241.196 3664.96   407.080  3812.86   299.411  97.399  5.7481 100.646 4.0739 0.000000       0.000000  
1 1 1 0  5  32 o 11.784  1.1235 52.373    9.5017  59.464    11.595   37.880    16.578   12.524  1.2949 9.0221  2.8513 0.000000       0.000000  
1 1 1 0  5  33 o 2.9934  1.7227 4.1389    6.0576  -2.5299   8.7076   10.393    8.4326   2.5833  1.7176 4.3712  2.1733 -0.000000      0.000000  
1 1 1 0  6  0  o 195.853 7.6684 14146.61  1096.99 14358.41  1574.13  13946.64  1529.57  196.672 10.999 193.840 10.843 -0.000000      0.000000  
1 1 1 0  6  1  o 209.105 8.2154 16164.42  1254.72 17007.42  1863.08  15464.72  1697.36  213.495 11.993 203.656 11.454 -0.000000      0.000000  
1 1 1 0  6  2  o 253.276 9.9557 23766.14  1841.71 23326.22  2556.74  24240.61  2655.20  249.555 14.080 254.340 14.347 0.000000       0.000000  
1 1 1 0  6  3  o 137.965 3.8126 6998.51   384.876 7094.99   552.541  6907.58   536.411  138.682 5.4550 136.844 5.3667 0.000000       0.000000  
1 1 1 0  6  4  o 82.654  2.2905 2510.28   138.521 2483.49   193.889  2538.22   197.970  82.102  3.2333 83.001  3.2656 -0.000000      0.000000  
1 1 1 0  6  5  o 315.865 8.7404 36809.90  2020.05 37029.89  2869.30  36593.71  2844.42  315.731 12.443 313.869 12.408 -0.000000      0.000000  
1 1 1 0  6  6  o 38.781  1.2781 553.018   36.240  533.841   60.619   563.684   45.209   37.973  2.1948 39.121  1.5825 0.000000       0.000000  
1 1 1 0  6  7  o 342.230 10.988 43234.89  2749.71 42691.19  4681.06  43521.34  3397.69  337.614 19.055 342.717 13.574 -0.000000      0.000000  
1 1 1 0  6  8  o 22.918  0.7277 193.075   12.197  215.253   18.926   177.322   15.951   24.164  1.0734 21.929  0.9971 0.000000       0.000000  
1 1 1 0  6  9  o 34.903  1.1801 448.013   30.112  471.042   54.539   437.914   36.115   35.664  2.1031 34.477  1.4348 -0.000000      0.000000  
1 1 1 0  6  10 o 281.220 7.8444 29104.06  1614.07 34313.20  2654.45  26048.16  2033.11  304.645 11.929 265.549 10.483 0.000000       0.000000  
1 1 1 0  6  11 o 245.190 7.9243 22146.63  1420.74 25292.55  1962.54  18682.51  2059.41  261.652 10.269 224.143 12.627 -0.000000      0.000000  
1 1 1 0  6  12 o 210.305 6.7910 16288.10  1044.33 16357.23  1291.64  16157.60  1774.69  210.481 8.4028 208.455 11.700 0.000000       0.000000  
1 1 1 0  6  13 o 131.995 3.6774 6404.19   355.150 5994.00   471.480  6942.21   539.976  127.508 5.0629 137.219 5.3877 -0.000000      0.000000  
1 1 1 0  6  14 o 34.608  1.4574 441.343   36.819  442.778   52.171   439.918   51.971   34.568  2.0762 34.456  2.0751 0.000000       0.000000  
1 1 1 0  6  15 o 44.788  1.2958 737.105   42.458  679.462   55.552   818.079   65.841   42.943  1.7718 47.123  1.9134 -0.000000      0.000000  
1 1 1 0  6  16 o 195.869 6.3297 14168.43  906.567 14277.35  1123.59  13965.27  1534.59  196.223 7.8407 192.989 10.929 0.000000       0.000000  
1 1 1 0  6  17 o 85.568  2.7652 2694.51   173.016 3019.55   333.810  2575.11   202.311  90.188  5.0868 83.567  3.3148 0.000000       0.000000  
1 1 1 0  6  18 o 67.506  2.2065 1676.65   108.912 1577.96   125.365  1980.36   219.923  65.427  2.6238 73.067  4.1368 -0.000000      0.000000  
1 1 1 0  6  19 o 66.853  1.8928 1642.80   92.578  1743.44   138.870  1562.29   124.204  68.764  2.7654 65.099  2.6126 -0.000000      0.000000  
1 1 1 0  6  20 o 110.493 3.0878 4491.88   249.630 5001.65   390.005  4138.10   324.904  116.348 4.5896 105.855 4.2026 -0.000000      0.000000  
1 1 1 0  6  21 o 53.780  1.7848 1064.09   70.180  1159.73   131.233  1025.78   83.053   55.922  3.2263 52.751  2.1562 -0.000000      0.000000  
1 1 1 0  6  22 o 155.382 4.3440 8904.65   493.853 9372.25   731.535  8513.08   669.418  158.872 6.3047 151.460 6.0520 -0.000000      0.000000  
1 1 1 0  6  23 o 10.795  0.9363 43.670    7.2800  43.610    8.9660   43.784    12.472   10.717  1.1777 10.508  1.7701 0.000000       0.000000  
1 1 1 0  6  24 o 13.359  0.7637 66.054    7.4217  65.112    10.604   66.958    10.391   13.187  1.1155 13.386  1.0750 0.000000       0.000000  
1 1 1 0  6  25 o 103.245 2.9103 3931.44   219.842 4010.90   315.303  3856.26   306.684  103.948 4.1535 101.925 4.1205 -0.000000      0.000000  
1 1 1 0  6  26 o 55.246  1.5864 1123.15   64.118  1146.67   92.482   1101.38   88.973   55.704  2.2737 54.596  2.2319 0.000000       0.000000  
1 1 1 0  6  27 o 54.556  1.8229 1097.33   72.707  1059.81   86.150   1190.23   135.545  53.536  2.2040 56.458  3.3013 0.000000       0.000000  
1 1 1 0  6  28 o 8.1148  1.1273 25.520    6.3354  27.815    9.1639   23.418    8.7684   8.2121  1.7296 7.3650  1.8789 0.000000       0.000000  
1 1 1 0  6  29 o 2.6342  1.6700 0.8429    6.9763  -19.2339  13.019   8.9300    8.2627   2.3637  1.6862 4.0829  2.1234 0.000000       0.000000  
1 1 1 0  6  30 o 39.783  1.2060 582.614   35.092  608.471   51.451   560.125   47.984   40.564  1.7378 38.920  1.6893 -0.000000      0.000000  
1 1 1 0  6  31 o 5.4609  1.7358 13.824    6.1161  15.207    8.4944   12.336    8.8134   5.4606  2.1866 4.7811  2.2429 -0.000000      0.000000  
1 1 1 0  6  32 o 70.500  2.0433 1840.19   105.385 2084.81   167.057  1678.50   135.819  74.592  3.0674 67.031  2.7753 -0.000000      0.000000  
1 1 1 0  6  33 o 24.469  1.0231 221.038   18.276  224.307   22.739   215.073   30.717   24.602  1.2687 23.956  1.7716 -0.000000      0.000000  
1 1 1 0  7  1  o 137.304 5.3826 6953.99   539.806 6849.90   752.151  7064.54   775.172  135.823 7.6099 137.928 7.7231 -0.000000      0.000000  
1 1 1 0  7  2  o 239.837 9.4245 21297.87  1650.93 21483.30  2354.97  21118.67  2315.07  239.604 13.508 237.585 13.392 -0.000000      0.000000  
1 1 1 0  7  3  o 17.816  0.5623 116.668   7.3259  119.555   10.549   113.978   10.182   18.008  0.8028 17.582  0.7938 0.000000       0.000000  
1 1 1 0  7  4  o 48.274  1.3630 856.173   48.141  876.734   69.974   837.696   66.334   48.788  1.9640 47.692  1.9045 0.000000       0.000000  
1 1 1 0  7  5  o 184.214 5.8760 12491.93  791.551 12031.13  1320.79  12750.20  988.790  179.974 10.085 185.895 7.2823 0.000000       0.000000  
1 1 1 0  7  6  o 45.636  2.6174 770.923   86.891  0.0000    0.0000   770.923   86.891   45.636  2.6174 45.636  2.6174 0.000000       0.000000  
1 1 1 0  7  7  o 18.442  0.7199 125.212   9.6975  125.190   11.814   125.257   16.980   18.419  0.8796 18.355  1.2763 0.000000       0.000000  
1 1 1 0  7  8  o 55.554  1.5638 1133.83   63.564  1126.54   89.116   1141.38   90.690   55.308  2.2063 55.669  2.2307 -0.000000      0.000000  
1 1 1 0  7  9  o 391.169 12.545 56517.45  3588.50 53743.04  4169.77  64439.84  7046.20  380.769 14.993 413.978 23.393 0.000000       0.000000  
1 1 1 0  7  10 o 166.499 4.6008 10189.91  560.500 10175.04  790.488  10204.94  794.865  166.128 6.5146 166.369 6.5413 0.000000       0.000000  
1 1 1 0  7  11 o 52.671  1.7272 1020.10   66.517  1071.28   85.299   940.677   106.255  53.931  2.1658 50.407  2.8978 -0.000000      0.000000  
1 1 1 0  7  12 o 216.783 6.9505 17314.11  1101.82 18636.92  1444.81  15475.57  1703.32  224.591 8.8076 203.919 11.479 0.000000       0.000000  
1 1 1 0  7  13 o 53.825  1.5316 1064.48   60.313  1099.74   88.232   1033.56   82.632   54.638  2.2114 52.970  2.1362 -0.000000      0.000000  
1 1 1 0  7  14 o 127.909 4.1271 6022.75   386.012 5654.10   442.630  7193.57   788.823  123.803 4.8953 139.120 7.7917 0.000000       0.000000  
1 1 1 0  7  15 o 103.645 2.8949 3949.49   219.528 4177.41   326.619  3761.69   296.484  106.419 4.2023 100.989 4.0199 -0.000000      0.000000  
1 1 1 0  7  16 o 229.791 6.3743 19496.89  1071.75 18512.45  1438.48  20725.22  1606.81  223.128 8.8271 235.954 9.3239 -0.000000      0.000000  
1 1 1 0  7  17 o 149.240 4.8116 8216.18   525.086 9313.82   1022.28  7822.81   611.985  157.749 8.9063 145.402 5.7629 0.000000       0.000000  
1 1 1 0  7  18 o 179.600 5.0247 11896.91  660.284 11824.20  937.159  11968.58  930.443  178.453 7.1914 179.576 7.0942 -0.000000      0.000000  
1 1 1 0  7  19 o 81.754  2.3109 2457.51   138.222 2947.63   230.646  2182.85   172.661  89.381  3.5332 76.932  3.0731 0.000000       0.000000  
1 1 1 0  7  20 o 48.980  1.4368 881.792   51.480  835.506   68.474   941.966   78.074   47.609  1.9699 50.545  2.1158 -0.000000      0.000000  
1 1 1 0  7  21 o 16.156  0.8637 96.493    10.161  112.673   19.046   90.057    12.013   17.331  1.5265 15.566  1.0643 -0.000000      0.000000  
1 1 1 0  7  22 o 18.769  0.7650 129.766   10.485  143.226   15.850   119.293   13.981   19.673  1.1072 17.944  1.0718 0.000000       0.000000  
1 1 1 0  7  23 o 32.854  1.1824 397.270   28.388  349.143   44.123   431.265   37.082   30.657  1.9826 34.196  1.4859 -0.000000      0.000000  
1 1 1 0  7  24 o 84.795  2.7522 2651.15   170.648 2726.79   303.017  2616.02   206.509  85.456  4.8740 84.103  3.3622 0.000000       0.000000  
1 1 1 0  7  25 o 88.977  2.5086 2918.16   163.307 2763.25   219.069  3111.91   245.004  86.345  3.4743 91.600  3.6625 0.000000       0.000000  
1 1 1 0  7  26 o 13.098  0.7866 63.581    7.4899  57.868    10.085   70.608    11.185   12.408  1.1305 13.737  1.1283 -0.000000      0.000000  
1 1 1 0  7  27 o 69.814  1.9963 1796.97   101.962 1864.32   150.063  1739.21   138.967  70.882  2.8994 68.486  2.7788 -0.000000      0.000000  
1 1 1 0  7  28 o 41.453  1.2582 632.492   38.150  750.017   61.980   560.805   48.407   45.041  1.8849 38.951  1.7030 -0.000000      0.000000  
1 1 1 0  7  29 o 14.521  1.1418 78.814    11.980  71.887    15.858   88.023    18.284   13.700  1.6416 15.198  1.6953 -0.000000      0.000000  
1 1 1 0  7  30 o 79.450  2.6356 2341.57   153.099 2212.56   248.751  2420.24   194.248  76.348  4.4805 80.504  3.3047 -0.000000      0.000000  
1 1 1 0  7  31 o 30.580  1.0219 344.434   22.846  358.766   32.796   330.924   31.843   31.136  1.4442 29.892  1.4613 -0.000000      0.000000  
1 1 1 0  7  32 o 28.304  0.9772 295.184   20.218  279.361   27.705   313.208   29.570   27.454  1.3849 29.079  1.3947 -0.000000      0.000000  
1 1 1 0  7  33 o 58.548  1.9969 1271.01   85.465  1040.29   121.639  1495.95   120.108  52.447  3.1913 63.290  2.5991 -0.000000      0.000000  
1 1 1 0  8  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  8  1  o 310.370 17.535 36142.59  3959.83 36142.59  3959.83  0.0000    0.0000   310.370 17.535 310.370 17.535 -0.000000      0.000000  
1 1 1 0  8  2  o 123.715 4.8508 5640.72   438.328 5806.02   637.366  5492.38   603.774  125.152 6.9982 121.730 6.8159 -0.000000      0.000000  
1 1 1 0  8  3  o 173.206 5.5277 11041.21  700.142 11193.82  1228.17  10967.73  852.174  173.640 9.7196 172.444 6.7658 -0.000000      0.000000  
1 1 1 0  8  4  o 44.963  1.2663 742.716   41.659  734.231   58.276   751.582   59.576   44.651  1.7872 45.175  1.8058 -0.000000      0.000000  
1 1 1 0  8  5  o 291.880 8.0527 31356.03  1719.81 30921.61  2399.98  31814.58  2465.72  289.231 11.361 293.364 11.507 -0.000000      0.000000  
1 1 1 0  8  6  o 280.175 8.9994 28925.36  1843.78 28150.82  2203.83  30732.10  3365.94  276.023 10.932 287.156 16.108 -0.000000      0.000000  
1 1 1 0  8  7  o 193.938 5.3461 13827.13  758.631 13835.91  1073.34  13818.36  1072.39  193.693 7.5868 193.570 7.5850 0.000000       0.000000  
1 1 1 0  8  8  o 194.358 5.3685 13888.10  763.466 13930.76  1082.55  13845.88  1076.88  194.342 7.6265 193.749 7.6097 -0.000000      0.000000  
1 1 1 0  8  9  o 150.971 4.8928 8385.96   540.124 6940.03   767.667  9803.49   760.090  136.828 7.7105 163.070 6.3815 -0.000000      0.000000  
1 1 1 0  8  10 o 314.058 10.049 36396.94  2307.79 38259.12  2962.49  33522.62  3680.56  321.392 12.620 299.419 16.894 -0.000000      0.000000  
1 1 1 0  8  11 o 257.317 7.1001 24376.71  1336.80 25125.78  1946.69  23708.24  1838.96  260.620 10.227 253.193 9.9441 0.000000       0.000000  
1 1 1 0  8  12 o 133.186 3.6828 6520.96   358.892 6489.53   504.786  6553.10   510.361  132.659 5.2097 133.305 5.2418 0.000000       0.000000  
1 1 1 0  8  13 o 15.886  0.6665 92.981    7.7296  88.868    10.625   97.605    11.265   15.486  0.9442 16.236  0.9542 -0.000000      0.000000  
1 1 1 0  8  14 o 14.820  0.7541 81.123    8.1427  88.423    14.337   77.647    9.8930   15.371  1.2937 14.464  0.9424 -0.000000      0.000000  
1 1 1 0  8  15 o 130.550 3.6208 6270.73   345.863 6189.24   483.751  6355.93   494.680  129.442 5.1169 131.172 5.1634 0.000000       0.000000  
1 1 1 0  8  16 o 43.618  1.2861 699.221   41.037  607.242   50.343   881.376   70.846   40.591  1.6989 48.906  1.9838 0.000000       0.000000  
1 1 1 0  8  17 o 154.042 4.9339 8756.89   555.779 8845.76   972.233  8713.75   677.370  153.713 8.6929 153.394 6.0460 0.000000       0.000000  
1 1 1 0  8  18 o 36.575  1.1075 491.711   29.629  457.185   39.300   537.179   45.099   35.214  1.5292 38.174  1.6184 -0.000000      0.000000  
1 1 1 0  8  19 o 95.549  2.6746 3357.91   186.983 3248.08   254.806  3486.07   275.243  93.808  3.7191 97.171  3.8786 0.000000       0.000000  
1 1 1 0  8  20 o 249.540 8.1030 23187.05  1478.52 21935.55  1709.98  26894.16  2943.02  241.868 9.6809 263.628 15.350 -0.000000      0.000000  
1 1 1 0  8  21 o 112.137 3.6230 4636.11   297.080 4901.01   383.492  4238.58   469.791  115.110 4.5616 106.607 6.0570 0.000000       0.000000  
1 1 1 0  8  22 f 41.985  1.2463 647.989   38.277  587.631   49.483   737.916   60.399   39.919  1.6982 44.737  1.8491 0.000000       0.000000  
1 1 1 0  8  23 o 22.902  0.9344 193.238   15.626  204.833   27.930   187.955   18.852   23.460  1.6428 22.554  1.1472 -0.000000      0.000000  
1 1 1 0  8  24 o 118.656 3.3204 5197.88   288.265 5055.87   395.347  5359.08   421.218  116.609 4.6423 120.009 4.8061 -0.000000      0.000000  
1 1 1 0  8  25 o 65.940  1.8795 1600.89   90.674  1730.12   137.504  1501.46   120.615  68.382  2.7535 63.717  2.5924 -0.000000      0.000000  
1 1 1 0  8  26 o 37.356  1.3131 514.028   35.854  498.090   59.932   522.911   44.743   36.586  2.2546 37.628  1.6293 0.000000       0.000000  
1 1 1 0  8  27 o 57.962  1.6735 1237.71   70.963  1185.03   95.942   1301.33   105.444  56.573  2.3227 59.268  2.4366 0.000000       0.000000  
1 1 1 0  8  28 o 34.029  1.0697 426.148   26.621  463.622   40.309   397.159   35.453   35.419  1.5596 32.781  1.4824 0.000000       0.000000  
1 1 1 0  8  29 o 31.157  1.1587 357.800   26.378  377.994   33.910   326.858   41.976   31.977  1.4537 29.607  1.9538 0.000000       0.000000  
1 1 1 0  8  30 o 11.213  0.8905 46.994    7.2125  40.833    9.4944   55.399    11.090   10.300  1.3164 12.080  1.2896 -0.000000      0.000000  
1 1 1 0  8  31 o 12.163  1.0169 55.444    8.9202  51.408    10.971   63.318    15.323   11.602  1.3362 12.778  1.7244 -0.000000      0.000000  
1 1 1 0  8  32 o 5.2528  1.7458 13.025    5.9833  10.543    8.0609   16.069    8.9289   4.4036  2.1358 5.6088  2.2411 -0.000000      0.000000  
1 1 1 0  9  1  o 76.626  3.0175 2162.46   168.877 2247.73   247.803  2088.52   230.762  77.926  4.3700 75.115  4.2219 -0.000000      0.000000  
1 1 1 0  9  2  o 312.673 12.285 36165.28  2805.56 38247.38  4186.03  34467.28  3780.26  319.936 17.981 303.856 17.097 0.000000       0.000000  
1 1 1 0  9  3  o 574.376 22.788 123390.00 9559.36 123903.40 13576.97 122885.20 13461.71 569.506 32.774 567.244 32.625 0.000000       0.000000  
1 1 1 0  9  4  o 280.181 7.7255 28886.78  1583.80 28148.88  2182.96  29706.91  2301.40  276.022 10.828 283.533 11.113 0.000000       0.000000  
1 1 1 0  9  5  o 127.184 3.5133 5943.88   326.943 6083.86   472.491  5815.28   452.867  128.499 5.0342 125.631 4.9353 -0.000000      0.000000  
1 1 1 0  9  6  o 184.472 7.2208 12549.18  972.932 12518.80  1372.13  12579.90  1379.77  183.664 10.266 184.109 10.298 0.000000       0.000000  
1 1 1 0  9  7  o 290.117 11.382 31121.54  2411.96 31587.40  3460.29  30681.30  3363.81  290.934 16.345 286.763 16.120 0.000000       0.000000  
1 1 1 0  9  8  o 459.814 14.762 78332.48  4963.41 75605.47  5863.14  85229.13  9324.12  450.592 17.816 473.828 27.049 -0.000000      0.000000  
1 1 1 0  9  9  o 184.288 5.0905 12487.91  686.414 12343.82  958.951  12639.31  982.965  182.917 7.1776 185.088 7.2712 -0.000000      0.000000  
1 1 1 0  9  10 o 158.522 5.0679 9248.84   587.481 8924.75   693.634  10071.34  1105.00  155.557 6.1049 164.676 9.2210 -0.000000      0.000000  
1 1 1 0  9  11 o 207.017 5.7275 15773.04  867.565 16938.04  1312.63  14869.36  1156.07  214.040 8.3963 200.590 7.8908 0.000000       0.000000  
1 1 1 0  9  12 o 127.519 3.5264 5978.68   329.030 5930.19   461.697  6028.72   469.025  126.794 4.9855 127.841 5.0231 -0.000000      0.000000  
1 1 1 0  9  13 o 153.070 4.9017 8633.29   548.661 8335.90   648.485  9382.40   1029.23  150.214 5.9107 158.652 8.9153 -0.000000      0.000000  
1 1 1 0  9  14 o 206.255 5.7301 15689.37  864.751 15633.74  1213.09  15746.84  1233.04  205.245 8.0924 205.956 8.1976 -0.000000      0.000000  
1 1 1 0  9  15 o 8.8259  0.7990 29.246    5.0715  36.444    7.6028   23.476    6.8074   9.7922  1.0943 7.6817  1.3281 -0.000000      0.000000  
1 1 1 0  9  16 o 18.475  0.7183 125.665   9.6933  116.550   13.098   136.700   14.412   17.745  1.0146 19.230  1.0293 0.000000       0.000000  
1 1 1 0  9  17 o 45.208  1.5385 751.915   50.845  650.585   76.165   833.376   68.290   41.889  2.5011 47.549  1.9671 -0.000000      0.000000  
1 1 1 0  9  18 f 74.356  2.1068 2032.69   114.614 2336.69   184.541  1841.78   146.239  79.589  3.1749 70.671  2.8336 -0.000000      0.000000  
1 1 1 0  9  19 o 16.049  0.7252 94.981    8.4911  89.620    11.792   100.755   12.237   15.531  1.0468 16.485  1.0218 -0.000000      0.000000  
1 1 1 0  9  20 o 154.840 6.1374 8899.21   694.061 8277.72   911.933  9754.85   1070.01  148.452 8.4435 160.952 9.1374 0.000000       0.000000  
1 1 1 0  9  21 o 49.508  1.4370 900.979   52.045  883.911   71.920   919.742   75.409   48.963  2.0118 49.942  2.0681 -0.000000      0.000000  
1 1 1 0  9  22 o 128.356 3.5927 6077.11   337.399 6746.78   524.793  5605.27   440.505  134.755 5.3322 122.907 4.9076 -0.000000      0.000000  
1 1 1 0  9  23 o 28.716  0.9275 303.243   19.475  338.634   30.058   277.636   25.567   30.295  1.3599 27.426  1.2782 -0.000000      0.000000  
1 1 1 0  9  24 o 18.053  0.8968 120.373   11.799  128.662   21.873   116.971   14.013   18.509  1.6421 17.761  1.0857 0.000000       0.000000  
1 1 1 0  9  25 o 18.018  0.7735 119.689   10.172  118.251   14.394   121.124   14.377   17.852  1.1099 18.073  1.0945 -0.000000      0.000000  
1 1 1 0  9  26 o 20.800  1.1202 160.113   16.966  164.257   24.519   156.306   23.500   20.962  1.6180 20.446  1.5903 -0.000000      0.000000  
1 1 1 0  9  27 o 44.817  1.3453 739.468   44.100  862.671   71.695   664.482   55.933   48.286  2.0340 42.394  1.8075 -0.000000      0.000000  
1 1 1 0  9  28 o 43.516  1.3006 697.184   41.398  648.936   54.585   762.509   63.515   41.890  1.7852 45.398  1.9166 -0.000000      0.000000  
1 1 1 0  9  29 o 48.541  1.6676 869.647   59.173  742.487   87.835   975.314   80.069   44.559  2.7124 51.305  2.1377 -0.000000      0.000000  
1 1 1 0  9  30 o 46.053  1.3731 781.607   46.257  812.796   68.042   754.806   63.075   46.824  1.9908 45.133  1.9145 0.000000       0.000000  
1 1 1 0  9  31 o 2.7650  1.7651 0.5869    7.9558  15.522    10.926   -16.2655  11.607   5.3547  2.4987 2.2640  1.6110 0.000000       0.000000  
1 1 1 0  9  32 o 10.653  0.9974 42.764    7.6314  23.701    9.7770   72.489    12.208   7.2418  2.1206 13.883  1.2215 0.000000       0.000000  
1 1 1 0  10 0  o 394.044 15.452 57380.22  4447.17 56214.02  6162.44  58647.62  6424.21  388.385 21.805 396.643 22.258 0.000000       0.000000  
1 1 1 0  10 1  o 463.574 18.296 79959.54  6194.49 78974.29  8653.61  80994.94  8871.09  457.190 26.016 462.881 26.342 -0.000000      0.000000  
1 1 1 0  10 2  o 354.784 13.942 46629.88  3612.71 46424.42  5086.56  46839.03  5132.03  352.059 19.856 353.608 19.946 -0.000000      0.000000  
1 1 1 0  10 3  o 142.998 5.6070 7536.11   585.625 7888.00   865.206  7238.58   795.567  145.874 8.1503 139.750 7.8229 -0.000000      0.000000  
1 1 1 0  10 4  o 169.180 5.3997 10531.68  668.037 10053.50  1104.43  10807.58  838.902  164.626 9.2190 171.205 6.7086 -0.000000      0.000000  
1 1 1 0  10 5  o 80.914  2.2427 2405.31   132.776 2443.62   190.714  2369.27   184.967  81.453  3.2057 80.205  3.1575 0.000000       0.000000  
1 1 1 0  10 6  o 287.664 9.1798 30512.63  1931.07 31305.52  3428.61  30144.26  2337.00  289.526 16.274 285.488 11.208 -0.000000      0.000000  
1 1 1 0  10 7  f 110.659 3.0638 4499.64   248.069 4297.17   335.272  4744.58   368.757  107.996 4.2505 113.477 4.4491 -0.000000      0.000000  
1 1 1 0  10 8  o 325.244 8.9901 38994.96  2139.47 37333.18  2896.50  40990.16  3173.80  317.347 12.497 332.422 13.072 0.000000       0.000000  
1 1 1 0  10 9  o 256.898 7.0898 24305.63  1332.68 24189.84  1875.14  24423.80  1894.40  255.653 10.042 256.879 10.097 0.000000       0.000000  
1 1 1 0  10 10 o 66.779  2.1598 1639.93   105.465 1603.69   178.918  1659.23   130.559  65.805  3.7371 67.113  2.6636 -0.000000      0.000000  
1 1 1 0  10 11 o 150.614 4.2297 8345.04   466.102 9432.98   731.461  7601.28   604.792  159.818 6.2662 143.481 5.7720 -0.000000      0.000000  
1 1 1 0  10 12 o 131.210 3.6346 6332.22   348.939 6241.73   485.703  6428.74   501.630  130.034 5.1140 131.959 5.2048 -0.000000      0.000000  
1 1 1 0  10 13 o 14.419  0.7400 76.799    7.7732  75.227    9.8065   79.458    12.750   14.232  0.9498 14.574  1.2129 -0.000000      0.000000  
1 1 1 0  10 14 o 62.516  2.0644 1437.86   94.359  1517.86   122.275  1320.09   148.364  64.166  2.6097 59.676  3.4176 0.000000       0.000000  
1 1 1 0  10 15 o 221.634 8.7828 18316.29  1421.67 18864.40  2068.46  17825.54  1957.23  222.850 12.759 216.777 12.411 0.000000       0.000000  
1 1 1 0  10 16 o 82.397  2.6606 2499.03   160.303 2515.27   197.777  2467.93   273.690  82.573  3.2796 81.522  4.6142 -0.000000      0.000000  
1 1 1 0  10 17 o 67.123  2.2075 1657.98   108.339 1543.84   123.173  2048.09   227.710  64.707  2.6067 74.281  4.2134 0.000000       0.000000  
1 1 1 0  10 18 o 21.302  0.7792 166.980   12.128  156.500   16.432   179.520   17.976   20.575  1.0967 22.045  1.1191 -0.000000      0.000000  
1 1 1 0  10 19 o 23.278  0.8103 199.327   13.788  210.364   20.307   189.889   18.780   23.870  1.1671 22.675  1.1365 -0.000000      0.000000  
1 1 1 0  10 20 o 68.675  2.2392 1735.98   112.440 1743.35   138.440  1721.70   192.735  68.743  2.7577 68.088  3.8910 0.000000       0.000000  
1 1 1 0  10 21 o 74.015  2.0877 2015.06   113.055 2078.11   164.949  1959.20   155.259  75.022  3.0107 72.850  2.9183 -0.000000      0.000000  
1 1 1 0  10 22 o 65.374  1.8605 1572.07   88.987  1483.96   118.603  1685.55   134.605  63.402  2.5617 67.560  2.7284 0.000000       0.000000  
1 1 1 0  10 23 o 61.437  1.7558 1388.73   78.917  1405.84   113.073  1372.47   110.192  61.689  2.5102 60.956  2.4756 0.000000       0.000000  
1 1 1 0  10 24 o 16.150  0.8954 96.518    10.524  106.807   19.832   92.484    12.417   16.820  1.6447 15.769  1.0862 0.000000       0.000000  
1 1 1 0  10 25 o 7.9197  1.0397 24.167    5.7467  26.545    8.4669   22.135    7.8250   8.0634  1.6150 7.2412  1.6965 -0.000000      0.000000  
1 1 1 0  10 26 o 43.983  1.5140 713.148   48.675  672.207   56.426   832.231   96.233   42.641  1.8128 47.217  2.8032 0.000000       0.000000  
1 1 1 0  10 27 o 81.741  2.3366 2469.76   139.734 2735.55   216.398  2279.68   183.001  85.615  3.4613 78.225  3.2039 -0.000000      0.000000  
1 1 1 0  10 28 o 22.773  0.8563 191.037   14.246  179.008   19.415   205.068   20.969   21.981  1.2135 23.538  1.2230 0.000000       0.000000  
1 1 1 0  10 29 f 3.1614  1.7801 4.8834    6.2760  -3.7139   9.7517   10.962    8.1999   2.6655  1.7864 4.4998  2.1574 -0.000000      0.000000  
1 1 1 0  10 30 o 12.645  0.8702 59.505    7.9778  51.701    10.694   69.295    11.979   11.651  1.2931 13.569  1.2276 0.000000       0.000000  
1 1 1 0  10 31 o 10.542  0.9559 41.805    7.2469  43.072    10.118   40.471    10.385   10.564  1.3703 10.178  1.4843 -0.000000      0.000000  
1 1 1 0  10 32 o 27.049  0.9480 269.669   18.742  241.513   24.470   309.625   29.150   25.520  1.3162 28.905  1.3831 0.000000       0.000000  
1 1 1 0  11 1  o 10.113  0.6594 37.959    4.8402  37.343    7.2457   38.455    6.5044   9.9404  1.0190 10.127  0.8922 0.000000       0.000000  
1 1 1 0  11 2  o 21.010  0.9275 162.722   14.220  162.689   20.012   162.755   20.210   20.946  1.3154 20.948  1.3286 -0.000000      0.000000  
1 1 1 0  11 3  o 199.112 7.8002 14629.77  1134.41 14392.06  1578.48  14883.70  1631.43  196.800 11.022 200.119 11.203 0.000000       0.000000  
1 1 1 0  11 4  o 250.004 9.8258 23099.35  1794.19 24729.59  2707.72  21823.30  2395.58  257.507 14.450 242.010 13.603 -0.000000      0.000000  
1 1 1 0  11 5  o 294.971 9.4190 32103.09  2031.71 31959.42  2477.39  32398.19  3550.59  293.810 11.544 294.262 16.583 -0.000000      0.000000  
1 1 1 0  11 6  f 316.380 10.111 36966.43  2339.37 35796.12  3924.67  37611.40  2913.53  308.953 17.459 318.490 12.525 -0.000000      0.000000  
1 1 1 0  11 7  o 216.613 5.9742 17266.76  946.886 17069.38  1324.16  17473.31  1354.56  214.928 8.4351 217.447 8.5287 0.000000       0.000000  
1 1 1 0  11 8  o 236.714 6.5351 20635.78  1131.90 20847.11  1617.01  20432.73  1584.96  237.329 9.3284 234.971 9.2353 0.000000       0.000000  
1 1 1 0  11 9  o 173.164 4.7811 11032.85  605.789 10904.40  846.954  11167.39  866.821  171.812 6.7492 173.865 6.8259 -0.000000      0.000000  
1 1 1 0  11 10 f 130.117 4.1663 6233.25   396.423 5849.89   644.626  6466.40   502.722  125.477 7.0602 132.370 5.1998 -0.000000      0.000000  
1 1 1 0  11 11 o 128.449 3.5567 6068.83   334.275 6211.44   483.192  5937.94   462.931  129.706 5.1005 126.824 4.9977 0.000000       0.000000  
1 1 1 0  11 12 o 74.364  2.0835 2032.58   113.360 1924.28   151.616  2169.86   170.707  72.252  2.8733 76.719  3.0467 -0.000000      0.000000  
1 1 1 0  11 13 o 134.359 4.3188 6654.89   424.320 7102.72   552.349  6010.07   662.793  138.585 5.4569 126.972 7.1742 0.000000       0.000000  
1 1 1 0  11 14 o 94.870  2.6507 3310.14   183.997 3177.02   248.870  3470.64   273.258  92.784  3.6726 96.962  3.8588 0.000000       0.000000  
1 1 1 0  11 15 o 14.139  0.7046 73.817    7.2611  87.172    11.246   64.270    9.5088   15.322  1.0115 13.128  1.0016 -0.000000      0.000000  
1 1 1 0  11 16 o 208.634 5.7893 16090.44  883.758 15713.84  1221.25  16504.48  1280.50  205.306 8.1447 210.347 8.3351 -0.000000      0.000000  
1 1 1 0  11 17 o 39.196  1.3420 565.224   38.452  528.150   62.948   587.293   48.566   37.735  2.2954 39.917  1.6666 -0.000000      0.000000  
1 1 1 0  11 18 o 25.434  1.0036 238.227   18.643  217.026   20.990   317.434   40.571   24.244  1.1877 29.233  1.9122 -0.000000      0.000000  
1 1 1 0  11 19 o 35.294  1.0871 457.951   28.062  434.997   37.484   487.219   42.327   34.346  1.4955 36.346  1.5959 0.000000       0.000000  
1 1 1 0  11 20 o 34.876  1.2444 447.652   31.717  411.961   50.165   471.422   40.938   33.315  2.0727 35.750  1.5692 -0.000000      0.000000  
1 1 1 0  11 21 o 34.581  1.0537 439.646   26.652  446.984   38.171   432.664   37.230   34.813  1.5023 34.249  1.4895 -0.000000      0.000000  
1 1 1 0  11 22 o 59.642  1.7014 1308.48   74.238  1243.89   99.918   1388.08   110.919  58.045  2.3574 61.310  2.4775 -0.000000      0.000000  
1 1 1 0  11 23 o 114.942 3.2347 4883.96   272.027 4694.62   369.431  5108.21   402.043  112.227 4.5076 117.003 4.7054 -0.000000      0.000000  
1 1 1 0  11 24 o 10.788  1.2629 44.426    9.6281  41.163    13.721   47.590    13.514   9.9683  2.1390 10.949  1.8400 0.000000       0.000000  
1 1 1 0  11 25 f 50.802  2.1191 954.832   78.594  1179.46   133.635  836.050   97.178   56.162  3.2718 47.333  2.8241 -0.000000      0.000000  
1 1 1 0  11 26 o 6.8943  1.7942 20.637    7.8347  14.711    11.844   25.247    10.447   5.2055  2.5778 7.4846  2.1923 -0.000000      0.000000  
1 1 1 0  11 27 o 26.513  1.2918 259.979   24.967  222.841   31.621   321.470   40.688   24.417  1.7889 29.368  1.9087 -0.000000      0.000000  
1 1 1 0  11 28 o 53.084  1.7925 1040.75   69.564  912.352   105.660  1138.98   92.420   49.348  2.9452 55.413  2.2843 0.000000       0.000000  
1 1 1 0  11 29 o 2.1449  1.4064 -0.8751   5.5261  -6.3862   7.6206   5.2370    8.0254   2.0879  1.4462 3.4054  1.9727 -0.000000      0.000000  
1 1 1 0  11 30 o 38.954  1.2079 559.402   34.413  502.710   44.566   643.123   54.158   36.821  1.6590 41.641  1.7819 0.000000       0.000000  
1 1 1 0  11 31 o 23.791  0.8873 208.686   15.424  187.196   20.134   239.204   23.994   22.460  1.2315 25.399  1.2966 -0.000000      0.000000  
1 1 1 0  12 0  o 317.888 12.466 37334.16  2894.43 38364.30  4203.24  36405.12  3991.64  320.885 18.001 312.639 17.546 0.000000       0.000000  
1 1 1 0  12 1  o 103.451 4.0662 3943.18   307.239 3734.85   411.425  4205.83   461.955  100.409 5.6308 106.546 5.9580 -0.000000      0.000000  
1 1 1 0  12 2  o 136.618 5.3538 6880.76   534.238 6902.77   757.873  6859.01   753.203  136.421 7.6340 135.989 7.6111 0.000000       0.000000  
1 1 1 0  12 3  o 61.648  2.4462 1399.78   110.138 1327.52   147.786  1490.04   165.178  59.883  3.3919 63.443  3.5781 -0.000000      0.000000  
1 1 1 0  12 4  o 132.474 5.1997 6470.26   503.117 6757.04   741.672  6225.81   684.762  134.957 7.5519 129.555 7.2633 -0.000000      0.000000  
1 1 1 0  12 5  o 72.176  2.3194 1915.64   122.416 1855.07   205.820  1948.79   152.279  70.778  3.9966 72.736  2.8665 -0.000000      0.000000  
1 1 1 0  12 6  f 16.496  0.5919 100.118   7.1361  103.271   10.171   97.062    10.014   16.724  0.8345 16.208  0.8483 0.000000       0.000000  
1 1 1 0  12 7  o 48.694  1.3747 871.178   48.978  875.899   69.646   866.558   68.890   48.764  1.9557 48.503  1.9449 0.000000       0.000000  
1 1 1 0  12 8  o 74.059  2.0632 2015.49   111.799 2042.20   159.869  1989.92   156.404  74.448  2.9402 73.487  2.9141 0.000000       0.000000  
1 1 1 0  12 9  o 197.061 5.4446 14307.66  785.047 14059.98  1091.41  14573.19  1130.04  194.831 7.6697 198.335 7.8009 0.000000       0.000000  
1 1 1 0  12 10 o 73.636  2.0563 1992.82   110.786 2033.23   159.997  1955.60   153.552  74.270  2.9497 72.841  2.8864 0.000000       0.000000  
1 1 1 0  12 11 o 49.396  1.6280 897.443   58.797  866.008   98.828   914.666   73.151   48.340  2.8110 49.822  2.0106 0.000000       0.000000  
1 1 1 0  12 12 o 125.090 3.4729 5758.85   317.862 6247.80   485.454  5391.91   420.550  129.996 5.1129 120.795 4.7668 -0.000000      0.000000  
1 1 1 0  12 13 o 42.371  1.4129 660.376   43.768  642.876   73.720   669.903   54.391   41.649  2.4339 42.636  1.7472 -0.000000      0.000000  
1 1 1 0  12 14 o 94.780  2.6435 3304.24   183.323 3185.50   250.756  3440.57   268.689  92.891  3.6962 96.535  3.8109 -0.000000      0.000000  
1 1 1 0  12 15 o 68.757  1.9445 1737.98   97.817  1717.25   137.434  1759.27   139.253  68.235  2.7582 69.069  2.7607 -0.000000      0.000000  
1 1 1 0  12 16 o 100.489 2.7947 3715.22   205.481 3669.63   287.308  3762.95   293.997  99.674  3.9467 100.931 3.9882 0.000000       0.000000  
1 1 1 0  12 17 o 5.9521  1.3566 14.839    5.1577  12.955    7.2482   16.771    7.3408   5.0526  2.0192 6.0386  1.8902 -0.000000      0.000000  
1 1 1 0  12 18 o 110.885 3.5700 4534.14   289.471 4723.86   368.286  4227.49   468.220  112.995 4.4626 106.420 6.0474 -0.000000      0.000000  
1 1 1 0  12 19 o 50.106  1.6800 923.920   61.543  1002.16   81.282   818.807   94.213   52.129  2.1355 46.977  2.7580 -0.000000      0.000000  
1 1 1 0  12 20 f 79.843  2.2514 2346.08   131.518 2215.21   175.830  2512.29   198.154  77.427  3.1097 82.441  3.2912 -0.000000      0.000000  
1 1 1 0  12 21 o 37.552  1.1370 518.500   31.230  513.101   43.720   524.127   44.627   37.293  1.6062 37.692  1.6222 0.000000       0.000000  
1 1 1 0  12 22 o 10.519  0.8883 41.428    6.7359  40.927    9.3695   41.963    9.6907   10.328  1.2925 10.453  1.3225 0.000000       0.000000  
1 1 1 0  12 23 o 32.059  1.0060 378.066   23.587  361.003   32.200   397.823   34.649   31.267  1.4116 32.826  1.4465 0.000000       0.000000  
1 1 1 0  12 24 o 31.089  1.1426 356.069   25.956  329.743   41.957   372.391   33.036   29.756  1.9428 31.751  1.4261 -0.000000      0.000000  
1 1 1 0  12 25 o 37.594  1.3164 520.878   36.174  546.535   46.283   480.602   57.989   38.453  1.6490 35.909  2.2227 -0.000000      0.000000  
1 1 1 0  12 26 o 12.054  0.7977 53.983    6.9766  51.407    9.6771   56.769    10.067   11.665  1.1580 12.280  1.1412 0.000000       0.000000  
1 1 1 0  12 27 o 47.547  1.4044 832.920   48.846  921.268   75.528   769.401   64.041   49.864  2.0747 45.584  1.9246 -0.000000      0.000000  
1 1 1 0  12 28 o 19.129  0.8071 134.951   11.271  140.898   16.397   129.625   15.518   19.485  1.1574 18.684  1.1429 -0.000000      0.000000  
1 1 1 0  12 29 o 11.396  0.9001 48.553    7.4107  45.734    10.367   51.499    10.597   10.909  1.3524 11.629  1.2831 0.000000       0.000000  
1 1 1 0  12 30 o 19.975  1.2153 148.349   17.643  0.0000    0.0000   148.349   17.643   19.975  1.2153 19.975  1.2153 0.000000       0.000000  
1 1 1 0  12 31 o 21.994  0.8641 178.423   13.882  211.748   21.867   155.927   17.966   23.893  1.2566 20.485  1.2061 0.000000       0.000000  
1 1 1 0  13 1  o 133.314 5.2362 6555.20   509.858 6979.49   765.437  6216.81   683.581  137.099 7.6721 129.415 7.2587 0.000000       0.000000  
1 1 1 0  13 2  o 298.217 11.771 33053.32  2563.76 34588.98  3787.64  31754.80  3482.91  302.751 17.196 290.310 16.490 0.000000       0.000000  
1 1 1 0  13 3  o 232.440 9.1391 20011.20  1551.56 20267.46  2221.84  19767.29  2167.63  232.638 13.126 229.784 12.965 0.000000       0.000000  
1 1 1 0  13 4  o 167.459 6.5849 10359.33  805.397 11055.59  1212.50  9809.55   1077.43  172.258 9.6731 162.323 9.1217 -0.000000      0.000000  
1 1 1 0  13 5  o 22.676  1.4490 190.779   23.858  190.779   23.858   0.0000    0.0000   22.676  1.4490 22.676  1.4490 -0.000000      0.000000  
1 1 1 0  13 6  o 127.404 3.5191 5969.20   328.049 5961.92   463.233  5976.53   464.634  127.104 4.9898 127.258 4.9988 0.000000       0.000000  
1 1 1 0  13 7  o 7.2589  0.5970 19.700    3.1269  21.117    4.7607   18.625    4.1467   7.4277  0.9112 6.9803  0.8432 -0.000000      0.000000  
1 1 1 0  13 8  o 61.602  1.7241 1394.49   77.706  1427.90   112.415  1363.92   107.533  62.249  2.4727 60.839  2.4201 0.000000       0.000000  
1 1 1 0  13 9  o 8.0000  0.7215 24.024    4.1517  15.977    5.3320   36.415    6.6167   6.2190  1.3320 9.8358  0.9374 0.000000       0.000000  
1 1 1 0  13 10 o 74.578  2.0782 2044.47   113.398 2062.19   161.737  2027.33   159.036  74.786  2.9611 74.152  2.9366 0.000000       0.000000  
1 1 1 0  13 11 o 88.728  3.5210 2905.06   228.165 3178.22   350.908  2704.99   300.314  92.468  5.2154 85.331  4.8372 -0.000000      0.000000  
1 1 1 0  13 12 o 93.656  3.0074 3230.11   205.967 3170.26   349.993  3261.82   254.751  92.333  5.2095 93.999  3.7107 0.000000       0.000000  
1 1 1 0  13 13 o 161.570 4.4761 9627.34   529.164 9780.93   759.876  9482.74   737.335  162.325 6.4094 159.850 6.3156 0.000000       0.000000  
1 1 1 0  13 14 o 59.407  1.6824 1297.23   73.122  1236.69   98.902   1370.22   108.597  57.917  2.3385 60.963  2.4392 0.000000       0.000000  
1 1 1 0  13 15 o 46.580  1.3422 797.422   45.736  752.017   61.132   855.148   68.930   45.169  1.8536 48.166  1.9598 -0.000000      0.000000  
1 1 1 0  13 16 o 2.2741  1.4046 1.3620    4.6058  0.2245    6.7185   2.3706    6.3263   2.5158  1.6123 2.7401  1.6705 -0.000000      0.000000  
1 1 1 0  13 17 o 8.6389  0.9148 28.265    5.6437  32.517    8.1355   24.322    7.8357   9.1588  1.2843 7.7133  1.5657 0.000000       0.000000  
1 1 1 0  13 18 o 80.583  3.2193 2398.30   189.454 2246.09   251.156  2599.27   288.583  77.689  4.4439 83.546  4.7477 0.000000       0.000000  
1 1 1 0  13 19 o 38.014  1.6040 532.889   44.511  594.587   69.090   489.110   58.198   40.030  2.3739 36.302  2.2059 0.000000       0.000000  
1 1 1 0  13 20 o 47.578  1.3858 832.379   48.233  769.165   63.183   920.670   74.672   45.660  1.8954 49.951  2.0473 -0.000000      0.000000  
1 1 1 0  13 21 o 23.141  0.8276 197.075   13.996  180.670   18.654   218.204   21.170   22.104  1.1587 24.304  1.1950 0.000000       0.000000  
1 1 1 0  13 22 f 63.551  1.8174 1487.35   84.499  1448.82   117.314  1528.90   121.811  62.567  2.5680 64.275  2.5952 0.000000       0.000000  
1 1 1 0  13 23 o 12.921  0.8287 61.973    7.7742  53.093    10.468   72.894    11.609   11.838  1.2374 13.954  1.1532 -0.000000      0.000000  
1 1 1 0  13 24 o 1.9733  1.3528 -4.2585   6.2699  -9.8183   7.4513   9.2247    11.604   1.8502  1.3118 4.3216  2.4257 0.000000       0.000000  
1 1 1 0  13 25 o 25.959  1.2387 249.113   23.446  223.037   30.711   285.547   36.302   24.442  1.7343 27.683  1.8068 -0.000000      0.000000  
1 1 1 0  13 26 o 53.820  1.5667 1067.80   61.684  1157.35   93.289   998.239   82.224   55.857  2.2873 51.889  2.1706 -0.000000      0.000000  
1 1 1 0  13 27 o 28.364  0.9496 296.228   19.691  265.463   25.480   341.848   31.028   26.785  1.3049 30.400  1.3992 -0.000000      0.000000  
1 1 1 0  13 28 o 3.2965  1.7414 5.7774    5.6226  -1.8476   7.8870   13.657    8.0178   2.5018  1.6538 5.1311  2.1359 0.000000       0.000000  
1 1 1 0  13 29 o 3.5820  1.8092 6.9536    5.8904  1.5405    8.0146   13.313    8.6866   2.8843  1.8124 4.9925  2.2317 -0.000000      0.000000  
1 1 1 0  13 30 o 10.719  2.2845 47.856    15.773  0.0000    0.0000   47.856    15.773   10.719  2.2845 10.719  2.2845 0.000000       0.000000  
1 1 1 0  14 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  14 1  o 11.468  0.6910 48.723    5.7603  61.466    8.6475   38.558    7.7233   12.850  0.9293 10.088  1.0752 -0.000000      0.000000  
1 1 1 0  14 2  o 173.065 6.7981 11079.42  859.318 10816.30  1186.34  11369.85  1246.40  170.202 9.5790 174.463 9.8182 -0.000000      0.000000  
1 1 1 0  14 3  o 100.600 3.9567 3732.37   290.723 3604.34   397.106  3880.25   426.785  98.546  5.5378 102.238 5.7366 -0.000000      0.000000  
1 1 1 0  14 4  o 214.933 8.4840 17150.18  1331.82 18176.09  1990.79  16319.07  1791.84  219.708 12.454 208.360 11.820 -0.000000      0.000000  
1 1 1 0  14 5  o 76.957  4.3425 2196.24   243.164 0.0000    0.0000   2196.24   243.164  76.957  4.3425 76.957  4.3425 0.000000       0.000000  
1 1 1 0  14 6  o 14.205  0.8579 74.761    8.8578  66.971    11.298   87.186    14.269   13.364  1.1743 15.259  1.2974 -0.000000      0.000000  
1 1 1 0  14 7  o 101.483 2.8109 3787.59   208.720 3823.48   297.660  3752.88   292.751  101.781 4.0041 100.838 3.9749 0.000000       0.000000  
1 1 1 0  14 8  f 86.340  2.3968 2740.87   151.413 2844.79   221.833  2650.23   207.179  87.814  3.4587 84.763  3.3466 0.000000       0.000000  
1 1 1 0  14 9  o 103.446 2.8655 3936.53   216.888 3936.58   306.745  3936.49   306.708  103.249 4.0677 103.248 4.0672 -0.000000      0.000000  
1 1 1 0  14 10 o 56.661  1.5946 1179.95   66.106  1181.79   93.647   1178.14   93.329   56.622  2.2647 56.535  2.2605 0.000000       0.000000  
1 1 1 0  14 11 o 57.472  1.8753 1215.25   78.806  1205.06   95.689   1236.73   138.932  57.175  2.2917 57.745  3.3073 0.000000       0.000000  
1 1 1 0  14 12 o 165.374 5.3020 10113.73  641.174 10240.68  1123.73  10052.46  780.732  164.853 9.3693 164.499 6.4983 0.000000       0.000000  
1 1 1 0  14 13 o 19.088  0.7017 134.088   9.7876  142.454   14.287   126.689   13.436   19.638  0.9984 18.511  0.9969 -0.000000      0.000000  
1 1 1 0  14 14 o 14.871  0.7453 81.660    8.0772  82.777    10.233   79.815    13.155   14.939  0.9432 14.596  1.2507 -0.000000      0.000000  
1 1 1 0  14 15 o 3.8350  1.6058 7.6055    4.5271  2.2876    6.5086   12.590    6.3011   2.7567  1.6871 5.0851  1.8416 -0.000000      0.000000  
1 1 1 0  14 16 o 34.938  1.0543 448.705   26.944  430.300   36.822   469.918   39.531   34.160  1.4769 35.701  1.5169 -0.000000      0.000000  
1 1 1 0  14 17 o 34.145  1.0475 428.617   26.161  462.696   39.207   401.269   35.123   35.423  1.5164 32.983  1.4594 0.000000       0.000000  
1 1 1 0  14 18 o 12.858  0.8831 61.462    8.2330  77.682    16.146   55.763    9.5708   14.293  1.5916 12.188  1.0915 -0.000000      0.000000  
1 1 1 0  14 19 o 4.9655  1.7817 11.964    5.9299  20.948    10.333   7.5513    7.2412   6.5739  2.3489 3.7710  1.9805 -0.000000      0.000000  
1 1 1 0  14 20 o 48.725  1.4233 873.306   50.734  807.460   67.061   961.429   77.580   46.765  1.9643 51.030  2.0820 0.000000       0.000000  
1 1 1 0  14 21 o 42.638  1.2617 668.803   39.354  674.944   55.878   662.760   55.435   42.753  1.7903 42.363  1.7926 -0.000000      0.000000  
1 1 1 0  14 22 o 12.452  0.8074 57.573    7.2983  48.533    9.9250   68.216    10.769   11.302  1.2356 13.502  1.1053 0.000000       0.000000  
1 1 1 0  14 23 o 9.1215  0.9981 31.604    6.4697  39.382    9.2919   24.285    9.0135   10.109  1.3156 7.5113  1.8931 0.000000       0.000000  
1 1 1 0  14 24 o 53.081  1.5358 1038.33   59.638  1061.63   86.112   1016.85   82.675   53.521  2.2036 52.386  2.1616 0.000000       0.000000  
1 1 1 0  14 25 o 7.5378  1.2938 22.617    6.5159  27.542    9.0798   17.387    9.3562   8.1660  1.7240 5.8763  2.2816 0.000000       0.000000  
1 1 1 0  14 26 o 53.795  1.5578 1067.18   61.309  1072.37   87.198   1062.10   86.217   53.755  2.2218 53.500  2.2072 0.000000       0.000000  
1 1 1 0  14 27 o 24.257  0.8815 216.791   15.625  244.792   23.646   195.088   20.817   25.716  1.2614 22.940  1.2465 -0.000000      0.000000  
1 1 1 0  14 28 o 25.697  0.8991 243.320   16.887  253.209   24.576   234.474   23.245   26.142  1.2897 25.154  1.2681 0.000000       0.000000  
1 1 1 0  14 29 o 8.0774  1.5042 26.370    7.9992  18.043    9.0716   55.477    16.960   6.0493  2.2163 11.667  2.2158 -0.000000      0.000000  
1 1 1 0  14 30 o 14.909  1.0311 82.851    11.144  77.313    20.828   85.072    13.191   13.957  2.1993 15.062  1.2129 0.000000       0.000000  
1 1 1 0  15 1  o 100.613 3.9539 3735.72   290.563 3695.90   406.668  3777.25   415.305  99.723  5.6042 100.810 5.6614 0.000000       0.000000  
1 1 1 0  15 2  o 22.731  0.9984 190.478   16.561  194.235   23.572   186.817   23.273   22.887  1.4176 22.439  1.4283 -0.000000      0.000000  
1 1 1 0  15 3  o 81.569  3.2156 2453.76   191.575 2441.83   269.728  2465.91   272.145  81.110  4.5702 81.508  4.5886 0.000000       0.000000  
1 1 1 0  15 4  o 37.743  1.5447 524.884   42.571  509.914   58.716   541.473   61.811   37.096  2.1766 38.230  2.2231 0.000000       0.000000  
1 1 1 0  15 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  15 6  o 178.119 7.0307 11786.89  914.641 11951.86  1310.77  11630.33  1276.89  178.087 10.117 175.714 9.9882 0.000000       0.000000  
1 1 1 0  15 7  o 25.084  0.7769 231.289   14.252  240.812   16.871   207.552   26.635   25.584  0.9022 23.641  1.5525 0.000000       0.000000  
1 1 1 0  15 8  o 39.166  1.1249 563.709   32.231  562.732   45.506   564.694   45.659   39.078  1.5948 39.146  1.5974 -0.000000      0.000000  
1 1 1 0  15 9  o 72.784  2.0296 1947.67   108.085 1942.73   152.385  1952.67   153.330  72.574  2.8750 72.758  2.8855 0.000000       0.000000  
1 1 1 0  15 10 o 13.739  0.6236 69.608    6.2506  68.450    8.8375   70.767    8.8419   13.577  0.8970 13.811  0.8817 -0.000000      0.000000  
1 1 1 0  15 11 o 94.629  2.6282 3294.49   181.973 3306.57   258.381  3282.59   256.327  94.615  3.7391 94.273  3.7228 0.000000       0.000000  
1 1 1 0  15 12 o 44.727  2.5889 741.630   84.221  741.630   84.221   0.0000    0.0000   44.727  2.5889 44.727  2.5889 -0.000000      0.000000  
1 1 1 0  15 13 o 65.571  1.8435 1580.78   88.444  1671.83   131.861  1506.32   119.246  67.322  2.6819 63.907  2.5550 0.000000       0.000000  
1 1 1 0  15 14 o 27.697  0.8727 282.034   17.678  283.952   25.185   280.172   24.820   27.746  1.2441 27.561  1.2343 0.000000       0.000000  
1 1 1 0  15 15 o 40.969  1.1962 616.955   35.850  610.550   50.316   623.558   51.093   40.694  1.6936 41.126  1.7016 0.000000       0.000000  
1 1 1 0  15 16 o 113.612 3.1639 4757.02   263.003 4650.60   364.568  4872.51   379.784  112.020 4.4562 114.651 4.5355 -0.000000      0.000000  
1 1 1 0  15 17 o 55.734  1.5882 1142.32   64.760  1124.71   90.376   1160.91   92.845   55.207  2.2418 56.089  2.2668 -0.000000      0.000000  
1 1 1 0  15 18 o 116.147 3.7498 4992.20   318.472 4892.94   382.460  5216.67   575.136  114.714 4.5652 117.501 6.7285 0.000000       0.000000  
1 1 1 0  15 19 o 15.173  0.9227 85.342    10.174  77.200    18.959   88.635    12.057   14.117  1.9355 15.435  1.0779 0.000000       0.000000  
1 1 1 0  15 20 o 18.991  0.7657 132.878   10.620  132.099   15.084   133.642   14.953   18.882  1.0984 18.996  1.0820 0.000000       0.000000  
1 1 1 0  15 21 o 40.447  1.2032 601.974   35.600  598.385   50.104   605.632   50.591   40.243  1.7056 40.486  1.7118 0.000000       0.000000  
1 1 1 0  15 22 o 26.737  0.8919 263.091   17.435  260.765   24.575   265.448   24.740   26.560  1.2690 26.800  1.2659 0.000000       0.000000  
1 1 1 0  15 23 o 29.780  0.9640 326.436   20.993  323.869   29.579   329.042   29.799   29.596  1.3702 29.833  1.3693 0.000000       0.000000  
1 1 1 0  15 24 o 40.704  1.4057 611.097   41.826  609.951   51.389   613.346   71.988   40.598  1.7342 40.518  2.4444 -0.000000      0.000000  
1 1 1 0  15 25 o 26.570  1.0787 260.468   20.928  288.879   26.919   217.055   33.275   27.944  1.3210 24.042  1.9163 -0.000000      0.000000  
1 1 1 0  15 26 o 15.621  0.8466 90.327    9.6280  92.377    13.607   88.272    13.626   15.722  1.1967 15.354  1.2289 0.000000       0.000000  
1 1 1 0  15 27 o 20.443  0.8481 154.192   12.658  174.737   19.380   138.904   16.717   21.697  1.2276 19.330  1.1903 0.000000       0.000000  
1 1 1 0  15 28 o 18.397  0.8558 125.079   11.482  142.138   17.381   111.868   15.295   19.541  1.2245 17.310  1.2194 0.000000       0.000000  
1 1 1 0  15 29 o 22.768  0.8668 191.213   14.418  189.428   20.173   193.077   20.615   22.587  1.2268 22.802  1.2419 -0.000000      0.000000  
1 1 1 0  16 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  16 1  o 65.998  2.6092 1605.95   125.770 1699.81   187.692  1529.45   169.437  67.688  3.8108 64.213  3.6265 0.000000       0.000000  
1 1 1 0  16 2  o 77.168  3.0438 2196.62   171.553 2135.81   236.027  2264.73   249.781  75.843  4.2770 78.092  4.3958 -0.000000      0.000000  
1 1 1 0  16 3  o 9.6878  0.8346 35.160    5.8253  29.095    8.5003   40.531    7.9990   8.5441  1.4941 10.349  1.0816 0.000000       0.000000  
1 1 1 0  16 4  o 26.289  1.1409 254.784   21.890  252.259   30.906   257.326   31.009   26.077  1.6316 26.342  1.6201 0.000000       0.000000  
1 1 1 0  16 5  o 48.572  2.7932 874.666   98.690  874.666   98.690   0.0000    0.0000   48.572  2.7932 48.572  2.7932 0.000000       0.000000  
1 1 1 0  16 6  o 60.581  2.4149 1353.18   106.842 1387.97   154.744  1321.48   147.697  61.163  3.4775 59.682  3.4016 0.000000       0.000000  
1 1 1 0  16 7  f 39.960  1.6440 588.522   47.966  576.121   66.649   601.846   69.086   39.420  2.3253 40.293  2.3577 0.000000       0.000000  
1 1 1 0  16 8  o 22.940  0.8568 193.696   14.361  181.014   16.457   234.191   29.407   22.152  1.0185 25.117  1.6126 0.000000       0.000000  
1 1 1 0  16 9  o 249.059 6.9458 23052.86  1265.74 22806.56  1773.60  23308.50  1806.92  245.987 9.8732 248.637 9.9512 -0.000000      0.000000  
1 1 1 0  16 10 o 36.159  1.0577 480.529   27.979  499.026   40.837   464.165   38.410   36.796  1.5200 35.486  1.4826 -0.000000      0.000000  
1 1 1 0  16 11 o 84.659  2.3541 2636.45   145.821 2616.54   204.724  2656.96   207.753  84.180  3.3298 84.827  3.3534 -0.000000      0.000000  
1 1 1 0  16 12 o 72.523  2.8802 1941.01   152.553 0.0000    0.0000   1941.01   152.553  72.523  2.8802 72.523  2.8802 -0.000000      0.000000  
1 1 1 0  16 13 o 89.891  2.5050 2973.69   164.755 2861.53   224.175  3105.43   242.953  87.999  3.4880 91.660  3.6292 -0.000000      0.000000  
1 1 1 0  16 14 o 5.5505  1.3550 13.123    4.7756  10.567    6.4993   16.123    7.0405   4.4994  1.9277 5.9230  1.8493 -0.000000      0.000000  
1 1 1 0  16 15 o 69.137  1.9420 1758.31   98.234  1749.47   138.079  1767.38   139.783  68.833  2.7468 69.183  2.7667 -0.000000      0.000000  
1 1 1 0  16 16 o 61.144  1.7273 1375.19   77.269  1354.11   107.664  1397.57   110.962  60.561  2.4344 61.523  2.4697 -0.000000      0.000000  
1 1 1 0  16 17 o 39.223  1.1611 565.668   33.313  580.047   48.253   552.573   46.047   39.651  1.6670 38.702  1.6298 0.000000       0.000000  
1 1 1 0  16 18 o 13.938  0.8021 71.926    8.1324  70.516    10.370   74.178    13.107   13.749  1.0428 14.042  1.2990 -0.000000      0.000000  
1 1 1 0  16 19 o 17.086  0.8956 107.939   11.146  111.682   13.237   98.819    20.661   17.355  1.0494 16.103  1.8091 -0.000000      0.000000  
1 1 1 0  16 20 o 52.763  1.5243 1025.23   58.837  1002.77   82.005   1049.06   84.467   52.052  2.1579 53.242  2.1727 0.000000       0.000000  
1 1 1 0  16 21 o 23.139  0.8279 197.129   14.000  191.722   19.456   202.934   20.159   22.764  1.1732 23.424  1.1810 -0.000000      0.000000  
1 1 1 0  16 22 o 4.6461  1.6948 10.564    5.3167  8.9579    6.9132   12.888    8.3183   4.0666  1.9769 4.9289  2.1836 0.000000       0.000000  
1 1 1 0  16 23 o 6.6507  1.3738 18.173    5.9119  8.8850    8.0532   29.029    8.7061   4.0626  2.1009 8.4956  1.5511 0.000000       0.000000  
1 1 1 0  16 24 o 36.994  2.2790 511.486   61.256  0.0000    0.0000   511.486   61.256   36.994  2.2790 36.994  2.2790 -0.000000      0.000000  
1 1 1 0  16 25 o 40.369  1.4257 601.696   42.067  596.329   73.325   604.328   51.359   39.869  2.5326 40.384  1.7425 0.000000       0.000000  
1 1 1 0  16 26 o 5.9463  1.7194 15.880    6.5016  21.145    9.2380   10.712    9.1518   6.7561  2.1242 4.4393  2.2522 -0.000000      0.000000  
1 1 1 0  16 27 o 17.614  0.8386 114.684   10.771  114.100   14.996   115.306   15.479   17.494  1.1819 17.579  1.2147 -0.000000      0.000000  
1 1 1 0  16 28 o 28.671  0.9751 303.175   20.438  313.414   29.573   293.814   28.278   29.058  1.3959 28.132  1.3789 -0.000000      0.000000  
1 1 1 0  17 1  o 142.064 5.6043 7487.59   581.504 7753.70   850.488  7253.98   796.869  143.625 8.1388 138.987 7.8802 -0.000000      0.000000  
1 1 1 0  17 2  o 52.880  2.1039 1030.75   81.250  1069.70   119.059  996.797   111.157  53.708  3.0468 51.848  2.9467 0.000000       0.000000  
1 1 1 0  17 3  o 13.595  0.7922 68.431    7.8322  69.807    10.751   66.874    11.434   13.671  1.0888 13.349  1.1903 -0.000000      0.000000  
1 1 1 0  17 4  o 87.281  3.4475 2813.17   219.768 2955.88   325.774  2693.97   297.716  89.109  5.0244 85.090  4.8087 0.000000       0.000000  
1 1 1 0  17 5  o 9.5332  1.7037 36.351    10.772  0.0000    0.0000   36.351    10.772   9.5332  1.7037 9.5332  1.7037 -0.000000      0.000000  
1 1 1 0  17 6  o 67.821  2.6954 1696.79   133.509 1772.53   196.642  1632.03   181.844  69.081  3.9123 66.293  3.7703 -0.000000      0.000000  
1 1 1 0  17 7  o 72.271  2.8740 1927.35   151.692 1816.60   202.401  2069.28   229.127  69.925  3.9786 74.615  4.2205 0.000000       0.000000  
1 1 1 0  17 8  o 185.131 7.3482 12800.33  993.534 12546.01  1377.38  13076.19  1434.50  181.555 10.429 185.243 10.646 0.000000       0.000000  
1 1 1 0  17 9  o 35.883  1.2136 473.691   31.836  485.557   39.657   452.183   53.391   36.296  1.4964 34.916  2.1037 0.000000       0.000000  
1 1 1 0  17 10 o 20.007  0.6892 147.241   10.080  142.562   14.066   152.180   14.452   19.647  0.9824 20.305  0.9762 0.000000       0.000000  
1 1 1 0  17 11 o 74.371  2.0751 2034.46   112.915 2091.14   163.943  1983.31   155.744  75.258  2.9827 73.296  2.9094 0.000000       0.000000  
1 1 1 0  17 12 o 89.259  2.8765 2936.83   187.745 2725.60   301.530  3070.57   239.927  85.504  4.8469 91.127  3.6049 -0.000000      0.000000  
1 1 1 0  17 13 o 20.739  0.8724 158.501   13.208  159.719   15.874   155.761   23.810   20.793  1.0477 20.417  1.6142 -0.000000      0.000000  
1 1 1 0  17 14 o 33.628  1.0161 415.751   24.992  431.155   36.330   401.913   34.435   34.192  1.4556 33.010  1.4293 -0.000000      0.000000  
1 1 1 0  17 15 o 39.733  1.1642 580.431   33.839  576.730   47.509   584.243   48.210   39.541  1.6457 39.797  1.6593 -0.000000      0.000000  
1 1 1 0  17 16 o 15.887  0.6883 93.040    7.9802  90.466    11.257   95.640    11.314   15.613  0.9929 16.063  0.9691 -0.000000      0.000000  
1 1 1 0  17 17 o 49.643  1.4254 906.727   51.770  933.197   75.234   882.921   71.348   50.262  2.0500 48.892  1.9986 0.000000       0.000000  
1 1 1 0  17 18 o 104.893 4.1910 4114.70   321.049 4058.97   448.098  4173.48   460.207  103.116 5.9747 104.519 6.0538 -0.000000      0.000000  
1 1 1 0  17 19 o 23.323  0.9564 200.554   16.286  206.854   20.359   189.356   27.141   23.652  1.1811 22.514  1.6657 0.000000       0.000000  
1 1 1 0  17 20 o 13.803  0.7581 70.499    7.6164  68.999    10.534   72.142    11.025   13.586  1.0732 13.891  1.0987 -0.000000      0.000000  
1 1 1 0  17 21 o 17.637  0.9042 115.029   11.618  100.310   13.214   165.173   24.389   16.418  1.1097 21.008  1.6054 0.000000       0.000000  
1 1 1 0  17 22 o 26.541  0.8937 259.358   17.340  261.615   24.803   257.201   24.252   26.592  1.2793 26.368  1.2614 0.000000       0.000000  
1 1 1 0  17 23 o 13.302  0.8126 65.642    7.8550  71.053    11.211   60.424    11.010   13.772  1.1280 12.654  1.2126 0.000000       0.000000  
1 1 1 0  17 24 o 34.014  1.2356 426.927   30.713  417.382   51.514   432.191   38.257   33.405  2.1236 34.162  1.5349 -0.000000      0.000000  
1 1 1 0  17 25 f 33.549  1.2482 415.632   30.598  393.611   50.576   428.344   38.428   32.397  2.1517 33.992  1.5497 -0.000000      0.000000  
1 1 1 0  17 26 f 33.045  1.0514 402.637   25.406  417.182   37.016   389.682   34.934   33.531  1.5131 32.410  1.4775 0.000000       0.000000  
1 1 1 0  17 27 o 1.7064  1.2035 -7.1053   6.0005  -12.0207  8.0485   -0.9542   9.0035   1.8493  1.3204 2.7706  1.8091 0.000000       0.000000  
1 1 1 0  18 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  18 1  o 149.575 5.9147 8317.18   646.139 0.0000    0.0000   8317.18   646.139  149.575 5.9147 149.575 5.9147 0.000000       0.000000  
1 1 1 0  18 2  o 165.811 6.5596 10243.91  794.380 10172.64  1116.06  10317.10  1130.93  163.843 9.3635 164.978 9.4229 -0.000000      0.000000  
1 1 1 0  18 3  o 75.814  2.9969 2121.63   165.943 2040.27   225.794  2217.18   244.702  74.080  4.1891 77.212  4.3556 -0.000000      0.000000  
1 1 1 0  18 4  o 22.885  1.0338 193.158   17.259  189.790   24.410   196.526   24.407   22.604  1.4881 23.012  1.4605 0.000000       0.000000  
1 1 1 0  18 5  o 47.556  2.7398 838.808   94.776  0.0000    0.0000   838.808   94.776   47.556  2.7398 47.556  2.7398 -0.000000      0.000000  
1 1 1 0  18 6  o 164.457 6.5180 10081.91  782.881 10377.83  1138.21  9816.22   1078.52  165.341 9.4630 160.910 9.2137 0.000000       0.000000  
1 1 1 0  18 7  o 95.613  3.7786 3380.44   263.866 3339.73   368.694  3423.19   377.799  94.605  5.3563 95.770  5.4218 -0.000000      0.000000  
1 1 1 0  18 8  o 161.438 6.4051 9720.58   755.192 9386.87   1031.44  10106.18  1108.75  157.283 9.0148 163.046 9.3480 -0.000000      0.000000  
1 1 1 0  18 9  o 126.828 5.0206 5972.45   465.053 5772.17   635.862  6202.79   681.919  123.885 7.0550 128.350 7.3027 0.000000       0.000000  
1 1 1 0  18 10 o 11.158  0.6975 46.164    5.6531  27.745    10.535   53.611    6.6991   8.0009  2.0789 12.021  0.7675 -0.000000      0.000000  
1 1 1 0  18 11 o 32.074  1.0905 378.497   25.569  355.204   41.059   393.253   32.679   30.953  1.8243 32.660  1.3706 0.000000       0.000000  
1 1 1 0  18 12 o 12.886  0.6306 61.299    5.9238  63.046    8.7246   59.805    8.0688   13.016  0.9253 12.682  0.8777 -0.000000      0.000000  
1 1 1 0  18 13 o 58.193  1.9033 1247.29   80.984  1259.48   141.963  1241.41   98.601   58.173  3.3550 57.983  2.3286 -0.000000      0.000000  
1 1 1 0  18 14 o 59.291  1.6747 1293.48   72.649  1279.51   101.697  1308.04   103.820  58.852  2.3662 59.503  2.3892 0.000000       0.000000  
1 1 1 0  18 15 o 11.457  0.7321 48.711    6.0902  49.948    8.8611   47.604    8.3842   11.523  1.0704 11.252  1.0368 -0.000000      0.000000  
1 1 1 0  18 16 o 18.204  0.7187 122.063   9.5552  138.869   14.860   110.216   12.477   19.372  1.0537 17.250  0.9944 0.000000       0.000000  
1 1 1 0  18 17 o 67.263  2.7169 1678.55   133.449 1769.64   198.387  1603.28   180.350  68.607  3.9757 65.347  3.7947 0.000000       0.000000  
1 1 1 0  18 18 o 9.2831  0.9137 32.522    6.0788  29.578    7.4957   38.177    10.390   8.7207  1.2465 9.8457  1.5560 0.000000       0.000000  
1 1 1 0  18 19 o 39.156  1.3563 565.359   38.819  577.006   68.623   559.878   47.075   39.305  2.4025 38.906  1.6576 -0.000000      0.000000  
1 1 1 0  18 20 o 37.953  1.1427 530.437   31.722  519.630   43.893   542.255   45.898   37.475  1.6047 38.278  1.6428 -0.000000      0.000000  
1 1 1 0  18 21 o 2.3946  1.4778 1.5587    5.0881  -2.5139   6.8731   6.4972    7.5685   2.2486  1.5047 3.5773  1.9769 0.000000       0.000000  
1 1 1 0  18 22 o 32.392  1.0179 386.415   24.112  425.204   36.986   357.741   31.799   33.894  1.4954 31.093  1.4018 0.000000       0.000000  
1 1 1 0  18 23 o 33.448  1.0515 412.137   25.720  384.518   34.550   446.468   38.520   32.221  1.4699 34.723  1.5201 0.000000       0.000000  
1 1 1 0  18 24 o 23.087  0.8522 196.458   14.376  204.518   20.909   189.233   19.797   23.488  1.2221 22.590  1.2034 0.000000       0.000000  
1 1 1 0  18 25 o 11.944  1.0364 53.611    8.9161  82.097    18.013   44.366    10.261   14.602  1.7494 10.724  1.3659 -0.000000      0.000000  
1 1 1 0  18 26 o 3.5213  1.8469 6.6659    6.2907  3.7024    8.6547   9.9853    9.1596   3.2437  1.9663 4.2893  2.2344 0.000000       0.000000  
1 1 1 0  18 27 o 40.262  1.2313 598.845   36.259  623.729   52.873   576.752   49.820   40.921  1.7703 39.354  1.7348 -0.000000      0.000000  
1 1 1 0  19 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  19 2  o 15.641  0.7764 90.333    8.8511  101.414   13.954   82.873    11.449   16.509  1.1666 14.923  1.0589 0.000000       0.000000  
1 1 1 0  19 3  o 42.570  1.7159 668.010   53.341  672.913   76.087   663.271   74.800   42.597  2.4556 42.293  2.4314 0.000000       0.000000  
1 1 1 0  19 4  o 88.819  3.5074 2916.70   227.527 2893.09   319.182  2941.10   324.425  88.064  4.9814 88.785  5.0221 -0.000000      0.000000  
1 1 1 0  19 5  o 110.516 6.2713 4580.78   504.260 4580.78   504.260  0.0000    0.0000   110.516 6.2713 110.516 6.2713 0.000000       0.000000  
1 1 1 0  19 6  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  19 7  o 24.823  1.1315 227.335   20.489  248.877   31.430   211.415   27.019   25.885  1.6726 23.856  1.5606 0.000000       0.000000  
1 1 1 0  19 8  o 66.871  2.6636 1651.16   130.082 1652.35   183.926  1649.96   184.001  66.640  3.7937 66.590  3.7982 -0.000000      0.000000  
1 1 1 0  19 9  o 40.786  1.6928 613.525   50.407  675.358   77.269   567.714   66.508   42.656  2.4909 39.105  2.3395 -0.000000      0.000000  
1 1 1 0  19 10 o 58.024  2.3330 1243.01   98.859  1248.35   140.274  1237.75   139.345  57.930  3.3288 57.683  3.3210 -0.000000      0.000000  
1 1 1 0  19 11 o 49.752  2.0066 913.501   72.903  863.823   98.800   972.878   108.016  48.203  2.8185 51.164  2.9017 -0.000000      0.000000  
1 1 1 0  19 12 o 89.837  2.5011 2975.73   164.398 2975.38   232.422  2976.07   232.566  89.557  3.5535 89.567  3.5553 -0.000000      0.000000  
1 1 1 0  19 13 o 30.275  1.3529 338.322   29.885  328.367   41.739   348.795   42.809   29.708  1.9357 30.632  1.9241 0.000000       0.000000  
1 1 1 0  19 14 o 6.8559  1.3481 19.115    6.0276  14.956    6.7245   36.115    13.596   5.6643  1.8326 9.1318  2.3501 -0.000000      0.000000  
1 1 1 0  19 15 o 14.551  0.6925 78.157    7.3479  66.939    9.8789   92.047    10.993   13.393  1.0200 15.754  0.9602 -0.000000      0.000000  
1 1 1 0  19 16 o 25.676  0.8475 242.596   15.910  249.961   22.859   235.677   22.158   26.011  1.2049 25.252  1.2034 -0.000000      0.000000  
1 1 1 0  19 17 o 8.5349  0.8752 27.556    5.3431  27.820    7.6769   27.308    7.4412   8.3959  1.3528 8.3282  1.3178 0.000000       0.000000  
1 1 1 0  19 18 f 24.898  0.8364 228.205   15.225  234.433   21.965   222.445   21.122   25.179  1.1964 24.525  1.1813 -0.000000      0.000000  
1 1 1 0  19 19 o 28.176  0.9101 292.277   18.751  285.948   26.068   299.064   26.993   27.805  1.2854 28.436  1.3013 -0.000000      0.000000  
1 1 1 0  19 20 o 29.227  1.0952 315.080   23.387  347.462   45.129   303.191   27.345   30.472  2.0416 28.628  1.3094 0.000000       0.000000  
1 1 1 0  19 21 o 3.0941  1.6414 5.0765    5.0106  8.4954    7.2196   1.8993    6.9597   3.9585  2.0022 2.7655  1.7162 -0.000000      0.000000  
1 1 1 0  19 22 o 27.490  0.9116 278.366   18.323  294.507   27.064   264.708   24.896   28.203  1.3157 26.737  1.2770 0.000000       0.000000  
1 1 1 0  19 23 o 7.6900  1.2501 23.391    6.4874  18.995    8.8639   28.462    9.5204   6.3080  2.1402 8.2678  1.7919 -0.000000      0.000000  
1 1 1 0  19 24 o 21.661  0.8408 173.102   13.304  156.208   17.714   194.960   20.150   20.499  1.1881 22.919  1.2071 0.000000       0.000000  
1 1 1 0  19 25 o 26.701  0.9230 263.010   18.016  274.390   26.401   253.093   24.646   27.180  1.3325 26.107  1.2953 0.000000       0.000000  
1 1 1 0  19 26 o 42.198  1.4820 660.266   45.710  668.841   81.237   656.293   55.294   41.932  2.6680 41.952  1.8059 0.000000       0.000000  
1 1 1 0  20 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  20 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  20 2  o 20.384  0.8946 153.202   13.307  0.0000    0.0000   153.202   13.307   20.384  0.8946 20.384  0.8946 0.000000       0.000000  
1 1 1 0  20 3  o 14.582  0.7993 78.646    8.4842  68.080    11.773   90.063    12.238   13.463  1.2158 15.560  1.0851 0.000000       0.000000  
1 1 1 0  20 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  20 5  o 9.8939  1.6676 38.829    11.061  38.829    11.061   0.0000    0.0000   9.8939  1.6676 9.8939  1.6676 0.000000       0.000000  
1 1 1 0  20 6  o 32.165  1.3614 381.512   31.965  383.287   45.687   379.811   44.739   32.134  1.9564 31.993  1.9238 0.000000       0.000000  
1 1 1 0  20 7  o 86.985  3.4520 2802.66   219.298 2689.80   297.905  2936.15   324.004  84.770  4.8305 88.526  5.0306 0.000000       0.000000  
1 1 1 0  20 8  o 63.543  2.5384 1492.07   117.794 1506.83   168.343  1477.90   164.882  63.582  3.6396 62.974  3.5990 0.000000       0.000000  
1 1 1 0  20 9  o 40.297  1.6705 599.159   49.148  586.312   67.927   613.273   71.200   39.726  2.3518 40.624  2.4106 -0.000000      0.000000  
1 1 1 0  20 10 o 58.257  2.3441 1254.31   99.727  1230.26   138.308  1280.36   143.930  57.451  3.3096 58.601  3.3766 -0.000000      0.000000  
1 1 1 0  20 11 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  20 12 o 66.488  1.8642 1628.80   90.685  1661.35   106.491  1542.89   172.989  67.087  2.1708 64.190  3.7051 0.000000       0.000000  
1 1 1 0  20 13 o 21.018  0.7130 162.539   10.955  155.366   15.048   170.626   15.979   20.505  1.0068 21.494  1.0195 0.000000       0.000000  
1 1 1 0  20 14 o 37.169  1.2751 509.086   34.645  530.580   43.760   472.989   56.709   37.894  1.5818 35.624  2.1908 0.000000       0.000000  
1 1 1 0  20 15 f 29.313  0.9095 316.181   19.498  295.297   26.050   342.787   29.402   28.270  1.2629 30.460  1.3226 0.000000       0.000000  
1 1 1 0  20 16 o 8.5693  0.8345 27.698    5.1276  29.615    7.8053   26.243    6.8009   8.6969  1.3129 8.1991  1.2088 -0.000000      0.000000  
1 1 1 0  20 17 o 16.461  0.8119 100.149   9.7411  110.582   15.928   93.916    12.312   17.205  1.2794 15.885  1.0685 0.000000       0.000000  
1 1 1 0  20 18 o 47.273  1.3730 823.995   47.481  875.803   70.913   781.893   63.926   48.578  1.9993 45.913  1.9071 0.000000       0.000000  
1 1 1 0  20 19 o 35.939  1.0839 475.789   28.494  486.259   41.112   466.110   39.526   36.237  1.5544 35.481  1.5263 0.000000       0.000000  
1 1 1 0  20 20 o 30.336  1.1170 339.545   24.760  322.308   41.169   349.314   30.993   29.349  1.9330 30.716  1.3830 -0.000000      0.000000  
1 1 1 0  20 21 o 21.905  0.8095 176.837   12.956  160.708   17.084   198.670   19.876   20.818  1.1271 23.155  1.1781 -0.000000      0.000000  
1 1 1 0  20 22 o 4.1286  1.7405 8.8879    5.3125  8.0952    7.8502   9.5576    7.2160   3.8885  2.0567 4.1908  2.0222 -0.000000      0.000000  
1 1 1 0  20 23 o 47.668  1.9818 848.051   68.970  809.293   93.190   894.993   102.558  46.157  2.7776 48.482  2.9101 0.000000       0.000000  
1 1 1 0  20 24 o 6.4940  1.4906 17.788    6.1784  9.7806    8.5344   26.607    8.9561   4.2306  2.1685 7.9725  1.7512 -0.000000      0.000000  
1 1 1 0  20 25 o 2.2274  1.4599 -0.8594   5.9454  3.5434    8.2716   -5.5651   8.5514   3.1687  1.9216 2.3106  1.5830 0.000000       0.000000  
1 1 1 0  21 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  21 2  o 16.510  0.7577 100.555   9.1254  0.0000    0.0000   100.555   9.1254   16.510  0.7577 16.510  0.7577 0.000000       0.000000  
1 1 1 0  21 3  o 21.749  0.9626 174.470   15.277  173.165   21.099   175.908   22.149   21.601  1.3445 21.762  1.4020 -0.000000      0.000000  
1 1 1 0  21 4  o 18.300  0.8945 123.663   11.932  122.424   17.401   124.763   16.393   18.123  1.3263 18.319  1.2337 0.000000       0.000000  
1 1 1 0  21 5  o 29.866  1.8310 331.254   39.737  331.254   39.737   0.0000    0.0000   29.866  1.8310 29.866  1.8310 0.000000       0.000000  
1 1 1 0  21 6  o 71.348  2.8401 1884.64   147.990 1819.45   202.042  1960.10   217.376  69.752  3.9816 72.370  4.1288 -0.000000      0.000000  
1 1 1 0  21 7  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  21 8  o 90.676  3.6106 3058.21   239.104 2961.49   327.559  3168.54   349.828  88.580  5.0834 91.565  5.2520 -0.000000      0.000000  
1 1 1 0  21 9  o 55.709  2.2470 1147.91   91.411  1193.90   134.329  1108.24   124.751  56.536  3.2666 54.488  3.1477 0.000000       0.000000  
1 1 1 0  21 10 o 2.7329  1.6884 1.9826    6.6602  10.470    11.326   -2.5043   8.2345   4.4915  2.4405 2.5070  1.6680 0.000000       0.000000  
1 1 1 0  21 11 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  21 12 o 20.740  0.8224 158.515   12.457  140.513   20.726   168.694   15.585   19.387  1.4784 21.371  1.0000 -0.000000      0.000000  
1 1 1 0  21 13 o 12.321  0.5683 56.019    5.1076  54.340    5.5116   66.231    13.591   12.125  0.6239 13.190  1.4505 0.000000       0.000000  
1 1 1 0  21 14 o 2.2797  1.2582 2.6272    3.0614  -4.4786   5.0779   6.6849    3.8372   1.6870  1.1714 3.6102  1.4737 -0.000000      0.000000  
1 1 1 0  21 15 f 7.4752  0.9549 21.492    4.9986  24.481    5.6567   10.842    10.677   7.9801  1.0113 4.5084  2.3948 0.000000       0.000000  
1 1 1 0  21 16 o 35.327  1.0588 459.628   27.360  470.791   39.481   449.313   37.951   35.664  1.5166 34.842  1.4923 0.000000       0.000000  
1 1 1 0  21 17 o 68.410  2.7543 1751.00   137.599 1703.55   189.326  1804.12   200.329  66.788  3.8979 68.668  4.0116 0.000000       0.000000  
1 1 1 0  21 18 o 26.286  0.8654 254.469   16.632  252.557   23.569   256.365   23.475   26.119  1.2375 26.320  1.2229 0.000000       0.000000  
1 1 1 0  21 19 o 15.373  0.7419 87.327    8.3148  91.056    11.986   83.868    11.544   15.636  1.0570 14.996  1.0625 -0.000000      0.000000  
1 1 1 0  21 20 o 10.180  0.8611 38.859    6.3191  28.809    8.3730   52.157    9.6316   8.4852  1.4815 11.746  1.1436 -0.000000      0.000000  
1 1 1 0  21 21 o 21.097  0.9500 164.563   14.622  169.170   17.487   153.853   26.660   21.355  1.1243 20.138  1.8416 -0.000000      0.000000  
1 1 1 0  21 22 o 35.124  1.0853 455.409   27.881  437.121   38.280   476.071   40.689   34.285  1.5302 35.780  1.5582 0.000000       0.000000  
1 1 1 0  21 23 o 26.973  0.9246 268.520   18.231  263.112   25.115   274.544   26.507   26.608  1.2947 27.171  1.3384 -0.000000      0.000000  
1 1 1 0  21 24 o 25.879  0.9029 247.191   17.079  245.070   24.274   249.272   24.036   25.670  1.2977 25.898  1.2732 0.000000       0.000000  
1 1 1 0  22 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  22 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  22 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  22 3  o 21.581  0.9430 171.796   14.852  171.796   14.852   0.0000    0.0000   21.581  0.9430 21.581  0.9430 -0.000000      0.000000  
1 1 1 0  22 4  o 27.500  1.6549 280.813   33.080  0.0000    0.0000   280.813   33.080   27.500  1.6549 27.500  1.6549 0.000000       0.000000  
1 1 1 0  22 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  22 6  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  22 7  o 39.648  2.3555 585.652   67.897  0.0000    0.0000   585.652   67.897   39.648  2.3555 39.648  2.3555 -0.000000      0.000000  
1 1 1 0  22 8  o 20.631  1.0495 157.402   15.776  177.819   23.370   140.308   21.384   21.851  1.4746 19.361  1.5288 -0.000000      0.000000  
1 1 1 0  22 9  o 33.809  1.4440 422.381   35.635  425.707   50.229   419.011   50.565   33.804  2.0444 33.526  2.0760 -0.000000      0.000000  
1 1 1 0  22 10 o 8.9828  1.2310 31.257    7.6729  31.105    9.5158   31.539    12.973   8.7703  1.6513 8.3625  2.4377 -0.000000      0.000000  
1 1 1 0  22 11 o 19.798  1.6153 147.116   23.082  0.0000    0.0000   147.116   23.082   19.798  1.6153 19.798  1.6153 -0.000000      0.000000  
1 1 1 0  22 12 o 39.889  1.6781 589.154   48.867  586.619   69.267   591.665   68.950   39.588  2.4075 39.768  2.3851 0.000000       0.000000  
1 1 1 0  22 13 o 14.693  1.0961 80.622    11.653  90.339    16.000   69.643    17.007   15.472  1.4395 13.384  1.8308 -0.000000      0.000000  
1 1 1 0  22 14 o 48.506  1.3849 867.970   49.145  890.948   101.847  860.996   56.110   48.624  2.8809 48.260  1.5902 -0.000000      0.000000  
1 1 1 0  22 15 o 61.100  1.7293 1380.67   77.303  1374.16   108.744  1387.33   109.911  60.676  2.4543 60.961  2.4690 -0.000000      0.000000  
1 1 1 0  22 16 o 30.016  1.0913 332.446   23.937  349.960   45.286   325.655   28.198   30.549  2.0435 29.664  1.3026 0.000000       0.000000  
1 1 1 0  22 17 o 42.718  1.4475 674.640   45.203  659.652   54.744   706.755   80.137   42.144  1.7794 43.341  2.5427 0.000000       0.000000  
1 1 1 0  22 18 o 26.690  0.8681 262.442   16.943  264.227   24.236   260.737   23.694   26.708  1.2442 26.535  1.2242 0.000000       0.000000  
1 1 1 0  22 19 o 14.017  0.7454 72.735    7.6082  83.479    11.353   63.975    10.251   14.959  1.0472 13.055  1.0887 -0.000000      0.000000  
1 1 1 0  22 20 o 19.010  0.7902 133.425   10.967  131.508   15.458   135.367   15.561   18.798  1.1313 19.077  1.1217 -0.000000      0.000000  
1 1 1 0  22 21 o 17.323  0.9293 111.321   11.722  113.492   14.479   107.190   19.971   17.439  1.1441 16.767  1.6625 0.000000       0.000000  
1 1 1 0  22 22 o 18.041  0.8071 120.355   10.623  124.103   14.912   116.493   15.138   18.246  1.1249 17.655  1.1819 -0.000000      0.000000  
1 1 1 0  22 23 o 38.443  1.1754 546.577   33.050  575.151   48.725   522.228   44.980   39.245  1.7012 37.408  1.6478 -0.000000      0.000000  
1 1 1 0  23 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  23 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  23 3  o 6.1902  0.6880 14.565    3.0230  0.0000    0.0000   14.565    3.0230   6.1902  0.6880 6.1902  0.6880 0.000000       0.000000  
1 1 1 0  23 4  o 52.897  2.1165 1036.85   81.760  1020.37   114.030  1054.29   117.292  52.181  3.0042 53.036  3.0402 0.000000       0.000000  
1 1 1 0  23 5  o 37.204  2.1772 516.003   58.906  516.003   58.906   0.0000    0.0000   37.204  2.1772 37.204  2.1772 -0.000000      0.000000  
1 1 1 0  23 6  o 18.847  0.9484 131.351   13.025  136.381   18.090   125.935   18.771   19.133  1.3038 18.347  1.4152 -0.000000      0.000000  
1 1 1 0  23 7  o 18.169  0.9602 122.187   12.706  119.565   17.002   125.504   19.122   17.894  1.3126 18.304  1.4461 -0.000000      0.000000  
1 1 1 0  23 8  o 25.537  1.1629 241.074   21.664  246.867   31.773   236.043   29.616   25.719  1.7026 25.164  1.6212 0.000000       0.000000  
1 1 1 0  23 9  o 16.041  0.9734 95.509    11.348  91.359    14.542   101.970   18.148   15.606  1.2917 16.433  1.5377 -0.000000      0.000000  
1 1 1 0  23 10 o 2.3390  1.5194 -0.4398   6.2357  2.5749    7.3881   -7.9063   11.627   2.9242  1.7933 2.6782  1.8377 -0.000000      0.000000  
1 1 1 0  23 11 o 29.909  1.9457 334.776   42.239  334.776   42.239   0.0000    0.0000   29.909  1.9457 29.909  1.9457 0.000000       0.000000  
1 1 1 0  23 12 o 15.424  1.0524 88.622    11.771  90.957    15.572   85.510    17.979   15.535  1.3934 14.946  1.6978 -0.000000      0.000000  
1 1 1 0  23 13 o 5.4664  2.0954 14.998    7.9325  26.395    14.164   9.7896    9.5750   7.2045  2.8098 4.2772  2.2690 0.000000       0.000000  
1 1 1 0  23 14 o 45.524  1.9022 770.611   63.220  742.753   85.968   803.418   93.293   44.379  2.6649 46.116  2.7833 -0.000000      0.000000  
1 1 1 0  23 15 o 39.111  1.1416 564.057   32.663  572.868   67.509   561.365   37.323   39.022  2.3806 38.980  1.3097 -0.000000      0.000000  
1 1 1 0  23 16 o 20.852  0.7268 160.165   11.078  183.437   26.192   155.095   12.225   22.110  1.6369 20.504  0.8164 -0.000000      0.000000  
1 1 1 0  23 17 o 36.391  1.5596 491.776   41.425  471.826   54.540   518.978   63.686   35.444  2.1167 37.083  2.3651 -0.000000      0.000000  
1 1 1 0  23 18 o 12.798  0.7021 60.670    6.5401  64.167    9.0423   56.834    9.4709   13.108  0.9527 12.291  1.0700 0.000000       0.000000  
1 1 1 0  23 19 o 7.3951  0.9697 21.125    5.0057  16.470    7.4905   24.882    6.7287   5.8942  1.9502 7.9394  1.2485 -0.000000      0.000000  
1 1 1 0  23 20 o 1.7847  1.2142 -2.7124   4.8434  -12.2842  7.6967   3.5633    6.2321   1.7694  1.2680 2.9000  1.7116 -0.000000      0.000000  
1 1 1 0  23 21 o 20.580  0.7963 156.411   11.971  154.576   16.817   158.296   17.045   20.378  1.1340 20.623  1.1355 -0.000000      0.000000  
1 1 1 0  24 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  24 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  24 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  24 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  24 4  o 82.150  3.3039 2541.30   198.205 0.0000    0.0000   2541.30   198.205  82.150  3.3039 82.150  3.3039 0.000000       0.000000  
1 1 1 0  24 5  o 70.687  4.1203 1915.27   211.817 0.0000    0.0000   1915.27   211.817  70.687  4.1203 70.687  4.1203 0.000000       0.000000  
1 1 1 0  24 6  o 19.238  0.9521 136.904   13.351  131.398   17.560   144.446   20.553   18.769  1.2904 19.651  1.4450 -0.000000      0.000000  
1 1 1 0  24 7  o 22.297  1.0606 183.913   17.243  205.586   25.560   165.811   23.359   23.481  1.4992 21.047  1.5328 -0.000000      0.000000  
1 1 1 0  24 8  o 52.765  2.1442 1037.16   82.614  1029.54   115.785  1045.07   117.912  52.136  3.0539 52.513  3.0879 -0.000000      0.000000  
1 1 1 0  24 9  o 26.220  1.1977 254.453   22.908  247.494   32.525   261.304   32.271   25.713  1.7442 26.449  1.6802 0.000000       0.000000  
1 1 1 0  24 10 o 61.268  2.4907 1405.14   111.430 1379.67   155.162  1432.27   160.128  60.059  3.5532 61.170  3.6000 0.000000       0.000000  
1 1 1 0  24 11 o 19.190  1.6436 138.884   22.728  138.884   22.728   0.0000    0.0000   19.190  1.6436 19.190  1.6436 0.000000       0.000000  
1 1 1 0  24 12 o 31.397  1.3932 365.403   31.917  365.969   45.916   364.874   44.398   31.225  2.0258 31.202  1.9591 0.000000       0.000000  
1 1 1 0  24 13 o 8.1649  1.5480 27.052    8.2946  31.298    10.189   18.705    14.284   8.6990  1.8125 5.8242  2.8399 -0.000000      0.000000  
1 1 1 0  24 14 o 13.863  1.1280 72.092    11.287  61.978    17.452   79.365    14.799   12.441  2.0913 14.464  1.4278 0.000000       0.000000  
1 1 1 0  24 15 o 27.896  1.3204 288.822   26.861  299.538   38.015   278.138   37.958   28.244  1.8547 27.176  1.9279 -0.000000      0.000000  
1 1 1 0  24 16 o 26.236  0.8298 253.673   15.920  252.067   17.999   259.448   34.125   26.131  0.9425 26.268  1.7915 0.000000       0.000000  
1 1 1 0  24 17 o 32.639  0.9938 393.231   23.725  406.939   50.205   389.290   26.921   32.803  2.1081 32.439  1.1354 -0.000000      0.000000  
1 1 1 0  24 18 o 2.5031  1.5626 1.4304    5.8567  -2.5936   6.2461   30.720    16.851   2.1058  1.4168 7.6436  3.0830 -0.000000      0.000000  
1 1 1 0  24 19 o 6.9322  1.0087 18.782    4.8089  13.676    7.1628   22.973    6.4887   5.2044  1.9902 7.5897  1.2744 -0.000000      0.000000  
1 1 1 0  24 20 o 3.9187  1.6412 8.0224    4.7287  11.400    7.7369   6.0083    5.9745   4.5758  2.1042 3.3483  1.7873 -0.000000      0.000000  
1 1 1 0  25 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  25 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  25 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  25 4  o 1.8848  1.0896 1.6059    2.4405  1.6059    2.4405   0.0000    0.0000   1.8848  1.0896 1.8848  1.0896 -0.000000      0.000000  
1 1 1 0  25 5  o 15.834  0.8202 92.795    9.4605  84.015    13.373   101.590   13.385   14.957  1.2394 16.508  1.1180 0.000000       0.000000  
1 1 1 0  25 6  o 21.996  1.4889 180.857   23.752  180.857   23.752   0.0000    0.0000   21.996  1.4889 21.996  1.4889 0.000000       0.000000  
1 1 1 0  25 7  o 6.0272  1.5110 15.642    5.7738  22.587    10.781   12.848    6.8371   6.8296  2.3816 5.0527  1.9475 0.000000       0.000000  
1 1 1 0  25 8  o 14.003  0.9309 72.997    9.4572  65.874    14.337   78.484    12.583   13.095  1.5511 14.454  1.2071 0.000000       0.000000  
1 1 1 0  25 9  o 14.924  0.9642 82.875    10.445  83.867    13.527   81.409    16.440   14.935  1.2561 14.599  1.5837 -0.000000      0.000000  
1 1 1 0  25 10 o 11.794  1.0326 52.311    8.7687  46.591    10.523   65.309    15.862   11.000  1.3611 12.944  1.7648 -0.000000      0.000000  
1 1 1 0  25 11 f 4.4382  2.5607 9.3234    13.438  9.3234    13.438   0.0000    0.0000   4.4382  2.5607 4.4382  2.5607 0.000000       0.000000  
1 1 1 0  25 12 o 5.1523  2.0180 13.481    7.2936  16.042    13.789   12.487    8.5942   5.3901  2.7578 4.7987  2.2172 0.000000       0.000000  
1 1 1 0  25 13 o 39.481  1.6818 580.591   48.468  595.006   69.392   566.860   67.727   39.640  2.4087 38.681  2.4103 -0.000000      0.000000  
1 1 1 0  25 14 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  25 15 o 17.350  1.1335 112.414   14.274  109.027   22.015   114.871   18.748   16.823  1.8415 17.424  1.4933 0.000000       0.000000  
1 1 1 0  25 16 o 5.8765  2.4456 18.217    10.512  18.217    10.512   0.0000    0.0000   5.8765  2.4456 5.8765  2.4456 -0.000000      0.000000  
1 1 1 0  25 17 o 11.614  0.5681 49.876    4.8091  39.386    12.858   51.582    5.1855   9.6900  2.0593 11.805  0.6029 -0.000000      0.000000  
1 1 1 0  25 18 o 5.9021  0.7778 13.459    3.2026  13.552    3.3474   12.454    11.006   5.9074  0.8178 4.7324  2.4536 0.000000       0.000000  
1 1 1 0  26 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  26 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  26 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  26 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  26 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  26 5  o 5.0127  1.0767 10.414    3.4726  10.414    3.4726   0.0000    0.0000   5.0127  1.0767 5.0127  1.0767 -0.000000      0.000000  
1 1 1 0  26 6  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  26 7  o 22.113  1.0295 181.059   16.604  186.734   24.785   176.438   22.364   22.323  1.5314 21.725  1.4183 0.000000       0.000000  
1 1 1 0  26 8  o 2.7861  1.6262 3.4351    5.5170  1.0407    6.4091   10.285    10.840   2.5504  1.6101 4.4011  2.3888 -0.000000      0.000000  
1 1 1 0  26 9  o 10.170  1.0487 39.261    7.6273  51.549    13.914   33.983    9.1195   11.396  1.8002 9.2775  1.4457 0.000000       0.000000  
1 1 1 0  26 10 o 1.8889  1.3001 -4.3092   5.9257  -1.4274   6.7931   -13.4811  12.119   2.3317  1.5392 2.4525  1.7258 -0.000000      0.000000  
1 1 1 0  26 11 o 12.833  1.8413 64.789    16.284  0.0000    0.0000   64.789    16.284   12.833  1.8413 12.833  1.8413 -0.000000      0.000000  
1 1 1 0  26 12 o 21.922  1.1344 178.667   18.116  195.045   25.689   162.466   25.550   22.776  1.5555 20.698  1.7111 -0.000000      0.000000  
1 1 1 0  26 13 o 2.4170  1.5860 -1.0184   7.0465  -6.9477   14.156   0.9346    8.1245   3.0771  2.0884 2.8133  1.7911 0.000000       0.000000  
1 1 1 0  26 14 o 2.1728  1.4942 -5.4404   7.7874  -25.1768  14.041   3.3275    9.3587   2.2880  1.6505 3.2665  2.0104 0.000000       0.000000  
1 1 1 0  26 15 o 8.1738  1.7173 27.853    9.0598  35.377    16.397   24.547    10.870   8.4561  2.9320 7.1778  2.3348 0.000000       0.000000  
1 1 1 0  26 16 o 40.730  2.5679 641.598   75.962  0.0000    0.0000   641.598   75.962   40.730  2.5679 40.730  2.5679 0.000000       0.000000  
1 1 1 0  27 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  27 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  27 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  27 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  27 5  o 39.761  1.6164 589.148   46.930  0.0000    0.0000   589.148   46.930   39.761  1.6164 39.761  1.6164 0.000000       0.000000  
1 1 1 0  27 6  o 1.7767  1.1415 0.0813    3.3937  0.0813    3.3937   0.0000    0.0000   1.7767  1.1415 1.7767  1.1415 -0.000000      0.000000  
1 1 1 0  27 7  o 13.969  0.8664 72.592    8.7924  67.011    13.578   76.622    11.538   13.228  1.4441 14.287  1.1175 0.000000       0.000000  
1 1 1 0  27 8  o 11.152  0.9421 46.755    7.5743  43.987    12.652   48.301    9.4563   10.441  1.8183 11.262  1.1749 0.000000       0.000000  
1 1 1 0  27 9  o 16.083  0.9986 96.420    11.668  120.088   16.859   74.658    16.165   17.877  1.3025 13.889  1.6493 -0.000000      0.000000  
1 1 1 0  27 10 o 25.576  1.2090 243.460   22.549  218.549   30.420   273.845   33.595   24.013  1.7497 26.935  1.7177 0.000000       0.000000  
1 1 1 0  27 11 o 5.9850  2.8182 20.093    13.928  20.093    13.928   0.0000    0.0000   5.9850  2.8182 5.9850  2.8182 0.000000       0.000000  
1 1 1 0  27 12 o 4.0432  2.0110 9.0553    7.2208  18.997    14.574   5.8207    8.3129   5.7777  2.8597 3.4882  2.0134 0.000000       0.000000  
1 1 1 0  27 13 o 4.1666  2.0474 9.6357    7.4481  28.220    15.664   4.2066    8.4664   7.2526  2.9805 3.2625  1.9611 0.000000       0.000000  
1 1 1 0  27 14 f 19.816  1.1168 146.573   16.103  142.768   20.994   152.011   25.097   19.413  1.4959 19.927  1.7493 -0.000000      0.000000  
1 1 1 0  28 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  28 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  28 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  28 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  28 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  28 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  28 6  o 32.934  1.3666 404.705   32.859  0.0000    0.0000   404.705   32.859   32.934  1.3666 32.934  1.3666 0.000000       0.000000  
1 1 1 0  28 7  o 6.9600  2.2205 22.920    9.9800  22.920    9.9800   0.0000    0.0000   6.9600  2.2205 6.9600  2.2205 0.000000       0.000000  
1 1 1 0  28 8  f 2.2597  1.4081 1.2325    4.7344  2.3318    10.793   0.9706    5.2682   3.3259  2.0954 2.3210  1.4630 0.000000       0.000000  
1 1 1 0  28 9  o 27.405  1.2301 280.136   24.596  266.239   32.536   298.669   37.573   26.504  1.6906 28.002  1.8492 -0.000000      0.000000  
1 1 1 0  28 10 o 2.5014  1.5874 0.9113    6.3200  13.983    13.219   -2.9621   7.1957   4.9819  2.6588 2.2506  1.5162 0.000000       0.000000  
1 1 1 0  28 11 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  29 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  29 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  29 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  29 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  29 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 0  29 6  o 2.6100  1.1832 3.6585    2.4426  0.0000    0.0000   3.6585    2.4426   2.6100  1.1832 2.6100  1.1832 0.000000       0.000000  
1 1 1 0  29 7  o 4.8761  1.2585 10.369    3.8875  10.369    3.8875   0.0000    0.0000   4.8761  1.2585 4.8761  1.2585 -0.000000      0.000000  
1 1 1 0  29 8  o 2.6606  1.5199 3.4419    4.6634  -6.9382   9.8560   6.4361    5.2934   2.4236  1.6703 3.4118  1.7169 0.000000       0.000000  
1 1 1 1  0  1  o 6.4786  0.3741 15.535    1.7630  18.066    3.1657   14.397    2.1226   6.9352  0.6350 6.2145  0.4723 0.000000       0.000000  
1 1 1 1  0  2  o 247.623 9.7053 22642.51  1755.34 22642.51  1755.34  0.0000    0.0000   247.623 9.7053 247.623 9.7053 -0.000000      0.000000  
1 1 1 1  0  3  o 58.765  1.6387 1268.63   70.458  1228.21   96.576   1314.62   103.020  57.750  2.2897 59.748  2.3608 0.000000       0.000000  
1 1 1 1  0  4  o 89.742  2.5012 2958.96   164.231 2769.26   216.333  3217.00   252.310  86.710  3.4159 93.453  3.6967 -0.000000      0.000000  
1 1 1 1  0  5  o 160.484 4.4288 9466.84   520.049 9074.51   705.063  9934.97   770.161  156.891 6.1528 164.152 6.4234 -0.000000      0.000000  
1 1 1 1  0  6  o 92.732  2.9938 3162.54   203.002 2769.36   306.780  3468.82   270.758  86.473  4.8757 97.032  3.8205 -0.000000      0.000000  
1 1 1 1  0  7  o 153.958 4.2570 8716.19   479.552 8644.79   672.460  8790.07   684.068  153.066 6.0150 154.344 6.0682 0.000000       0.000000  
1 1 1 1  0  8  o 212.630 8.4629 16718.31  1314.20 14753.10  1624.73  20437.48  2235.11  198.961 11.223 233.869 13.134 0.000000       0.000000  
1 1 1 1  0  9  o 109.774 3.0549 4428.18   245.367 4757.12   372.779  4176.73   325.925  113.619 4.4923 106.470 4.1912 -0.000000      0.000000  
1 1 1 1  0  10 o 310.222 8.5719 35425.33  1945.71 35803.21  2774.85  35059.82  2729.02  311.175 12.209 307.930 12.134 -0.000000      0.000000  
1 1 1 1  0  11 o 35.988  1.0611 475.894   27.935  561.534   45.507   424.107   35.387   39.045  1.5962 33.927  1.4288 0.000000       0.000000  
1 1 1 1  0  12 o 88.727  2.8891 2894.96   187.440 3638.89   400.050  2685.70   212.170  99.141  5.5450 85.389  3.4023 0.000000       0.000000  
1 1 1 1  0  13 o 158.025 5.0915 9187.76   588.344 8682.12   680.327  10687.59  1171.71  153.469 6.0696 169.742 9.4855 -0.000000      0.000000  
1 1 1 1  0  14 o 191.967 5.3519 13551.69  751.713 14311.76  1110.36  12908.56  1021.38  196.937 7.7192 187.030 7.4778 0.000000       0.000000  
1 1 1 1  0  15 o 15.639  0.9681 90.664    11.000  84.295    15.003   98.065    16.175   14.974  1.3949 16.181  1.3873 -0.000000      0.000000  
1 1 1 1  0  16 o 101.465 3.2903 3787.83   244.114 4712.79   517.959  3523.71   276.782  112.712 6.3150 97.773  3.8761 -0.000000      0.000000  
1 1 1 1  0  17 o 25.132  0.8324 232.249   15.295  225.148   21.091   240.125   22.214   24.702  1.1709 25.512  1.1939 0.000000       0.000000  
1 1 1 1  0  18 o 60.454  1.7189 1343.11   76.028  1357.40   108.978  1329.56   106.118  60.688  2.4591 60.065  2.4193 0.000000       0.000000  
1 1 1 1  0  19 o 276.763 8.9760 28479.35  1816.50 28677.94  2247.48  28105.22  3084.77  276.672 11.124 271.006 15.649 -0.000000      0.000000  
1 1 1 1  0  20 o 20.276  0.7672 151.319   11.365  129.797   14.555   184.931   18.190   18.727  1.0684 22.379  1.1153 0.000000       0.000000  
1 1 1 1  0  21 o 119.803 4.7549 5303.57   416.037 0.0000    0.0000   5303.57   416.037  119.803 4.7549 119.803 4.7549 0.000000       0.000000  
1 1 1 1  0  22 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  0  23 o 87.995  2.8894 2851.65   185.900 2996.40   239.903  2634.09   294.103  90.081  3.6471 84.178  4.8025 -0.000000      0.000000  
1 1 1 1  0  24 o 16.451  0.7745 99.855    9.2914  88.684    12.284   114.793   14.204   15.437  1.0984 17.591  1.1119 0.000000       0.000000  
1 1 1 1  0  25 o 22.162  0.8241 180.793   13.346  167.240   18.055   197.114   19.814   21.262  1.1666 23.097  1.1774 0.000000       0.000000  
1 1 1 1  0  26 o 53.321  1.7842 1046.97   69.554  1023.40   83.428   1100.69   125.953  52.654  2.1701 54.401  3.1838 0.000000       0.000000  
1 1 1 1  0  27 o 42.210  1.2712 655.398   39.248  572.615   48.698   808.841   66.300   39.383  1.6942 46.803  1.9403 0.000000       0.000000  
1 1 1 1  0  28 f 19.107  1.1946 135.503   16.580  160.920   25.908   117.874   21.577   20.716  1.7342 17.673  1.7019 0.000000       0.000000  
1 1 1 1  0  29 o 137.342 4.4798 7062.11   449.872 6878.44   759.183  7161.51   558.489  132.645 7.8721 137.526 5.5611 0.000000       0.000000  
1 1 1 1  0  30 o 21.151  0.9858 165.175   15.207  156.215   17.977   187.716   28.514   20.526  1.2044 22.392  1.7625 0.000000       0.000000  
1 1 1 1  0  31 o 11.133  0.8940 46.340    7.1871  60.147    11.173   36.595    9.3868   12.622  1.2348 9.6898  1.4084 0.000000       0.000000  
1 1 1 1  0  32 o 28.197  0.9584 292.791   19.756  262.673   25.700   336.297   30.888   26.639  1.3237 30.151  1.4047 -0.000000      0.000000  
1 1 1 1  0  33 o 27.957  1.4115 289.649   28.755  250.760   36.637   352.030   46.402   25.850  1.9596 30.663  2.0868 0.000000       0.000000  
1 1 1 1  1  0  o 180.176 4.9737 11933.89  655.701 11776.54  916.985  12098.51  937.973  178.706 7.0254 181.133 7.0897 -0.000000      0.000000  
1 1 1 1  1  1  o 118.631 2.3230 5159.35   201.992 5130.33   283.414  5189.31   287.959  118.276 3.2692 118.953 3.3027 -0.6771469     4.647122  
1 1 1 1  1  2  o 86.698  1.7026 2755.20   108.196 2924.44   161.025  2615.89   146.087  89.312  2.4598 84.471  2.3595 4.841515       3.408511  
1 1 1 1  1  3  o 210.852 4.1139 16310.87  635.787 15841.30  875.456  16834.92  924.853  207.687 5.7510 214.090 5.8938 -6.403015      8.234731  
1 1 1 1  1  4  o 110.219 2.1683 4453.40   175.168 4696.21   259.019  4248.76   237.791  113.165 3.1227 107.642 3.0139 5.523819       4.339979  
1 1 1 1  1  5  o 299.472 5.8854 32950.77  1291.85 32863.68  1808.52  33041.50  1845.95  298.708 8.2603 299.488 8.4093 -0.7798462     11.78765  
1 1 1 1  1  6  o 150.084 3.1472 8262.72   346.206 7810.81   434.209  9051.41   573.614  145.876 4.0610 156.973 4.9856 -11.09639      6.430210  
1 1 1 1  1  7  o 91.806  2.1015 3090.51   141.411 3305.57   215.802  2928.68   187.203  94.916  3.1019 89.350  2.8585 5.566788       4.218187  
1 1 1 1  1  8  o 50.976  1.4400 952.540   53.802  1014.58   80.253   901.893   72.511   52.603  2.0815 49.597  1.9947 3.006172       2.882924  
1 1 1 1  1  9  o 496.862 9.7751 91181.74  3559.92 93399.96  5180.05  89196.48  4900.54  500.765 14.113 489.617 13.655 11.14740       19.63792  
1 1 1 1  1  10 o 266.594 5.5955 26093.50  1093.39 24971.81  1594.06  27090.11  1502.56  260.515 8.3482 271.438 7.5523 -10.92273      11.25741  
1 1 1 1  1  11 o 234.582 4.9370 20192.89  848.866 20183.19  1279.26  20200.53  1134.66  234.334 7.4481 234.508 6.6013 -0.1739807     9.952406  
1 1 1 1  1  12 o 321.632 6.3070 37997.02  1486.84 37267.06  2064.47  38783.71  2143.17  318.179 8.8523 324.564 9.0090 -6.384186      12.63031  
1 1 1 1  1  13 o 206.365 5.7463 15640.26  869.174 15541.31  1707.36  15674.87  1009.82  204.763 11.422 206.518 6.6712 -1.754715      13.22719  
1 1 1 1  1  14 o 240.945 4.7274 21313.29  834.875 22840.76  1255.82  20103.53  1117.61  249.186 6.8758 233.822 6.5212 15.36388       9.476409  
1 1 1 1  1  15 o 212.030 8.3872 16601.17  1303.46 14727.55  1621.44  20023.87  2191.51  198.826 11.171 231.306 12.979 -32.47945      17.12457  
1 1 1 1  1  16 f 50.440  1.2996 932.616   48.047  877.751   71.334   978.175   65.004   48.925  1.9892 51.652  1.7170 -2.726860      2.627751  
1 1 1 1  1  17 o 38.099  0.8018 532.024   22.390  597.023   35.026   487.112   29.115   40.356  1.1841 36.453  1.0897 3.902740       1.609209  
1 1 1 1  1  18 o 59.588  1.3786 1301.89   60.209  1495.20   118.430  1234.51   69.920   63.824  2.5316 58.020  1.6441 5.803696       3.018675  
1 1 1 1  1  19 o 155.307 3.0651 8863.30   348.909 8874.63   495.431  8852.16   491.458  155.195 4.3554 155.004 4.3258 0.1909790      6.138506  
1 1 1 1  1  20 o 25.648  0.6054 241.107   11.380  266.846   17.496   222.228   14.984   26.981  0.8847 24.622  0.8302 2.358400       1.213259  
1 1 1 1  1  21 o 121.605 3.0542 5435.46   272.227 5886.20   374.702  4931.61   396.167  126.406 4.0443 115.602 4.6755 10.80345       6.181961  
1 1 1 1  1  22 o 94.780  2.6460 3300.46   183.815 3194.58   251.105  3422.70   269.808  93.139  3.6783 96.388  3.8190 -3.249863      5.302309  
1 1 1 1  1  23 o 45.832  1.0914 770.207   36.664  774.938   64.371   767.935   44.607   45.950  1.9113 45.759  1.3300 0.1904411      2.328475  
1 1 1 1  1  24 o 138.801 3.1544 7097.61   320.915 7456.73   476.501  6799.51   434.136  141.859 4.5827 135.530 4.3703 6.328476       6.332526  
1 1 1 1  1  25 o 75.402  1.6173 2087.31   89.383  2018.22   131.164  2147.21   122.132  74.063  2.4162 76.421  2.1804 -2.358032      3.254552  
1 1 1 1  1  26 o 6.5579  0.8515 16.037    3.9963  10.600    5.4523   22.348    5.8746   5.2790  1.3900 7.7324  1.0648 -2.453438      1.750949  
1 1 1 1  1  27 o 34.736  0.8860 442.646   22.558  443.659   27.418   440.522   39.689   34.767  1.0759 34.615  1.5643 0.1521492      1.898603  
1 1 1 1  1  28 o 53.131  2.1828 1042.45   85.006  1019.25   117.513  1067.92   123.115  52.252  3.0820 53.466  3.1556 -1.213707      4.410940  
1 1 1 1  1  29 f 28.231  0.6710 292.320   13.885  334.188   21.594   262.809   18.130   30.171  0.9765 26.758  0.9244 3.412910       1.344641  
1 1 1 1  1  30 f 66.363  1.5500 1621.99   75.396  1688.06   95.799   1514.47   122.211  67.608  1.9332 63.836  2.6120 3.772259       3.249583  
1 1 1 1  1  31 o 32.192  0.7870 380.358   18.570  358.990   23.478   416.071   30.352   31.259  1.0247 33.634  1.2312 -2.374950      1.601832  
1 1 1 1  1  32 o 28.953  0.7369 307.710   15.638  317.709   21.247   295.891   23.100   29.400  0.9860 28.361  1.1112 1.038755       1.485621  
1 1 1 1  1  33 o 45.443  1.5764 763.726   52.507  920.128   106.486  713.483   60.354   49.236  2.9645 43.839  1.8783 5.396744       3.509482  
1 1 1 1  2  0  o 228.922 6.3574 19274.90  1064.85 19485.60  1532.07  19077.99  1481.07  229.736 9.1313 227.348 8.9192 0.000000       0.000000  
1 1 1 1  2  1  o 91.589  1.7938 3074.91   120.423 3162.67   174.910  2995.82   166.045  92.877  2.5694 90.395  2.5061 2.482079       3.589175  
1 1 1 1  2  2  o 356.107 6.9956 46620.98  1825.95 44958.78  2500.10  48521.25  2673.15  349.180 9.7685 362.684 10.056 -13.50433      14.01932  
1 1 1 1  2  3  o 437.218 9.1938 70436.67  2946.29 73503.84  4053.53  67001.40  4289.87  445.647 12.410 424.997 13.771 20.65002       18.53785  
1 1 1 1  2  4  o 471.078 9.9725 81874.78  3443.33 82409.52  5269.44  81476.30  4548.84  470.498 15.280 468.736 13.240 1.761871       20.21836  
1 1 1 1  2  5  o 77.169  1.5237 2182.82   86.186  2268.57   126.898  2109.40   117.424  78.662  2.2009 75.854  2.1120 2.808655       3.050362  
1 1 1 1  2  6  o 114.915 2.2532 4842.08   189.779 5123.81   283.172  4612.36   255.700  118.176 3.2692 112.129 3.1112 6.047279       4.513032  
1 1 1 1  2  7  o 211.506 5.8898 16467.36  913.073 13989.45  1542.66  17803.53  1132.81  193.611 10.915 219.713 7.0343 -26.10155      12.98554  
1 1 1 1  2  8  o 38.225  0.9019 535.520   25.269  577.216   38.255   503.247   33.656   39.683  1.3152 37.053  1.2392 2.629383       1.807081  
1 1 1 1  2  9  o 184.166 3.6291 12442.32  489.878 12197.59  679.613  12707.01  706.767  182.259 5.0874 186.019 5.1837 -3.760025      7.263049  
1 1 1 1  2  10 o 162.465 3.6911 9680.59   439.537 9870.57   636.966  9507.90   607.295  163.986 5.2994 160.952 5.1478 3.033722       7.388102  
1 1 1 1  2  11 o 154.220 3.2457 8721.16   366.879 8506.81   472.217  9047.57   582.728  152.283 4.2307 157.016 5.0634 -4.733200      6.598226  
1 1 1 1  2  12 o 185.549 3.8932 12628.44  529.482 13089.64  721.381  12089.78  779.605  188.841 5.2118 181.447 5.8620 7.393478       7.843815  
1 1 1 1  2  13 o 140.590 3.2015 7248.57   329.901 8251.13   525.102  6594.80   424.035  149.935 4.7781 134.063 4.3153 15.87248       6.438362  
1 1 1 1  2  14 o 108.383 2.2884 4306.86   181.793 4680.27   301.090  4092.63   228.055  112.947 3.6370 105.638 2.9454 7.308578       4.680037  
1 1 1 1  2  15 o 188.291 4.7077 13025.71  649.711 11212.95  875.786  15244.50  968.916  174.454 6.8491 203.466 6.4970 -29.01248      9.440432  
1 1 1 1  2  16 o 243.914 5.5314 21906.69  988.893 22210.72  1421.81  21621.80  1376.31  244.996 7.9178 241.770 7.7666 3.225952       11.09105  
1 1 1 1  2  17 o 218.393 4.9787 17569.54  796.961 17766.95  991.638  17209.44  1339.30  219.317 6.1688 215.094 8.4951 4.223083       10.49861  
1 1 1 1  2  18 o 118.130 2.4945 5122.09   215.981 5049.05   280.417  5228.60   338.640  117.219 3.2638 119.220 3.8753 -2.000786      5.066617  
1 1 1 1  2  19 o 142.977 3.0126 7511.39   315.707 8291.00   457.039  6799.90   436.615  150.037 4.1560 135.839 4.3852 14.19817       6.041723  
1 1 1 1  2  20 o 35.641  0.9683 465.660   25.295  545.366   37.143   396.722   34.542   38.566  1.3140 32.891  1.4328 5.674606       1.944093  
1 1 1 1  2  21 o 73.236  1.5614 1967.16   83.817  2087.00   135.771  1893.36   106.543  75.390  2.4570 71.830  2.0237 3.560272       3.183116  
1 1 1 1  2  22 o 74.235  2.4155 2023.94   131.428 1825.00   205.385  2161.90   171.030  70.249  4.0055 76.675  3.0432 -6.426521      5.030410  
1 1 1 1  2  23 o 92.412  2.1253 3135.64   143.952 2921.24   234.952  3264.48   182.143  89.039  3.6001 94.243  2.6368 -5.203934      4.462485  
1 1 1 1  2  24 o 31.317  0.8116 359.550   18.630  355.392   26.120   363.854   26.579   31.130  1.1448 31.498  1.1513 -0.3682957     1.623576  
1 1 1 1  2  25 o 85.620  1.8226 2692.83   114.378 2690.95   151.919  2695.29   173.789  85.515  2.4238 85.530  2.7722 -0.1529694E-01 3.682347  
1 1 1 1  2  26 o 41.686  0.8843 637.317   27.018  742.837   43.624   571.656   34.413   44.984  1.3231 39.468  1.1896 5.515579       1.779245  
1 1 1 1  2  27 o 24.252  0.6106 215.651   10.854  209.928   14.972   221.989   15.757   23.922  0.8539 24.599  0.8739 -0.6770077     1.221821  
1 1 1 1  2  28 o 35.795  0.9039 470.188   23.714  483.689   34.214   457.705   32.898   36.280  1.2866 35.293  1.2718 0.9868240      1.809095  
1 1 1 1  2  29 o 63.535  1.8146 1488.49   84.504  1432.16   115.376  1553.68   124.116  62.141  2.5331 64.698  2.6173 -2.556782      3.642384  
1 1 1 1  2  30 o 4.9946  1.1454 9.5344    4.1038  8.8066    5.7464   10.292    5.8628   4.8791  1.4788 5.2186  1.4700 -0.3395176     2.085103  
1 1 1 1  2  31 o 26.938  0.7064 266.267   13.948  294.596   19.650   237.503   19.800   28.322  0.9466 25.422  1.0626 2.899195       1.423105  
1 1 1 1  2  32 o 31.309  0.7706 359.908   17.685  376.056   27.972   349.155   22.825   31.963  1.1940 30.817  1.0105 1.145134       1.564191  
1 1 1 1  2  33 o 36.803  1.3450 499.750   36.282  514.383   46.100   475.936   58.812   37.266  1.6877 35.630  2.2638 1.636810       2.823653  
1 1 1 1  3  0  o 354.518 9.8429 46311.21  2553.19 50886.76  3953.75  43038.31  3343.90  370.496 14.611 340.911 13.430 0.000000       0.000000  
1 1 1 1  3  1  o 102.863 2.0180 3878.68   152.143 3678.74   205.358  4121.96   226.521  100.164 2.7972 106.025 2.9149 -5.860207      4.039879  
1 1 1 1  3  2  o 460.624 10.448 78307.73  3527.36 80885.23  5123.83  75985.72  4863.26  466.414 14.988 452.202 14.673 14.21188       20.97451  
1 1 1 1  3  3  o 222.971 4.3428 18243.25  709.738 17378.08  956.752  19301.94  1058.36  217.493 6.0017 229.188 6.3003 -11.69450      8.701382  
1 1 1 1  3  4  o 166.604 3.2757 10180.65  400.014 10029.07  553.123  10346.86  579.186  165.295 4.5654 167.885 4.7068 -2.589996      6.557231  
1 1 1 1  3  5  o 112.347 2.2118 4627.80   182.136 4437.85   247.347  4852.79   269.197  109.994 3.0680 115.017 3.1932 -5.022980      4.428237  
1 1 1 1  3  6  o 317.232 6.2083 37054.36  1443.55 36709.14  2024.19  37411.63  2059.22  315.020 8.7666 317.997 8.8348 -2.976929      12.44621  
1 1 1 1  3  7  o 120.913 2.9916 5363.88   265.129 5331.21   341.120  5413.73   421.364  120.499 3.8623 121.371 4.7365 -0.8723373     6.111611  
1 1 1 1  3  8  o 151.861 3.4444 8461.37   383.385 8111.48   516.717  8889.89   571.841  148.611 4.7437 155.559 5.0153 -6.947327      6.903381  
1 1 1 1  3  9  o 182.737 3.6014 12248.36  482.367 11731.04  654.597  12863.05  713.549  178.765 4.9959 187.178 5.2010 -8.413498      7.211750  
1 1 1 1  3  10 o 302.874 5.9231 33681.84  1314.90 34088.20  1871.60  33285.77  1847.74  304.407 8.3884 300.804 8.3806 3.603119       11.85747  
1 1 1 1  3  11 o 197.832 3.8689 14354.97  561.004 14237.29  786.933  14476.59  799.987  196.940 5.4516 198.585 5.4961 -1.645554      7.741252  
1 1 1 1  3  12 o 242.953 4.7831 21661.82  851.751 20310.32  1139.62  23372.21  1282.04  235.105 6.6133 252.171 6.9362 -17.06664      9.583671  
1 1 1 1  3  13 o 381.522 7.4817 53552.36  2092.18 55879.83  3099.79  51604.95  2835.43  388.885 10.875 373.858 10.347 15.02646       15.01116  
1 1 1 1  3  14 o 198.710 3.9014 14490.37  568.231 15662.84  861.272  13586.65  756.150  206.435 5.6922 192.298 5.3648 14.13724       7.821871  
1 1 1 1  3  15 o 134.898 3.3643 6678.29   332.649 6711.82   525.283  6655.83   429.820  135.098 5.3048 134.608 4.3565 0.4893341      6.864346  
1 1 1 1  3  16 o 58.290  1.3569 1245.60   57.973  1294.67   85.044   1203.00   79.236   59.418  1.9527 57.277  1.8874 2.141037       2.715778  
1 1 1 1  3  17 o 99.837  1.9753 3656.04   144.547 3619.41   202.594  3694.03   206.298  99.294  2.7837 100.311 2.8059 -1.016914      3.952456  
1 1 1 1  3  18 o 94.449  2.0060 3272.68   138.873 3081.07   173.484  3614.49   231.711  91.611  2.5836 99.179  3.1875 -7.568703      4.103060  
1 1 1 1  3  19 o 155.318 3.8589 8879.54   439.301 9271.33   592.238  8400.26   655.029  158.450 5.0995 150.621 5.9333 7.828949       7.823569  
1 1 1 1  3  20 o 65.171  1.3084 1557.37   62.499  1487.78   84.543   1641.22   92.807   63.683  1.8112 66.883  1.8931 -3.200359      2.620029  
1 1 1 1  3  21 o 139.307 3.4565 7140.16   352.934 7076.96   552.373  7183.76   458.798  138.285 5.4497 139.544 4.4857 -1.258514      7.058422  
1 1 1 1  3  22 f 91.459  1.9495 3069.91   130.685 3053.30   197.170  3082.93   174.527  91.127  2.9520 91.602  2.5994 -0.4748611     3.933336  
1 1 1 1  3  23 o 84.845  1.8085 2641.92   112.465 2676.62   150.248  2597.70   169.603  85.354  2.4016 84.053  2.7530 1.300789       3.653302  
1 1 1 1  3  24 o 66.782  1.5539 1636.69   76.062  1625.13   130.109  1642.70   93.752   66.456  2.6711 66.881  1.9125 -0.4246902     3.285193  
1 1 1 1  3  25 o 87.630  2.8521 2830.85   183.190 3336.99   369.346  2665.72   210.967  94.298  5.3660 84.933  3.3889 9.364769       6.346529  
1 1 1 1  3  26 o 34.147  0.9489 427.706   23.749  491.659   59.511   415.592   25.901   36.467  2.2373 33.656  1.0500 2.810619       2.471433  
1 1 1 1  3  27 o 49.207  1.1788 889.071   42.516  874.078   59.351   904.876   60.935   48.744  1.6612 49.593  1.6763 -0.8495750     2.360034  
1 1 1 1  3  28 o 52.761  1.3696 1023.49   52.965  967.153   64.912   1135.72   91.617   51.240  1.7284 55.427  2.2551 -4.186676      2.841299  
1 1 1 1  3  29 o 28.772  0.6757 303.655   14.249  276.688   18.681   341.179   22.036   27.455  0.9283 30.484  0.9862 -3.028957      1.354413  
1 1 1 1  3  30 o 35.457  0.7828 461.349   20.343  437.856   27.399   490.208   30.368   34.522  1.0828 36.523  1.1344 -2.001068      1.568245  
1 1 1 1  3  31 o 28.759  0.6861 303.456   14.463  329.445   21.653   282.520   19.435   29.946  0.9865 27.734  0.9561 2.212584       1.373767  
1 1 1 1  3  32 o 70.184  1.6444 1820.82   84.589  1905.21   124.450  1748.35   115.325  71.459  2.3761 68.494  2.2971 2.965096       3.304922  
1 1 1 1  3  33 o 11.237  0.7240 46.560    5.9315  45.754    8.2868   47.407    8.4938   11.104  1.0299 11.303  1.0368 -0.1994915     1.461363  
1 1 1 1  4  0  o 155.515 4.2982 8889.19   489.086 9021.08   573.286  8536.48   937.480  156.587 5.0066 151.728 8.4906 -0.000000      0.000000  
1 1 1 1  4  1  o 235.226 4.5885 20307.72  791.114 20040.92  1102.90  20590.48  1135.42  233.510 6.4439 236.679 6.5451 -3.169144      9.184892  
1 1 1 1  4  2  o 328.940 6.4190 39773.75  1547.62 43315.70  2745.19  38123.56  1873.77  342.291 10.942 321.786 7.9445 20.50549       13.52190  
1 1 1 1  4  3  o 157.844 3.0738 9137.71   355.622 9506.39   522.507  8819.55   485.391  160.930 4.4297 155.016 4.2720 5.913986       6.154060  
1 1 1 1  4  4  o 168.127 3.2819 10369.85  404.425 10134.84  557.893  10630.12  587.111  166.130 4.5817 170.131 4.7082 -4.001358      6.569533  
1 1 1 1  4  5  o 123.710 2.4067 5612.63   218.228 5585.63   307.240  5640.12   310.020  123.369 3.3977 123.969 3.4119 -0.5994720     4.815153  
1 1 1 1  4  6  o 319.816 6.2882 37677.13  1474.03 37545.77  2065.16  37813.55  2104.60  318.462 8.8474 319.545 8.9858 -1.082977      12.61033  
1 1 1 1  4  7  o 132.798 2.9922 6469.39   291.252 6428.20   408.910  6511.81   414.941  132.310 4.2165 133.165 4.2512 -0.8555450     5.987669  
1 1 1 1  4  8  o 137.482 3.0930 6932.18   311.675 6739.84   428.390  7148.49   454.302  135.512 4.3130 139.554 4.4414 -4.041565      6.190985  
1 1 1 1  4  9  o 198.206 4.4613 14414.25  648.132 14273.79  906.672  14561.04  926.855  197.125 6.2752 199.093 6.3515 -1.968002      8.928567  
1 1 1 1  4  10 o 231.401 4.5449 19645.59  770.856 19813.70  1105.92  19486.74  1075.04  232.254 6.4965 230.340 6.3676 1.913971       9.096761  
1 1 1 1  4  11 o 39.509  0.8118 572.076   23.508  573.050   33.232   571.101   33.259   39.542  1.1466 39.474  1.1495 0.6729507E-01  1.623610  
1 1 1 1  4  12 f 133.256 3.0295 6511.48   295.896 6707.53   430.832  6336.43   407.096  135.205 4.3474 131.416 4.2264 3.789017       6.063198  
1 1 1 1  4  13 o 44.375  0.9735 721.716   31.664  723.458   42.208   719.473   47.887   44.428  1.2962 44.304  1.4747 0.1233406      1.963336  
1 1 1 1  4  14 o 110.459 3.0770 4475.76   249.118 4392.81   283.133  4760.10   524.201  109.415 3.5305 113.567 6.3225 -4.152405      7.241445  
1 1 1 1  4  15 o 44.017  1.0471 710.146   33.782  685.089   40.009   772.387   63.057   43.232  1.2626 45.897  1.8744 -2.665859      2.259991  
1 1 1 1  4  16 o 43.021  1.4584 678.540   45.985  626.065   51.998   866.890   98.513   41.321  1.7169 48.522  2.7816 -7.201305      3.268776  
1 1 1 1  4  17 o 124.965 2.8511 5733.96   261.144 5437.23   349.746  6107.82   392.580  121.585 3.9246 128.837 4.1573 -7.251465      5.717086  
1 1 1 1  4  18 f 162.106 3.4221 9661.81   406.608 9028.77   501.856  10871.36  693.705  156.545 4.3738 171.510 5.5183 -14.96490      7.041431  
1 1 1 1  4  19 o 101.252 1.9928 3761.68   147.894 3645.16   202.634  3894.50   216.348  99.615  2.7753 102.958 2.8669 -3.342621      3.990143  
1 1 1 1  4  20 o 136.535 3.4236 6857.42   342.612 6169.97   486.952  7531.33   482.138  129.209 5.1417 142.872 4.6041 -13.66299      6.901814  
1 1 1 1  4  21 o 83.191  2.3351 2541.03   142.383 2384.45   189.797  2742.57   215.331  80.520  3.2159 86.337  3.4027 -5.817001      4.681964  
1 1 1 1  4  22 o 71.499  1.6577 1875.47   86.876  2070.14   133.895  1733.94   114.170  75.072  2.4334 68.716  2.2668 6.355453       3.325600  
1 1 1 1  4  23 o 37.343  0.9261 511.251   25.349  502.166   35.562   520.633   36.142   37.002  1.3112 37.676  1.3088 -0.6742821     1.852610  
1 1 1 1  4  24 o 31.965  0.7632 374.578   17.880  435.125   30.900   344.100   21.924   34.442  1.2240 30.633  0.9764 3.808649       1.565782  
1 1 1 1  4  25 o 30.502  0.8021 341.139   17.933  347.015   25.886   335.718   24.866   30.756  1.1483 30.252  1.1215 0.5040474      1.605084  
1 1 1 1  4  26 o 47.620  0.9933 831.961   34.668  837.023   48.900   826.845   49.158   47.740  1.3975 47.447  1.4135 0.2923088      1.987723  
1 1 1 1  4  27 o 21.984  0.8139 177.297   13.115  187.390   19.221   168.505   17.939   22.560  1.1664 21.392  1.1483 1.168474       1.636803  
1 1 1 1  4  28 o 47.045  1.1322 812.989   39.041  780.938   46.002   895.505   73.812   46.085  1.3619 49.248  2.0449 -3.162418      2.456857  
1 1 1 1  4  29 o 35.712  0.9968 468.320   26.092  466.652   41.121   469.445   33.758   35.597  1.5761 35.732  1.2889 -0.1352959     2.036014  
1 1 1 1  4  30 o 11.661  0.6207 50.021    5.2865  64.227    7.8938   38.467    7.1187   13.203  0.8197 10.189  0.9646 3.013854       1.265899  
1 1 1 1  4  31 o 26.040  0.7523 248.859   14.358  249.603   20.271   248.110   20.339   26.060  1.0613 25.981  1.0681 0.7854462E-01  1.505656  
1 1 1 1  4  32 o 29.150  1.1320 312.754   24.186  335.444   44.064   302.970   28.935   29.986  2.0166 28.662  1.3773 1.324083       2.442098  
1 1 1 1  4  33 o 15.742  0.5952 90.945    6.8673  91.767    9.8627   90.172    9.5677   15.778  0.8560 15.642  0.8376 0.1360922      1.197618  
1 1 1 1  5  0  o 25.301  0.7494 235.226   13.869  203.149   24.144   251.025   16.944   23.415  1.4187 26.126  0.8872 0.000000       0.000000  
1 1 1 1  5  1  o 10.997  0.3285 44.322    2.6475  47.648    3.9520   41.614    3.5659   11.402  0.4729 10.656  0.4566 0.7463512      0.6573108 
1 1 1 1  5  2  f 224.484 4.3742 18502.17  719.722 18947.42  1200.73  18252.50  899.151  226.809 7.2228 222.845 5.5049 3.964371       9.081427  
1 1 1 1  5  3  o 247.240 4.8127 22458.86  872.146 23155.29  1271.25  21839.61  1198.74  250.707 6.9181 243.517 6.7161 7.190231       9.641850  
1 1 1 1  5  4  o 156.921 3.0547 9034.88   351.341 9309.43   511.404  8789.47   483.510  159.188 4.3830 154.688 4.2645 4.499435       6.115286  
1 1 1 1  5  5  o 188.446 3.6735 13037.48  507.393 12860.88  708.617  13223.28  726.855  187.003 5.1699 189.611 5.2300 -2.608597      7.353968  
1 1 1 1  5  6  o 86.248  1.8106 2727.15   114.462 2934.93   162.354  2521.82   161.397  89.458  2.4761 82.919  2.6556 6.539040       3.630848  
1 1 1 1  5  7  o 178.304 4.0377 11667.82  527.681 12416.02  793.893  11075.66  706.274  183.784 5.8935 173.611 5.5503 10.17363       8.095627  
1 1 1 1  5  8  o 357.854 7.0152 47080.54  1840.05 45076.08  2500.91  49446.20  2716.93  349.635 9.7589 366.106 10.125 -16.47092      14.06237  
1 1 1 1  5  9  o 616.572 15.484 141171.30 6997.73 134421.09 10587.26 146408.00 9325.06  596.017 24.235 624.928 20.358 -28.91095      31.65118  
1 1 1 1  5  10 o 273.478 5.3368 27453.43  1069.77 27759.73  1530.19  27160.61  1496.14  274.773 7.5978 271.802 7.5100 2.971161       10.68303  
1 1 1 1  5  11 o 247.131 6.1471 22434.33  1113.47 22988.55  1277.00  20676.54  2274.22  250.083 6.9667 235.910 13.205 14.17342       14.93051  
1 1 1 1  5  12 o 140.890 2.7625 7278.48   285.273 6871.64   382.221  7790.11   428.628  136.863 3.8102 145.714 4.0133 -8.851791      5.533889  
1 1 1 1  5  13 f 158.447 3.1087 9208.28   361.029 8614.72   479.376  9986.14   548.775  153.199 4.2691 164.926 4.5397 -11.72728      6.231704  
1 1 1 1  5  14 o 97.750  2.2359 3503.76   160.197 3507.52   229.034  3500.16   224.152  97.773  3.1960 97.673  3.1310 0.1002808      4.474102  
1 1 1 1  5  15 o 138.204 2.9100 7009.10   294.779 7989.26   439.744  6209.23   397.250  147.459 4.0686 129.990 4.1694 17.46927       5.825590  
1 1 1 1  5  16 o 257.587 7.1778 24574.98  1355.19 25720.16  1994.45  23592.81  1847.07  262.018 10.385 251.130 10.035 10.88831       14.44113  
1 1 1 1  5  17 f 105.424 2.4204 4079.15   187.030 3879.50   249.490  4335.29   282.593  102.746 3.3129 108.591 3.5505 -5.845741      4.856046  
1 1 1 1  5  18 o 115.438 2.2765 4891.10   192.621 4976.83   276.958  4810.79   268.073  116.353 3.2475 114.401 3.1970 1.951935       4.557116  
1 1 1 1  5  19 o 56.785  1.4408 1182.50   59.969  1216.22   137.095  1174.53   66.687   57.419  3.2710 56.589  1.6078 0.8304710      3.644814  
1 1 1 1  5  20 f 53.437  1.1598 1046.97   45.427  1019.60   68.030   1068.99   61.027   52.719  1.7606 53.987  1.5422 -1.268124      2.340524  
1 1 1 1  5  21 o 156.614 5.0533 9071.79   580.078 10981.47  1203.35  8493.69   662.082  169.997 9.6978 151.269 5.9715 18.72792       11.38887  
1 1 1 1  5  22 o 66.318  1.4282 1613.13   69.423  1664.50   93.511   1550.05   103.624  67.344  1.8944 64.972  2.1760 2.371696       2.885078  
1 1 1 1  5  23 o 32.132  0.8195 378.503   19.302  367.864   26.742   390.073   27.887   31.672  1.1520 32.614  1.1666 -0.9417801     1.639504  
1 1 1 1  5  24 o 70.931  1.4251 1846.28   74.091  1814.59   102.750  1880.60   106.938  70.276  1.9948 71.538  2.0394 -1.262703      2.852804  
1 1 1 1  5  25 o 58.756  1.2825 1266.99   55.233  1391.42   92.472   1197.97   68.868   61.506  2.0512 57.107  1.6453 4.398617       2.629553  
1 1 1 1  5  26 o 72.338  1.6862 1924.23   89.403  1763.46   116.253  2156.95   139.868  69.151  2.2936 76.434  2.4966 -7.283012      3.390232  
1 1 1 1  5  27 o 30.406  0.8875 339.235   19.780  310.936   23.606   405.941   36.243   29.101  1.1067 33.226  1.4882 -4.124968      1.854615  
1 1 1 1  5  28 o 31.359  0.7126 360.741   16.378  412.225   25.697   325.516   21.255   33.504  1.0464 29.777  0.9739 3.727482       1.429468  
1 1 1 1  5  29 o 68.742  1.7600 1742.80   88.679  1858.38   121.856  1612.67   129.297  70.811  2.3478 65.853  2.6787 4.958191       3.562009  
1 1 1 1  5  30 o 41.128  0.9383 621.144   28.287  588.093   35.534   678.321   46.737   39.992  1.2122 42.915  1.4858 -2.922699      1.917605  
1 1 1 1  5  31 o 34.607  0.8252 439.733   20.933  453.707   32.701   430.033   27.247   35.108  1.2708 34.200  1.0869 0.9081421      1.672206  
1 1 1 1  5  32 o 40.727  1.0075 610.044   30.074  609.659   42.552   610.427   42.511   40.641  1.4285 40.667  1.4262 -0.2606201E-01 2.018568  
1 1 1 1  5  33 o 30.597  0.7657 343.901   17.172  353.509   26.631   337.064   22.467   30.972  1.1731 30.264  1.0128 0.7076740      1.549819  
1 1 1 1  6  0  o 266.065 7.3515 26091.37  1431.17 27179.28  2976.92  25764.34  1632.17  269.120 15.203 264.147 8.4498 0.000000       0.000000  
1 1 1 1  6  1  o 231.641 4.5035 19715.48  764.620 19542.84  1072.26  19894.09  1090.65  230.330 6.3514 232.381 6.4033 -2.050888      9.019004  
1 1 1 1  6  2  o 178.148 3.4601 11649.23  451.807 11573.18  733.387  11695.75  573.576  177.335 5.6423 178.419 4.3860 -1.083832      7.146541  
1 1 1 1  6  3  o 85.295  1.6624 2667.25   103.927 2643.98   145.707  2691.34   148.276  84.907  2.3413 85.663  2.3616 -0.7564697     3.325449  
1 1 1 1  6  4  o 218.860 4.2572 17595.41  682.929 17786.95  975.745  17411.48  956.166  219.785 6.0570 217.463 5.9988 2.322311       8.524852  
1 1 1 1  6  5  o 49.690  0.9847 904.979   35.863  907.974   50.840   902.013   50.597   49.770  1.3937 49.606  1.3916 0.1636314      1.969480  
1 1 1 1  6  6  o 334.104 7.5140 41109.03  1840.07 41796.86  2644.77  40463.70  2561.72  336.035 10.738 330.684 10.569 5.351410       15.06684  
1 1 1 1  6  7  o 72.807  1.6701 1943.01   89.123  2141.15   138.165  1801.83   116.631  76.420  2.4667 70.106  2.2697 6.314201       3.352036  
1 1 1 1  6  8  o 504.611 9.9019 93836.95  3662.31 103977.80 5689.99  86664.51  4785.28  529.433 14.663 483.796 13.495 45.63699       19.92757  
1 1 1 1  6  9  o 218.874 5.4233 17585.98  870.039 16155.40  1256.18  18904.95  1206.18  209.561 8.1783 226.785 7.2564 -17.22400      10.93339  
1 1 1 1  6  10 o 130.910 2.5658 6283.04   246.194 5919.00   326.770  6760.97   374.414  127.039 3.5093 135.766 3.7625 -8.727615      5.145108  
1 1 1 1  6  11 o 220.493 5.4427 17852.90  879.612 17820.97  1396.27  17873.91  1132.62  219.960 8.6605 220.479 7.0087 -0.5180511     11.14121  
1 1 1 1  6  12 o 292.522 6.5967 31467.06  1414.38 31754.39  2013.97  31187.44  1986.78  293.345 9.3669 290.724 9.3237 2.621307       13.21626  
1 1 1 1  6  13 o 275.913 5.7601 27994.23  1164.90 28041.50  1547.23  27932.38  1769.96  275.789 7.6542 274.992 8.7814 0.7962341      11.64898  
1 1 1 1  6  14 f 302.198 8.4091 33791.76  1862.60 32007.96  2494.35  36040.12  2800.37  292.841 11.621 310.397 12.309 -17.55551      16.92797  
1 1 1 1  6  15 o 128.067 2.5273 6017.68   237.234 6375.26   358.009  5737.75   316.763  131.729 3.7079 124.990 3.4576 6.739395       5.069916  
1 1 1 1  6  16 o 168.928 3.8206 10494.09  473.062 10019.82  638.693  11070.47  704.100  164.809 5.2873 173.177 5.5471 -8.368362      7.663233  
1 1 1 1  6  17 o 140.871 2.7564 7287.92   284.610 7641.01   421.659  6992.43   385.735  144.079 3.9928 137.854 3.8176 6.224487       5.524189  
1 1 1 1  6  18 o 91.925  1.8185 3099.97   122.524 3042.16   168.895  3164.20   178.013  91.020  2.5316 92.822  2.6165 -1.801521      3.640770  
1 1 1 1  6  19 o 153.451 3.2440 8659.06   364.867 9605.57   610.137  8132.14   455.237  161.199 5.1640 148.541 4.1813 12.65796       6.644521  
1 1 1 1  6  20 o 197.362 3.9010 14349.26  564.308 13523.42  754.986  15394.67  849.443  191.150 5.3887 203.833 5.6856 -12.68317      7.833551  
1 1 1 1  6  21 o 22.364  0.7185 183.324   11.778  191.185   15.682   173.154   17.838   22.836  0.9369 21.702  1.1252 1.134308       1.464215  
1 1 1 1  6  22 o 165.617 3.2478 10098.50  394.251 10099.52  558.528  10097.50  556.587  165.240 4.6116 165.228 4.5959 0.1133728E-01  6.510664  
1 1 1 1  6  23 o 98.876  2.7662 3598.17   200.473 3545.95   278.418  3654.39   288.895  97.956  3.8778 99.424  3.9643 -1.467903      5.545559  
1 1 1 1  6  24 o 73.083  1.5695 1960.84   84.075  2018.52   114.120  1892.37   124.336  74.100  2.1012 71.717  2.3653 2.382629       3.163826  
1 1 1 1  6  25 o 39.916  0.9112 584.377   26.659  597.560   36.159   568.677   39.460   40.351  1.2226 39.356  1.3679 0.9944077      1.834649  
1 1 1 1  6  26 o 27.455  0.6464 276.400   13.007  261.272   17.604   294.584   19.301   26.686  0.9000 28.335  0.9293 -1.649204      1.293725  
1 1 1 1  6  27 o 47.717  1.0636 835.987   37.198  791.339   46.449   915.827   62.114   46.397  1.3659 49.872  1.6992 -3.474564      2.180121  
1 1 1 1  6  28 o 62.649  1.3624 1443.58   62.562  1377.16   90.546   1504.26   86.542   61.059  2.0232 63.856  1.8490 -2.796837      2.740843  
1 1 1 1  6  29 o 20.580  0.6812 155.372   10.275  150.708   14.302   160.348   14.773   20.259  0.9632 20.897  0.9645 -0.6378326     1.363079  
1 1 1 1  6  30 o 30.843  0.7133 349.067   16.126  347.673   22.848   350.451   22.763   30.763  1.0133 30.886  1.0055 -0.1232491     1.427537  
1 1 1 1  6  31 o 21.927  0.5971 176.396   9.5961  172.150   13.244   181.088   13.923   21.651  0.8346 22.205  0.8555 -0.5537853     1.195145  
1 1 1 1  6  32 o 46.986  1.0561 812.472   36.371  775.768   53.117   844.873   49.907   45.794  1.5825 47.833  1.4235 -2.038651      2.128527  
1 1 1 1  6  33 o 24.697  0.6369 223.901   11.529  237.286   16.926   212.317   15.746   25.402  0.9090 24.030  0.8940 1.372313       1.274998  
1 1 1 1  7  0  o 43.879  1.2330 707.359   39.584  699.660   78.202   710.010   45.897   43.475  2.4724 43.943  1.4284 0.000000       0.000000  
1 1 1 1  7  1  o 94.227  1.8352 3255.33   126.748 3373.02   214.172  3191.89   157.239  95.879  3.0476 93.293  2.2995 2.585587       3.817800  
1 1 1 1  7  2  o 104.550 2.0349 4007.94   155.935 4087.33   259.583  3963.11   195.050  105.535 3.3558 103.949 2.5600 1.586006       4.220839  
1 1 1 1  7  3  o 183.507 3.5686 12358.88  479.992 12339.86  783.526  12370.32  607.285  183.147 5.8368 183.513 4.5149 -0.3666382     7.379156  
1 1 1 1  7  4  o 107.258 2.0881 4217.84   164.157 4285.48   235.721  4154.14   228.742  108.091 2.9753 106.424 2.9324 1.667923       4.177488  
1 1 1 1  7  5  o 250.195 5.6152 22997.11  1029.73 23358.95  1478.98  22656.68  1434.57  251.835 8.0124 248.039 7.8908 3.795914       11.24559  
1 1 1 1  7  6  o 159.673 6.2445 9367.02   730.823 10488.63  1149.35  8605.74   946.898  168.445 9.3459 152.650 8.4967 15.79501       12.63086  
1 1 1 1  7  7  f 315.858 7.1308 36670.18  1650.86 38701.68  2461.64  35009.71  2225.52  323.960 10.367 308.213 9.8514 15.74680       14.30124  
1 1 1 1  7  8  o 311.812 6.0814 35708.29  1389.88 37242.61  2041.48  34382.68  1897.57  318.074 8.7566 305.661 8.4699 12.41296       12.18263  
1 1 1 1  7  9  o 106.843 2.4204 4185.05   189.544 4330.46   276.366  4055.90   260.452  108.663 3.4700 105.163 3.3790 3.499161       4.843335  
1 1 1 1  7  10 o 431.679 8.4411 68620.51  2670.79 72985.48  3998.35  65103.80  3588.87  444.012 12.286 419.559 11.670 24.45267       16.94519  
1 1 1 1  7  11 o 124.058 2.4227 5642.85   220.292 5546.82   306.862  5744.96   316.439  122.971 3.4045 125.147 3.4498 -2.175522      4.846839  
1 1 1 1  7  12 o 270.048 5.2731 26797.12  1043.73 25040.52  1378.53  29156.73  1597.72  260.745 7.2131 281.253 7.7504 -20.50806      10.58755  
1 1 1 1  7  13 o 105.181 2.0723 4056.56   159.764 3943.45   220.478  4181.62   231.829  103.677 2.9014 106.759 2.9627 -3.082611      4.146712  
1 1 1 1  7  14 o 131.975 3.0102 6392.66   291.186 7114.84   456.943  5898.87   377.841  139.103 4.4817 126.697 4.0688 12.40637       6.053156  
1 1 1 1  7  15 o 92.884  1.8266 3164.03   124.358 3365.05   186.241  3002.30   167.056  95.750  2.6537 90.449  2.5199 5.301231       3.659501  
1 1 1 1  7  16 o 98.402  1.9455 3552.12   140.321 3745.06   209.046  3393.90   189.306  100.984 2.8243 96.142  2.6864 4.841377       3.897855  
1 1 1 1  7  17 o 74.108  1.6974 2014.45   92.198  1891.67   122.869  2172.67   139.480  71.785  2.3352 76.925  2.4738 -5.139549      3.401890  
1 1 1 1  7  18 o 47.219  0.9703 817.371   33.582  787.657   46.265   850.459   48.821   46.346  1.3619 48.158  1.3831 -1.811745      1.941113  
1 1 1 1  7  19 o 173.062 3.9473 11034.55  500.709 12522.00  970.942  10495.67  584.412  183.223 7.2299 168.590 4.7294 14.63272       8.639395  
1 1 1 1  7  20 o 144.482 2.8518 7672.96   302.005 8235.51   455.749  7232.54   403.252  149.435 4.1609 140.088 3.9273 9.346985       5.721625  
1 1 1 1  7  21 o 133.861 2.6376 6585.65   258.786 6905.07   383.840  6319.47   350.399  136.853 3.8266 130.956 3.6505 5.896301       5.288613  
1 1 1 1  7  22 o 48.314  1.0664 855.937   37.763  822.210   55.751   884.529   51.332   47.336  1.6069 49.104  1.4262 -1.767662      2.148519  
1 1 1 1  7  23 o 48.819  1.1595 874.168   41.489  887.316   59.920   862.060   57.503   49.163  1.6629 48.460  1.6189 0.7025261      2.320754  
1 1 1 1  7  24 o 90.482  1.8000 3008.09   119.378 3168.25   177.321  2875.32   161.446  92.728  2.6090 88.358  2.4929 4.370026       3.608480  
1 1 1 1  7  25 o 48.295  1.0044 855.731   35.555  774.553   45.810   978.717   56.386   45.926  1.3609 51.614  1.4905 -5.688633      2.018296  
1 1 1 1  7  26 o 32.464  0.7839 386.579   18.652  430.890   30.939   361.279   23.378   34.251  1.2324 31.373  1.0167 2.877083       1.597637  
1 1 1 1  7  27 o 23.333  0.6382 199.668   10.915  183.794   13.752   226.694   17.943   22.380  0.8383 24.849  0.9852 -2.469040      1.293597  
1 1 1 1  7  28 o 64.222  1.3053 1516.76   61.445  1505.09   85.490   1529.23   88.373   63.869  1.8262 64.368  1.8731 -0.4988861     2.616042  
1 1 1 1  7  29 o 44.298  1.0812 721.058   35.105  655.084   45.488   818.217   55.202   42.175  1.4715 47.114  1.5985 -4.938934      2.172698  
1 1 1 1  7  30 o 22.580  0.6080 187.028   10.062  173.165   13.548   204.083   15.027   21.717  0.8511 23.575  0.8697 -1.858183      1.216850  
1 1 1 1  7  31 f 7.1808  0.8907 19.235    4.5871  19.325    6.5671   19.150    6.4101   7.1316  1.3044 7.1027  1.2783 0.2889538E-01  1.826336  
1 1 1 1  7  32 o 19.316  0.5888 136.931   8.3361  152.816   12.438   123.978   11.232   20.392  0.8322 18.367  0.8343 2.024714       1.178394  
1 1 1 1  7  33 o 21.404  0.6091 168.154   9.5552  151.809   12.714   189.372   14.485   20.322  0.8536 22.696  0.8708 -2.373981      1.219329  
1 1 1 1  8  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  8  1  f 117.840 3.7540 5095.45   324.242 4782.36   526.461  5286.79   411.562  113.857 6.3335 119.991 4.6796 -6.134171      7.874776  
1 1 1 1  8  2  o 374.062 7.2879 51504.75  1998.14 49949.74  3169.53  52530.39  2574.09  367.076 11.780 377.246 9.3093 -10.17001      15.01467  
1 1 1 1  8  3  o 400.904 7.8091 59171.23  2294.67 59252.76  3754.58  59122.63  2899.14  399.645 12.818 400.193 9.8837 -0.5478821     16.18573  
1 1 1 1  8  4  o 487.733 9.5195 87707.43  3403.12 90110.24  4947.34  85549.45  4688.56  492.784 13.697 480.314 13.318 12.47021       19.10446  
1 1 1 1  8  5  o 320.209 6.2281 37665.52  1461.73 37055.91  2031.21  38320.34  2105.18  317.245 8.7353 322.583 8.9036 -5.338013      12.47319  
1 1 1 1  8  6  o 396.688 10.950 58077.54  3183.93 59922.18  4641.00  56437.42  4376.17  401.428 15.773 389.740 15.319 11.68744       21.98815  
1 1 1 1  8  7  o 48.730  0.9722 870.289   34.722  832.362   47.087   915.495   51.407   47.655  1.3481 49.978  1.4033 -2.322922      1.945927  
1 1 1 1  8  8  o 175.420 3.4159 11285.91  439.206 10986.85  604.425  11620.48  639.304  173.019 4.7661 177.931 4.9020 -4.911667      6.837108  
1 1 1 1  8  9  o 336.945 7.5967 41773.96  1876.15 43471.79  2757.17  40309.97  2560.29  342.982 10.968 330.370 10.573 12.61176       15.23423  
1 1 1 1  8  10 o 382.373 8.6335 53894.87  2419.67 50848.51  3229.22  57795.03  3653.84  370.447 11.893 394.665 12.631 -24.21799      17.34897  
1 1 1 1  8  11 f 79.776  1.5775 2332.92   92.239  2196.94   122.380  2511.77   140.352  77.408  2.1570 82.766  2.3136 -5.358170      3.163079  
1 1 1 1  8  12 o 34.498  0.7227 436.182   18.273  437.599   25.776   434.750   25.909   34.553  1.0178 34.440  1.0264 0.1126709      1.445433  
1 1 1 1  8  13 o 53.944  1.2474 1066.70   49.320  1157.69   75.296   998.328   65.271   56.190  1.8283 52.181  1.7066 4.008766       2.500996  
1 1 1 1  8  14 o 103.569 2.3556 3935.53   178.820 3759.49   240.620  4152.70   267.252  101.174 3.2447 106.321 3.4294 -5.146141      4.721158  
1 1 1 1  8  15 f 60.309  1.2034 1333.44   53.197  1412.88   79.576   1269.25   71.530   62.067  1.7492 58.830  1.6589 3.236938       2.410712  
1 1 1 1  8  16 o 95.786  1.8829 3365.94   132.190 3495.29   193.907  3253.64   180.682  97.554  2.7119 94.128  2.6189 3.425880       3.769975  
1 1 1 1  8  17 o 145.436 3.3002 7779.01   351.801 8413.74   537.440  7303.14   465.353  150.943 4.8578 140.702 4.5123 10.24117       6.630174  
1 1 1 1  8  18 o 46.446  0.9563 790.822   32.554  777.060   45.209   805.642   46.916   46.033  1.3399 46.871  1.3656 -0.8383904     1.913192  
1 1 1 1  8  19 f 101.117 1.9895 3752.43   147.452 3687.22   205.657  3821.42   211.525  100.165 2.8012 101.968 2.8302 -1.803528      3.982056  
1 1 1 1  8  20 o 21.816  0.6449 174.457   10.313  180.602   15.074   169.051   14.140   22.195  0.9266 21.474  0.8984 0.7212772      1.290615  
1 1 1 1  8  21 o 47.360  0.9733 822.348   33.785  771.944   45.100   886.803   51.000   45.877  1.3412 49.169  1.4151 -3.292507      1.949730  
1 1 1 1  8  22 o 20.541  0.5511 154.658   8.2978  151.833   11.650   157.566   11.822   20.351  0.7810 20.732  0.7780 -0.3806915     1.102374  
1 1 1 1  8  23 o 23.340  0.7413 199.714   12.681  183.138   15.566   232.424   21.867   22.347  0.9503 25.171  1.1852 -2.823643      1.519174  
1 1 1 1  8  24 o 40.843  0.8658 611.771   25.918  561.021   33.826   683.924   40.333   39.100  1.1803 43.167  1.2748 -4.066250      1.737283  
1 1 1 1  8  25 o 63.179  1.2708 1465.85   58.847  1457.37   82.720   1474.53   83.734   62.932  1.7933 63.300  1.8048 -0.3678055     2.544248  
1 1 1 1  8  26 o 57.556  1.4933 1218.44   62.995  1154.71   94.774   1268.88   84.317   55.889  2.3136 58.658  1.9611 -2.769154      3.032917  
1 1 1 1  8  27 o 33.955  0.8063 423.073   20.066  521.099   36.033   379.005   24.159   37.644  1.3059 32.125  1.0260 5.519344       1.660775  
1 1 1 1  8  28 o 67.804  1.3726 1691.78   68.214  1552.25   88.362   1897.58   107.315  64.837  1.8593 71.632  2.0440 -6.794540      2.763142  
1 1 1 1  8  29 o 33.544  1.0721 413.504   26.360  476.349   42.145   373.121   33.784   35.942  1.5998 31.828  1.4482 4.114395       2.157892  
1 1 1 1  8  30 o 62.123  1.3515 1421.68   61.538  1332.58   88.284   1505.89   85.823   59.958  2.0089 63.798  1.8353 -3.839558      2.721032  
1 1 1 1  8  31 o 22.624  0.8722 188.096   14.463  213.315   22.038   169.015   19.169   24.025  1.2559 21.382  1.2283 2.642996       1.756695  
1 1 1 1  8  32 o 32.366  0.7335 384.805   17.401  382.111   24.436   387.575   24.784   32.216  1.0349 32.445  1.0422 -0.2284813     1.468706  
1 1 1 1  9  0  o 103.833 2.8747 3961.25   218.403 4159.98   456.783  3902.36   248.669  105.989 5.9221 103.014 3.3011 0.000000       0.000000  
1 1 1 1  9  1  o 49.310  0.9727 891.128   35.156  854.571   55.211   916.060   45.595   48.285  1.5600 49.994  1.2443 -1.708393      1.995466  
1 1 1 1  9  2  o 403.178 7.8510 59801.73  2320.09 59875.87  4647.07  59777.12  2677.69  401.087 15.807 402.837 9.0688 -1.750671      18.22408  
1 1 1 1  9  3  o 204.831 3.9804 15390.93  597.597 15060.92  954.883  15603.40  766.191  202.465 6.4346 206.178 5.0701 -3.713089      8.192037  
1 1 1 1  9  4  o 169.811 3.3005 10574.75  410.800 10623.86  672.936  10545.59  518.656  170.110 5.3971 169.543 4.1737 0.5674286      6.822641  
1 1 1 1  9  5  o 196.080 3.8074 14102.90  547.189 14026.41  769.927  14180.95  777.817  195.460 5.3742 196.532 5.3996 -1.072159      7.618223  
1 1 1 1  9  6  o 198.509 4.8771 14463.74  709.619 14697.16  930.451  14139.21  1097.13  199.998 6.3473 196.051 7.6349 3.946884       9.928752  
1 1 1 1  9  7  o 438.111 12.160 71052.70  3904.84 76251.05  5903.18  67008.56  5206.72  451.259 17.848 423.554 16.772 27.70453       24.49128  
1 1 1 1  9  8  o 250.439 5.2032 23031.56  955.106 22736.08  1440.32  23263.46  1276.01  248.503 7.9076 251.504 6.9219 -3.000717      10.50920  
1 1 1 1  9  9  o 244.929 4.7822 22026.73  858.521 22719.08  1245.42  21399.81  1185.09  248.505 6.8375 241.200 6.7034 7.305099       9.575346  
1 1 1 1  9  10 o 112.845 2.5576 4669.79   211.543 4682.85   299.229  4656.73   299.106  112.967 3.6139 112.651 3.6225 0.3159103      5.116907  
1 1 1 1  9  11 o 200.401 3.9191 14746.28  575.657 15899.97  876.565  13871.39  763.334  207.863 5.7534 194.203 5.3626 13.65977       7.865095  
1 1 1 1  9  12 o 116.941 2.2870 5015.78   196.023 5263.15   290.917  4810.07   265.289  119.736 3.3149 114.475 3.1618 5.260895       4.580937  
1 1 1 1  9  13 o 124.551 2.8099 5694.27   256.522 6076.66   385.941  5391.64   343.337  128.550 4.0961 121.110 3.8678 7.440170       5.633594  
1 1 1 1  9  14 o 102.685 2.0158 3868.22   151.721 3856.80   214.171  3879.72   214.961  102.481 2.8513 102.785 2.8533 -0.3038406     4.033759  
1 1 1 1  9  15 o 149.941 2.9300 8259.87   322.007 8362.20   460.673  8162.11   450.279  150.674 4.1713 148.868 4.1266 1.805557       5.867637  
1 1 1 1  9  16 o 98.596  1.9403 3567.06   140.221 3692.66   204.200  3454.99   192.888  100.252 2.7790 96.978  2.7136 3.274185       3.884136  
1 1 1 1  9  17 o 120.141 3.3451 5310.25   294.568 5166.18   403.584  5474.49   430.922  118.286 4.6550 121.729 4.8297 -3.443619      6.707870  
1 1 1 1  9  18 o 90.919  1.7985 3032.97   119.853 2914.06   162.757  3173.85   177.151  89.071  2.4930 92.947  2.6003 -3.876511      3.602328  
1 1 1 1  9  19 o 87.886  1.7429 2834.01   112.275 2933.83   164.992  2747.93   153.222  89.363  2.5190 86.494  2.4169 2.868942       3.490940  
1 1 1 1  9  20 o 45.408  1.3139 756.203   43.728  755.740   61.850   756.665   61.831   45.377  1.8596 45.404  1.8579 -0.2783585E-01 2.628695  
1 1 1 1  9  21 o 54.674  1.1127 1096.18   44.591  1151.17   65.680   1049.17   60.732   56.009  1.5999 53.473  1.5495 2.536579       2.227280  
1 1 1 1  9  22 o 71.483  1.4242 1875.15   74.621  1952.07   109.213  1807.80   102.196  72.883  2.0444 70.143  1.9878 2.739883       2.851445  
1 1 1 1  9  23 o 30.440  0.7346 339.738   16.391  324.535   24.223   352.576   22.260   29.743  1.1111 31.005  0.9795 -1.261791      1.481257  
1 1 1 1  9  24 o 32.437  0.8353 385.884   19.858  429.120   30.531   354.183   26.144   34.190  1.2183 31.065  1.1482 3.125626       1.674114  
1 1 1 1  9  25 o 43.176  0.9119 684.037   28.859  761.069   44.501   628.127   37.912   45.510  1.3341 41.351  1.2509 4.158722       1.828791  
1 1 1 1  9  26 o 46.992  1.3671 812.040   47.089  801.257   65.738   823.404   67.484   46.602  1.9246 47.237  1.9491 -0.6355858     2.739172  
1 1 1 1  9  27 o 35.908  0.7844 473.162   20.645  508.876   31.102   445.032   27.603   37.212  1.1403 34.804  1.0820 2.407784       1.571972  
1 1 1 1  9  28 o 19.241  0.6096 135.798   8.5976  131.601   13.176   138.910   11.346   18.906  0.9539 19.455  0.7957 -0.5487862     1.242206  
1 1 1 1  9  29 o 16.766  0.6608 103.130   8.1206  103.525   11.437   102.728   11.532   16.762  0.9346 16.696  0.9462 0.6591415E-01  1.329987  
1 1 1 1  9  30 o 20.979  0.5979 161.485   9.1932  178.945   13.776   147.468   12.344   22.072  0.8516 20.037  0.8405 2.034489       1.196488  
1 1 1 1  9  31 o 20.353  0.8330 152.232   12.426  153.274   17.578   151.192   17.568   20.359  1.1831 20.219  1.1907 0.1403961      1.678534  
1 1 1 1  9  32 o 8.9638  0.7521 29.728    4.8960  23.330    6.8545   36.391    6.9956   7.8598  1.2302 9.8962  0.9772 -2.036356      1.571069  
1 1 1 1  10 0  o 79.003  2.1951 2293.00   126.887 2429.23   267.454  2253.43   144.142  81.010  4.5368 78.285  2.5180 0.000000       0.000000  
1 1 1 1  10 1  o 307.655 5.9783 34768.02  1348.10 34818.69  2204.52  34737.75  1703.81  307.286 9.7879 307.309 7.5642 -0.2316284E-01 12.37017  
1 1 1 1  10 2  o 249.870 5.1923 22921.53  950.945 22556.77  1753.43  23073.52  1131.86  247.338 9.6720 250.607 6.1619 -3.269348      11.46810  
1 1 1 1  10 3  o 238.959 4.6405 20956.53  812.775 21417.43  1355.70  20697.91  1015.52  241.275 7.6660 237.382 5.8366 3.893494       9.635010  
1 1 1 1  10 4  o 121.479 2.3621 5410.30   210.317 5393.94   342.621  5420.19   266.419  121.257 3.8550 121.576 2.9897 -0.3193054     4.878493  
1 1 1 1  10 5  o 148.138 3.3238 8048.71   360.895 8113.95   514.572  7985.54   506.294  148.678 4.7219 147.499 4.6831 1.179260       6.650397  
1 1 1 1  10 6  o 305.632 6.8625 34354.12  1537.32 34927.73  2209.47  33815.82  2140.36  307.612 9.7995 302.710 9.6467 4.902496       13.75100  
1 1 1 1  10 7  o 190.212 3.6973 13274.25  515.474 13506.91  741.696  13056.88  716.916  191.762 5.2769 188.547 5.1876 3.214554       7.399829  
1 1 1 1  10 8  o 159.633 3.1080 9347.07   363.647 9136.44   503.398  9576.95   525.887  157.757 4.3535 161.510 4.4423 -3.752686      6.219942  
1 1 1 1  10 9  o 69.393  1.3652 1765.12   69.439  1761.66   97.957   1768.61   98.447   69.318  1.9280 69.455  1.9338 -0.1364365     2.730735  
1 1 1 1  10 10 o 182.615 4.1136 12249.31  550.598 12548.35  798.255  11977.94  760.447  184.609 5.8994 180.385 5.7516 4.223877       8.239162  
1 1 1 1  10 11 o 81.209  1.5928 2417.90   94.805  2389.32   132.432  2447.94   135.781  80.711  2.2386 81.694  2.2676 -0.9831314     3.186449  
1 1 1 1  10 12 o 89.146  1.7448 2914.26   114.004 2895.22   160.167  2933.81   162.307  88.826  2.4601 89.416  2.4765 -0.5892410     3.490731  
1 1 1 1  10 13 o 67.615  1.8835 1677.00   93.343  1636.88   128.887  1721.24   135.363  66.772  2.6335 68.468  2.6973 -1.696022      3.769713  
1 1 1 1  10 14 o 126.009 2.8537 5833.06   263.569 5898.68   375.671  5769.46   369.883  126.561 4.0497 125.170 4.0316 1.391251       5.714407  
1 1 1 1  10 15 o 27.573  0.8690 278.703   17.562  248.253   22.276   328.717   28.549   26.021  1.1680 29.941  1.3009 -3.919792      1.748295  
1 1 1 1  10 16 f 104.698 2.6052 4026.96   199.923 4312.83   275.524  3709.06   290.542  108.250 3.4726 100.324 3.9512 7.925774       5.260266  
1 1 1 1  10 17 o 57.834  1.3425 1226.61   56.908  1215.80   79.486   1237.97   81.513   57.560  1.8840 58.081  1.9147 -0.5212364     2.686229  
1 1 1 1  10 18 o 31.286  0.7391 358.799   16.948  377.079   26.981   346.886   21.781   32.068  1.1479 30.760  0.9661 1.308323       1.500304  
1 1 1 1  10 19 o 29.610  0.6640 321.380   14.410  294.547   18.923   358.421   22.233   28.345  0.9108 31.267  0.9701 -2.921907      1.330709  
1 1 1 1  10 20 o 71.923  1.6608 1898.33   87.552  1990.76   128.928  1819.23   119.270  73.600  2.3899 70.364  2.3126 3.235870       3.325643  
1 1 1 1  10 21 o 99.033  2.1088 3603.99   153.075 3488.43   197.905  3776.08   241.510  97.337  2.7739 101.181 3.2565 -3.844643      4.277816  
1 1 1 1  10 22 o 44.707  0.9245 732.960   30.294  796.070   46.033   684.744   40.236   46.575  1.3484 43.199  1.2707 3.375877       1.852864  
1 1 1 1  10 23 o 69.981  1.4000 1798.29   71.810  1719.33   97.116   1893.54   106.663  68.366  1.9381 71.733  2.0287 -3.367149      2.805650  
1 1 1 1  10 24 o 27.534  0.7470 278.039   15.076  285.705   21.711   270.900   20.951   27.900  1.0617 27.168  1.0521 0.7321301      1.494703  
1 1 1 1  10 25 o 52.544  1.0787 1013.85   41.543  993.345   57.341   1036.49   60.269   51.960  1.5056 53.071  1.5494 -1.110420      2.160414  
1 1 1 1  10 26 o 27.919  0.6548 285.920   13.399  293.768   19.279   278.586   18.636   28.287  0.9299 27.546  0.9230 0.7402573      1.310194  
1 1 1 1  10 27 f 68.990  1.3905 1751.99   70.311  1755.71   99.273   1748.26   99.596   68.911  1.9654 68.762  1.9761 0.1497269      2.787119  
1 1 1 1  10 28 o 26.198  0.6418 251.798   12.324  262.621   17.827   241.892   17.055   26.741  0.9095 25.664  0.9067 1.076883       1.284231  
1 1 1 1  10 29 o 57.579  1.3646 1221.61   57.591  1095.81   73.117   1427.19   93.473   54.416  1.8332 62.024  2.0561 -7.607498      2.754683  
1 1 1 1  10 30 o 24.889  0.6336 227.355   11.559  212.808   15.686   244.636   17.098   24.062  0.8894 25.797  0.9042 -1.735422      1.268361  
1 1 1 1  10 31 o 8.1475  0.8010 24.630    4.7219  24.163    6.7262   25.084    6.6303   8.0109  1.1809 8.1727  1.1377 -0.1617393     1.639818  
1 1 1 1  11 0  o 34.036  0.9817 425.617   24.445  415.743   27.710   460.264   51.907   33.624  1.1272 35.263  2.0235 -0.000000      0.000000  
1 1 1 1  11 1  o 279.737 5.4378 28741.48  1114.95 28862.23  1828.02  28669.96  1406.94  279.804 8.9134 279.205 6.8750 0.5996094      11.25678  
1 1 1 1  11 2  o 424.003 11.753 66574.81  3652.56 64565.47  5005.85  68862.63  5341.48  415.504 16.437 428.812 16.995 -13.30753      23.64307  
1 1 1 1  11 3  o 118.243 3.2534 5128.17   281.968 5048.30   392.775  5213.10   405.033  117.272 4.5695 119.168 4.6371 -1.895958      6.510258  
1 1 1 1  11 4  o 36.486  0.7364 487.898   19.694  516.051   33.906   473.563   24.194   37.523  1.2328 35.946  0.9183 1.576859       1.537243  
1 1 1 1  11 5  o 300.638 6.7584 33254.16  1489.25 33573.79  2603.31  33098.68  1815.69  300.872 11.805 299.643 8.2672 1.228668       14.41190  
1 1 1 1  11 6  o 177.686 3.4530 11583.61  449.711 11387.16  625.368  11794.00  647.168  176.078 4.8456 179.189 4.9275 -3.111115      6.910882  
1 1 1 1  11 7  f 146.082 2.8400 7827.48   304.082 7972.04   437.789  7692.73   422.682  147.359 4.0533 144.759 3.9837 2.600174       5.683225  
1 1 1 1  11 8  o 102.893 2.0085 3881.89   151.471 3880.68   214.123  3883.10   214.302  102.850 2.8404 102.882 2.8419 -0.3205109E-01 4.017957  
1 1 1 1  11 9  o 210.400 4.0942 16264.79  631.392 16591.44  910.559  15962.28  876.275  212.220 5.8538 208.178 5.7428 4.042343       8.200461  
1 1 1 1  11 10 o 116.228 2.6233 4957.05   223.478 4841.70   308.047  5085.21   324.702  114.800 3.6610 117.643 3.7656 -2.843033      5.251927  
1 1 1 1  11 11 o 131.505 2.5619 6347.10   246.938 6217.14   342.276  6488.17   356.612  130.059 3.5905 132.856 3.6621 -2.796844      5.128644  
1 1 1 1  11 12 o 111.656 2.1813 4574.85   178.512 4630.92   255.260  4521.17   249.740  112.264 3.1021 110.928 3.0716 1.335464       4.365546  
1 1 1 1  11 13 o 59.062  1.3568 1279.14   58.737  1241.23   80.737   1321.78   85.611   58.165  1.8938 60.021  1.9460 -1.855759      2.715395  
1 1 1 1  11 14 o 61.707  1.2274 1396.20   55.512  1326.77   74.747   1481.61   82.897   60.139  1.6957 63.548  1.7797 -3.409328      2.458248  
1 1 1 1  11 15 o 177.496 3.4887 11597.77  453.874 12572.27  692.581  10864.23  600.890  184.326 5.1263 171.455 4.7815 12.87099       7.010083  
1 1 1 1  11 16 o 64.003  1.2737 1502.16   59.753  1495.02   83.895   1509.50   85.126   63.831  1.7932 64.139  1.8108 -0.3076363     2.548410  
1 1 1 1  11 17 f 63.761  1.4687 1491.19   68.639  1472.01   95.988   1511.27   98.188   63.323  2.0681 64.161  2.0879 -0.8380127     2.938794  
1 1 1 1  11 18 o 40.507  0.8456 601.503   25.106  598.235   35.420   604.804   35.592   40.390  1.1965 40.611  1.1957 -0.2211456     1.691515  
1 1 1 1  11 19 o 42.911  0.8875 675.095   27.916  665.419   39.033   685.226   39.940   42.595  1.2502 43.224  1.2607 -0.6290131     1.775501  
1 1 1 1  11 20 o 110.476 2.1720 4485.22   175.876 4385.62   243.898  4593.10   253.852  109.097 3.0501 111.638 3.1023 -2.540436      4.350584  
1 1 1 1  11 21 o 142.783 2.8064 7514.35   293.699 7756.36   428.388  7299.71   403.440  144.622 4.0413 140.348 3.9218 4.273804       5.631429  
1 1 1 1  11 22 o 75.897  1.5143 2115.50   84.241  2124.36   119.931  2106.87   118.355  75.974  2.1537 75.664  2.1341 0.3106003      3.031969  
1 1 1 1  11 23 o 97.222  1.9372 3480.15   138.046 3673.62   203.687  3315.79   187.740  99.640  2.7890 94.690  2.7050 4.950165       3.885308  
1 1 1 1  11 24 o 63.004  1.4620 1459.88   67.513  1494.39   97.571   1428.18   93.513   63.628  2.0921 62.211  2.0508 1.416824       2.929643  
1 1 1 1  11 25 o 36.662  1.1120 493.793   29.881  540.562   45.595   458.582   39.562   38.306  1.6239 35.293  1.5294 3.013775       2.230707  
1 1 1 1  11 26 o 32.281  1.0208 382.796   24.153  422.066   36.652   352.652   32.112   33.852  1.4772 30.950  1.4156 2.902464       2.045928  
1 1 1 1  11 27 o 63.987  1.8368 1513.13   86.147  1714.25   136.126  1378.78   111.261  67.760  2.7409 60.866  2.4940 6.894291       3.705688  
1 1 1 1  11 28 o 25.955  0.6833 247.207   12.999  238.549   19.078   254.710   17.758   25.476  1.0217 26.332  0.9201 -0.8559742     1.374912  
1 1 1 1  11 29 o 14.041  0.5867 72.332    6.0380  69.920    8.5326   74.752    8.5454   13.770  0.8496 14.242  0.8221 -0.4722624     1.182197  
1 1 1 1  11 30 o 25.757  0.6918 243.616   13.060  242.784   17.180   244.756   20.102   25.694  0.9123 25.781  1.0638 -0.8794212E-01 1.401382  
1 1 1 1  11 31 o 21.308  0.6009 166.682   9.3850  159.368   12.938   174.803   13.633   20.817  0.8480 21.802  0.8532 -0.9843578     1.202897  
1 1 1 1  12 0  o 176.960 4.8787 11515.06  631.708 11363.28  719.888  12023.24  1317.26  175.691 5.6032 179.872 10.063 -0.000000      0.000000  
1 1 1 1  12 1  o 299.064 5.8212 32882.16  1276.01 32824.41  2080.62  32916.98  1615.48  298.008 9.5254 298.935 7.3730 -0.9272461     12.04552  
1 1 1 1  12 2  o 216.108 5.9509 17173.88  942.618 17181.85  1332.18  17165.89  1333.94  215.791 8.4227 215.688 8.4378 0.1028595      11.92219  
1 1 1 1  12 3  o 127.284 3.5008 5944.73   326.600 5932.19   460.974  5957.36   462.795  127.071 4.9494 127.340 4.9584 -0.2687531     7.005855  
1 1 1 1  12 4  o 200.124 5.5065 14725.56  807.709 15082.49  1169.03  14399.54  1117.27  202.188 7.8884 197.586 7.7148 4.601913       11.03381  
1 1 1 1  12 5  f 169.349 3.8016 10528.47  471.878 10389.11  806.832  10600.92  581.748  167.939 6.5547 169.856 4.6728 -1.917038      8.049760  
1 1 1 1  12 6  f 163.938 3.1884 9862.92   383.119 10047.66  637.637  9758.55   479.277  165.270 5.2638 163.003 4.0115 2.267548       6.618139  
1 1 1 1  12 7  o 207.160 4.0295 15767.31  611.841 15788.71  866.885  15746.08  863.673  207.038 5.7126 206.761 5.6990 0.2772522      8.069217  
1 1 1 1  12 8  o 105.526 2.0606 4084.13   159.377 4161.33   229.805  4012.59   221.226  106.476 2.9446 104.559 2.8866 1.917076       4.123508  
1 1 1 1  12 9  o 42.077  0.8492 648.930   26.188  650.774   37.082   647.095   36.989   42.133  1.2008 42.014  1.2012 0.1192932      1.698434  
1 1 1 1  12 10 o 140.984 3.1716 7302.88   327.736 7323.07   464.800  7282.90   462.187  140.997 4.4975 140.612 4.4845 0.3851471      6.351271  
1 1 1 1  12 11 o 61.613  1.4119 1392.03   63.760  1373.18   88.813   1412.08   91.592   61.177  1.9806 62.036  2.0143 -0.8591614     2.824976  
1 1 1 1  12 12 o 104.625 2.0541 4017.17   157.523 3939.72   217.838  4102.04   228.053  103.543 2.8703 105.647 2.9451 -2.104027      4.112459  
1 1 1 1  12 13 o 109.047 2.4630 4367.59   196.860 4562.98   290.349  4201.34   267.817  111.326 3.5583 106.842 3.4199 4.483887       4.935331  
1 1 1 1  12 14 f 154.346 3.0119 8760.98   340.735 8923.16   490.559  8609.79   473.631  155.486 4.3045 152.750 4.2304 2.736115       6.035274  
1 1 1 1  12 15 o 65.218  1.2994 1559.83   62.115  1525.23   86.111   1597.35   89.688   64.470  1.8223 65.975  1.8547 -1.505058      2.600136  
1 1 1 1  12 16 o 71.809  1.4193 1891.37   74.700  1872.68   104.614  1910.81   106.702  71.425  1.9983 72.147  2.0178 -0.7224579     2.839831  
1 1 1 1  12 17 o 54.718  1.1026 1097.86   44.221  1056.06   60.424   1146.06   64.889   53.652  1.5365 55.890  1.5840 -2.237484      2.206810  
1 1 1 1  12 18 o 96.741  2.2011 3438.11   156.075 3525.94   226.579  3358.81   215.299  97.844  3.1594 95.509  3.0755 2.334610       4.409160  
1 1 1 1  12 19 o 102.348 2.3223 3850.87   174.210 3831.84   244.778  3870.41   247.993  101.938 3.2761 102.444 3.3027 -0.5065460     4.651969  
1 1 1 1  12 20 o 97.687  2.0686 3508.14   148.114 3424.93   220.970  3576.02   199.588  96.329  3.1297 98.507  2.7643 -2.178665      4.175662  
1 1 1 1  12 21 o 26.741  0.6311 262.164   12.370  266.025   17.563   258.364   17.426   26.933  0.8897 26.542  0.8957 0.3907604      1.262510  
1 1 1 1  12 22 o 8.3137  0.7259 25.539    4.3791  30.169    6.2762   21.146    6.1131   9.0170  0.9646 7.5044  1.1479 1.512553       1.499347  
1 1 1 1  12 23 o 63.848  1.2808 1497.79   59.938  1459.01   82.640   1540.83   87.064   62.940  1.7914 64.672  1.8367 -1.732597      2.565624  
1 1 1 1  12 24 f 64.174  1.4981 1515.72   70.467  1452.75   95.608   1590.62   104.264  62.704  2.0803 65.589  2.1688 -2.884617      3.005223  
1 1 1 1  12 25 o 20.122  0.7700 148.589   11.357  155.836   16.396   141.904   15.746   20.564  1.0917 19.620  1.0994 0.9442730      1.549333  
1 1 1 1  12 26 o 25.726  0.6245 242.775   11.776  235.744   16.296   250.459   17.035   25.338  0.8775 26.116  0.8899 -0.7781143     1.249759  
1 1 1 1  12 27 o 13.900  0.5602 70.871    5.7078  63.718    7.8371   78.950    8.3293   13.148  0.8173 14.645  0.7788 -1.496081      1.128895  
1 1 1 1  12 28 o 15.050  0.5677 83.091    6.2624  71.922    8.4231   96.896    9.3643   13.970  0.8263 16.244  0.7865 -2.274839      1.140769  
1 1 1 1  12 29 o 48.186  1.0026 854.352   35.412  826.741   48.499   885.883   51.826   47.312  1.3986 48.962  1.4441 -1.650425      2.010356  
1 1 1 1  12 30 o 29.254  1.1349 315.560   24.334  336.312   31.186   283.258   38.908   30.151  1.4111 27.491  1.9435 2.660078       2.401753  
1 1 1 1  12 31 o 39.470  0.8564 573.026   24.775  560.838   34.401   586.160   35.711   38.979  1.2041 39.845  1.2228 -0.8657913     1.716117  
1 1 1 1  13 0  o 129.749 3.5852 6189.15   340.366 6556.00   719.029  6083.21   386.401  132.885 7.4355 128.567 4.1099 0.000000       0.000000  
1 1 1 1  13 1  o 170.687 4.2034 10702.99  525.875 10342.26  803.008  10973.87  695.848  167.497 6.5408 172.684 5.4977 -5.187225      8.544411  
1 1 1 1  13 2  o 212.739 5.8614 16667.19  913.969 16789.24  1301.97  16548.61  1283.32  212.987 8.3400 211.470 8.2795 1.516785       11.75190  
1 1 1 1  13 3  o 139.917 3.8508 7190.43   394.912 7132.18   553.982  7250.62   563.108  139.196 5.4299 140.342 5.4742 -1.145889      7.710429  
1 1 1 1  13 4  o 230.829 6.3703 19654.86  1077.78 19694.33  1527.84  19615.76  1520.60  230.298 9.0512 229.846 9.0260 0.4514618      12.78256  
1 1 1 1  13 5  o 44.918  1.2567 739.613   41.373  792.958   88.236   724.579   46.842   46.415  2.6041 44.457  1.4375 1.958145       2.974554  
1 1 1 1  13 6  o 155.644 3.0277 8894.03   345.408 8799.25   558.310  8952.80   439.645  154.583 4.9276 156.072 3.8432 -1.488297      6.249105  
1 1 1 1  13 7  o 177.482 3.4637 11575.22  450.585 11273.72  620.196  11912.26  655.735  174.933 4.8370 179.791 4.9760 -4.858429      6.939530  
1 1 1 1  13 8  o 210.511 4.1031 16310.88  633.102 16274.02  893.969  16347.98  896.719  209.818 5.8130 210.293 5.8177 -0.4747772     8.224124  
1 1 1 1  13 9  o 131.335 2.5603 6333.64   246.468 6186.29   340.508  6495.79   357.209  129.679 3.5824 132.871 3.6678 -3.192169      5.127069  
1 1 1 1  13 10 o 54.087  1.0763 1072.50   42.667  1080.08   60.727   1065.11   59.961   54.267  1.5267 53.890  1.5180 0.3769798      2.152972  
1 1 1 1  13 11 f 15.751  0.5405 90.928    6.2399  83.037    8.4413   100.436   9.2654   15.031  0.7688 16.553  0.7637 -1.521591      1.083597  
1 1 1 1  13 12 o 60.839  1.3898 1357.52   61.975  1336.94   86.302   1379.43   89.054   60.354  1.9509 61.305  1.9819 -0.9501305     2.780967  
1 1 1 1  13 13 o 11.883  0.4651 51.755    4.0511  53.065    5.7569   50.470    5.7016   12.014  0.6562 11.715  0.6668 0.2990141      0.9355257 
1 1 1 1  13 14 o 50.050  1.0083 918.419   36.989  942.494   53.448   896.292   51.241   50.690  1.4386 49.433  1.4142 1.257317       2.017311  
1 1 1 1  13 15 o 58.030  1.1567 1234.83   49.199  1233.82   69.544   1235.84   69.613   57.989  1.6362 58.037  1.6365 -0.4735184E-01 2.314100  
1 1 1 1  13 16 o 102.712 2.0147 3873.70   151.674 3877.07   214.835  3870.36   214.167  102.658 2.8552 102.570 2.8487 0.8804321E-01  4.033276  
1 1 1 1  13 17 f 87.079  1.7125 2783.13   109.301 2694.75   149.638  2884.22   160.035  85.624  2.3843 88.574  2.4651 -2.950111      3.429514  
1 1 1 1  13 18 o 42.485  1.0176 661.880   31.689  708.409   47.508   624.585   42.533   43.938  1.4752 41.259  1.4065 2.678867       2.038212  
1 1 1 1  13 19 o 63.806  1.8017 1495.57   84.261  1379.62   109.947  1660.61   131.170  61.221  2.4502 67.140  2.6654 -5.918999      3.620499  
1 1 1 1  13 20 o 76.890  1.5214 2171.06   85.744  2174.74   121.545  2167.42   120.977  76.876  2.1571 76.747  2.1506 0.1284561      3.045978  
1 1 1 1  13 21 o 49.479  1.0094 898.267   36.606  887.293   51.191   909.750   52.367   49.148  1.4211 49.765  1.4357 -0.6168747     2.020037  
1 1 1 1  13 22 o 20.139  0.5565 148.701   8.2141  157.877   12.015   140.647   11.255   20.746  0.7901 19.581  0.7842 1.164618       1.113247  
1 1 1 1  13 23 o 67.030  1.3459 1652.36   66.123  1795.05   100.680  1544.12   87.685   69.727  1.9700 64.699  1.8491 5.028297       2.701819  
1 1 1 1  13 24 o 50.134  1.1901 924.122   43.732  943.403   62.897   906.079   60.845   50.569  1.6969 49.563  1.6749 1.006233       2.384292  
1 1 1 1  13 25 o 33.752  0.8613 418.289   21.309  379.584   27.666   474.735   33.410   32.127  1.1749 35.918  1.2690 -3.791290      1.729401  
1 1 1 1  13 26 o 58.571  1.1925 1262.19   51.195  1180.81   67.980   1368.83   77.814   56.552  1.6400 60.858  1.7444 -4.306446      2.394318  
1 1 1 1  13 27 o 30.665  0.7015 345.141   15.768  358.947   23.072   333.042   21.598   31.247  1.0074 30.101  0.9789 1.146002       1.404687  
1 1 1 1  13 28 o 2.5759  1.1101 -0.4005   3.8057  -0.6044   5.3099   -0.1851   5.4573   3.0336  1.3093 3.1359  1.3399 -0.1022489     1.873366  
1 1 1 1  13 29 o 39.776  0.8541 581.800   24.902  561.760   34.221   604.355   36.305   39.022  1.1965 40.468  1.2240 -1.446121      1.711642  
1 1 1 1  13 30 o 3.2063  1.4389 -3.2490   7.0239  2.3944    9.9512   -8.8520   9.9154   4.5117  1.8603 3.4650  1.6118 1.046645       2.461422  
1 1 1 1  14 0  o 148.304 4.0976 8092.69   444.640 7700.60   846.198  8242.24   522.602  143.807 8.0866 149.565 4.7782 0.000000       0.000000  
1 1 1 1  14 1  o 220.150 6.0843 17897.77  981.764 17626.46  1116.65  18821.68  2060.61  218.213 6.9816 222.628 12.681 -4.414856      14.47546  
1 1 1 1  14 2  o 115.830 3.1940 4927.65   271.169 5020.25   390.315  4841.25   377.012  116.782 4.5599 114.689 4.4849 2.092575       6.395876  
1 1 1 1  14 3  o 95.484  2.6346 3346.49   184.388 3350.11   261.010  3342.88   260.518  95.461  3.7303 95.359  3.7273 0.1029205      5.273366  
1 1 1 1  14 4  o 139.819 3.8581 7190.10   395.385 7019.79   546.432  7377.26   572.820  137.917 5.4055 141.362 5.5285 -3.445282      7.731982  
1 1 1 1  14 5  o 29.192  1.2336 312.432   26.395  322.858   38.377   303.073   36.361   29.616  1.7762 28.693  1.7371 0.9223270      2.484391  
1 1 1 1  14 6  o 46.899  0.9324 806.265   32.049  838.999   54.440   788.902   39.648   47.831  1.5529 46.388  1.1661 1.442982       1.941961  
1 1 1 1  14 7  o 40.175  0.8090 591.644   23.823  589.162   38.863   593.139   30.153   40.084  1.3228 40.224  1.0228 -0.1395569     1.672054  
1 1 1 1  14 8  o 85.368  1.6707 2673.33   104.538 2588.41   143.245  2770.10   152.906  83.964  2.3276 86.855  2.4019 -2.891739      3.344640  
1 1 1 1  14 9  o 140.040 2.7311 7206.87   280.333 7167.35   394.747  7247.07   398.177  139.465 3.8617 140.236 3.8738 -0.7710876     5.469794  
1 1 1 1  14 10 o 47.987  0.9614 844.212   33.814  839.341   47.530   849.205   48.115   47.839  1.3555 48.119  1.3642 -0.2800560     1.923140  
1 1 1 1  14 11 o 144.690 3.2682 7706.57   346.598 7450.87   474.483  7999.11   507.509  141.971 4.5598 147.059 4.7084 -5.088501      6.554402  
1 1 1 1  14 12 o 44.830  1.0464 736.869   34.384  731.998   48.358   741.848   48.899   44.671  1.4769 44.970  1.4835 -0.2993622     2.093358  
1 1 1 1  14 13 o 58.850  1.1699 1270.02   50.464  1305.50   73.186   1237.87   69.678   59.647  1.6740 58.084  1.6367 1.563816       2.341151  
1 1 1 1  14 14 o 88.981  1.7451 2905.73   113.816 2893.32   160.181  2918.39   161.752  88.729  2.4630 89.111  2.4765 -0.3821182     3.492771  
1 1 1 1  14 15 o 95.104  1.8657 3320.56   130.055 3333.58   184.676  3307.74   183.185  95.206  2.6465 94.838  2.6353 0.3682404      3.734753  
1 1 1 1  14 16 o 36.154  0.7596 479.193   20.130  487.991   28.915   470.919   28.042   36.479  1.0814 35.835  1.0676 0.6434822      1.519631  
1 1 1 1  14 17 o 19.889  0.5290 144.992   7.7123  141.847   10.689   148.406   11.139   19.670  0.7414 20.120  0.7553 -0.4495411     1.058368  
1 1 1 1  14 18 o 25.377  0.6961 236.097   12.948  230.613   17.939   242.061   18.706   25.076  0.9760 25.691  0.9934 -0.6145115     1.392665  
1 1 1 1  14 19 o 47.389  1.1185 823.942   38.850  859.713   57.044   792.994   53.058   48.377  1.6087 46.465  1.5579 1.911682       2.239438  
1 1 1 1  14 20 o 32.989  0.7197 399.069   17.402  402.096   24.775   396.121   24.448   33.104  1.0211 32.857  1.0152 0.2466316      1.439848  
1 1 1 1  14 21 o 29.778  0.6738 325.193   14.706  324.652   20.670   325.747   20.927   29.743  0.9481 29.793  0.9583 -0.4970551E-01 1.348081  
1 1 1 1  14 22 o 44.736  0.9287 734.664   30.451  747.455   43.788   722.684   42.375   45.085  1.3251 44.334  1.3040 0.7509995      1.859134  
1 1 1 1  14 23 o 4.0709  1.2335 6.1233    3.9987  5.5311    5.4536   6.8118    5.8804   4.1358  1.4526 4.4656  1.5107 -0.3297377     2.095790  
1 1 1 1  14 24 o 36.405  0.9164 486.763   24.453  446.205   32.128   542.606   37.699   34.822  1.2588 38.389  1.3398 -3.567276      1.838384  
1 1 1 1  14 25 o 46.354  0.9608 789.531   32.643  777.347   45.513   802.440   46.845   45.936  1.3517 46.669  1.3695 -0.7323761     1.924243  
1 1 1 1  14 26 o 24.116  0.6146 213.389   10.864  206.023   15.008   221.496   15.746   23.683  0.8646 24.555  0.8749 -0.8725224     1.230016  
1 1 1 1  14 27 o 40.781  0.8701 611.157   26.008  615.666   36.788   606.652   36.773   40.876  1.2279 40.574  1.2365 0.3019180      1.742612  
1 1 1 1  14 28 o 19.931  0.5813 145.801   8.4919  136.348   11.593   156.747   12.475   19.259  0.8212 20.649  0.8242 -1.390261      1.163509  
1 1 1 1  14 29 o 23.397  0.7268 201.190   12.464  218.347   18.545   187.057   16.832   24.339  1.0396 22.530  1.0193 1.808802       1.455868  
1 1 1 1  15 0  o 75.580  2.0947 2099.70   115.839 2103.56   232.042  2098.42   133.690  75.306  4.2346 75.520  2.4209 0.000000       0.000000  
1 1 1 1  15 1  o 150.699 4.1576 8367.24   459.239 8286.31   525.274  8629.75   946.081  149.840 4.7827 151.527 8.5533 -1.686935      9.799694  
1 1 1 1  15 2  o 224.484 6.2277 18693.96  1024.69 18693.43  1449.16  18694.48  1449.11  223.104 8.8619 223.110 8.8614 -0.6622314E-02 12.53227  
1 1 1 1  15 3  o 75.734  2.0976 2105.06   116.440 2099.18   164.349  2110.98   164.994  75.574  2.9670 75.786  2.9703 -0.2118607     4.198285  
1 1 1 1  15 4  o 37.704  1.0842 521.203   29.963  540.035   43.869   504.735   41.023   38.371  1.5598 37.097  1.5087 1.274281       2.170089  
1 1 1 1  15 5  o 103.121 4.0392 3919.72   305.297 3961.36   436.308  3879.77   427.344  103.197 5.7917 102.141 5.7313 1.055908       8.148129  
1 1 1 1  15 6  o 45.035  1.2870 743.734   42.483  762.671   61.262   726.190   58.965   45.590  1.8333 44.487  1.8083 1.102962       2.575108  
1 1 1 1  15 7  o 90.628  1.7696 3013.86   117.551 2964.91   189.005  3044.74   150.119  89.797  2.8716 91.056  2.2493 -1.258850      3.647671  
1 1 1 1  15 8  o 155.316 3.0272 8875.08   344.614 8834.39   560.220  8899.86   437.096  154.460 4.9484 155.350 3.8387 -0.8900299     6.262756  
1 1 1 1  15 9  o 27.732  0.5937 281.897   12.069  278.459   16.843   285.526   17.301   27.561  0.8338 27.908  0.8458 -0.3474216     1.187672  
1 1 1 1  15 10 o 128.387 2.5036 6057.84   235.593 6056.48   333.155  6059.19   333.204  128.191 3.5458 128.219 3.5455 -0.2873230E-01 5.014268  
1 1 1 1  15 11 o 65.192  1.4899 1559.15   71.191  1508.16   97.424   1617.56   104.284  64.086  2.0740 66.366  2.1439 -2.279129      2.982911  
1 1 1 1  15 12 o 14.783  0.7081 80.108    7.6727  82.520    10.904   77.743    10.798   14.969  0.9996 14.525  1.0207 0.4432755      1.428672  
1 1 1 1  15 13 o 102.274 2.0013 3841.10   150.027 3713.89   205.179  3987.26   219.929  100.472 2.7862 104.090 2.8827 -3.617821      4.009043  
1 1 1 1  15 14 o 130.323 2.5490 6246.46   243.481 6424.47   353.405  6085.61   335.928  131.920 3.6550 128.415 3.5690 3.504578       5.108484  
1 1 1 1  15 15 o 37.461  0.7810 514.472   21.445  528.157   31.044   501.982   29.659   37.949  1.1161 36.997  1.0937 0.9517746      1.562649  
1 1 1 1  15 16 f 46.684  0.9488 799.192   32.466  827.587   47.358   774.016   44.595   47.491  1.3605 45.930  1.3247 1.561314       1.898880  
1 1 1 1  15 17 o 110.301 2.1679 4475.76   175.264 4458.90   246.454  4493.01   249.293  109.886 3.0600 110.299 3.0836 -0.4130249     4.344183  
1 1 1 1  15 18 o 35.140  0.8706 452.871   22.423  423.925   29.966   489.701   33.801   33.987  1.2029 36.526  1.2625 -2.539124      1.743827  
1 1 1 1  15 19 o 51.181  1.0390 961.227   38.977  919.285   52.786   1011.51   57.796   50.022  1.4397 52.465  1.5030 -2.443184      2.081288  
1 1 1 1  15 20 o 44.710  0.9222 733.553   30.220  711.440   41.560   758.363   44.022   44.003  1.2886 45.428  1.3221 -1.424858      1.846179  
1 1 1 1  15 21 o 52.558  1.0655 1014.64   41.047  1001.29   57.341   1028.67   58.786   52.154  1.5000 52.859  1.5173 -0.7054520     2.133598  
1 1 1 1  15 22 o 78.570  1.5634 2275.23   90.033  2383.42   133.047  2183.84   122.285  80.168  2.2642 76.774  2.1731 3.394180       3.138312  
1 1 1 1  15 23 o 2.9493  1.1712 1.6539    3.7807  3.6230    5.3224   -0.3517   5.3713   3.7312  1.4146 3.0900  1.3250 0.6412587      1.938245  
1 1 1 1  15 24 o 17.587  0.6168 113.484   7.9506  109.940   11.074   117.253   11.421   17.279  0.8773 17.867  0.8721 -0.5884800     1.237055  
1 1 1 1  15 25 o 49.926  1.1929 917.646   43.652  940.346   63.014   896.702   60.528   50.420  1.7051 49.244  1.6770 1.176510       2.391557  
1 1 1 1  15 26 o 31.898  0.7279 373.613   17.019  390.157   24.653   358.551   23.524   32.565  1.0329 31.219  1.0280 1.346329       1.457282  
1 1 1 1  15 27 o 32.077  0.7297 377.982   17.156  366.360   23.627   390.940   24.950   31.544  1.0219 32.581  1.0448 -1.037554      1.461471  
1 1 1 1  15 28 o 46.655  0.9791 801.816   33.480  791.274   46.643   813.019   48.085   46.231  1.3765 46.854  1.4002 -0.6227188     1.963465  
1 1 1 1  15 29 f 8.9650  0.7846 29.784    5.1035  25.176    7.0313   34.914    7.4193   8.1672  1.2113 9.6714  1.0642 -1.504202      1.612384  
1 1 1 1  16 0  f 67.707  1.9013 1685.22   94.184  1619.17   104.566  1969.20   216.813  66.333  2.1558 72.839  4.0906 -0.000000      0.000000  
1 1 1 1  16 1  f 142.850 3.9458 7525.81   413.138 7538.37   477.882  7488.65   821.997  142.817 4.5652 140.920 7.9911 1.897430       9.203236  
1 1 1 1  16 2  o 108.559 2.9970 4335.03   238.471 4330.75   337.160  4339.32   337.339  108.304 4.2473 108.411 4.2453 -0.1074753     6.005170  
1 1 1 1  16 3  o 82.304  2.2789 2488.01   137.476 2519.94   196.754  2457.56   192.169  82.737  3.2444 81.711  3.2087 1.026535       4.563106  
1 1 1 1  16 4  o 82.769  2.2931 2516.42   139.113 2498.02   195.596  2535.25   197.897  82.372  3.2397 82.982  3.2537 -0.6100464     4.591497  
1 1 1 1  16 5  o 238.213 9.6210 21664.43  1679.82 21700.86  2379.63  21628.25  2371.65  232.944 14.002 232.588 13.977 0.3556213      19.78408  
1 1 1 1  16 6  o 21.106  0.7081 163.284   10.953  154.049   14.966   173.938   16.074   20.498  0.9961 21.781  1.0069 -1.282902      1.416357  
1 1 1 1  16 7  o 98.323  2.7216 3555.29   196.135 3512.79   274.214  3599.81   280.651  97.566  3.8345 98.759  3.8771 -1.193443      5.453032  
1 1 1 1  16 8  o 143.197 2.7944 7543.07   293.293 7471.11   474.678  7587.51   373.017  142.071 4.5584 143.454 3.5476 -1.382813      5.776196  
1 1 1 1  16 9  o 131.568 2.5667 6364.39   247.514 6411.60   406.975  6336.68   311.810  131.695 4.2162 131.155 3.2436 0.5397949      5.319472  
1 1 1 1  16 10 o 166.581 3.2513 10223.66  396.977 10196.94  559.843  10250.67  562.992  165.923 4.6034 166.354 4.6173 -0.4312744     6.520023  
1 1 1 1  16 11 o 71.811  1.4124 1891.84   74.342  1906.95   105.874  1877.14   104.412  72.059  2.0046 71.495  1.9925 0.5645905      2.826349  
1 1 1 1  16 12 o 96.151  3.0907 3406.08   217.817 3468.24   383.507  3376.49   264.645  96.341  5.4534 95.607  3.7765 0.7338791      6.633351  
1 1 1 1  16 13 o 58.574  1.1670 1258.39   50.102  1205.84   68.027   1320.69   74.068   57.316  1.6193 59.980  1.6848 -2.663506      2.336796  
1 1 1 1  16 14 o 20.877  0.5209 159.753   7.9710  161.728   11.362   157.840   11.185   21.003  0.7381 20.749  0.7355 0.2539387      1.041942  
1 1 1 1  16 15 o 95.494  1.8763 3350.77   131.328 3351.51   185.428  3350.03   186.024  95.379  2.6524 95.356  2.6616 0.2278900E-01  3.757557  
1 1 1 1  16 16 o 96.600  1.8986 3430.99   134.427 3414.26   189.071  3448.08   191.163  96.210  2.6812 96.681  2.6976 -0.4714584     3.803402  
1 1 1 1  16 17 o 61.669  1.2297 1395.95   55.585  1452.31   81.579   1347.10   75.942   62.848  1.7709 60.536  1.7115 2.312618       2.462849  
1 1 1 1  16 18 o 10.003  0.6212 36.832    4.5318  25.920    5.9328   52.116    7.0218   8.3464  0.9890 11.892  0.8104 -3.546038      1.278649  
1 1 1 1  16 19 o 61.117  1.4167 1373.48   63.462  1308.52   85.629   1452.64   94.526   59.563  1.9614 62.738  2.0556 -3.174728      2.841221  
1 1 1 1  16 20 o 27.892  0.6395 285.346   13.073  294.576   18.923   276.919   18.081   28.327  0.9114 27.465  0.8982 0.8613663      1.279610  
1 1 1 1  16 21 o 33.019  0.7234 400.070   17.507  392.689   24.384   407.923   25.152   32.693  1.0176 33.320  1.0299 -0.6270866     1.447798  
1 1 1 1  16 22 o 22.308  0.5800 182.549   9.4836  184.783   13.427   180.325   13.396   22.433  0.8166 22.161  0.8247 0.2726479      1.160637  
1 1 1 1  16 23 o 34.349  0.7549 433.158   19.005  450.247   27.710   417.979   26.116   34.988  1.0805 33.714  1.0569 1.274479       1.511439  
1 1 1 1  16 24 o 7.8235  1.3907 23.242    7.6826  42.563    12.141   10.339    9.9216   10.614  1.6113 5.5993  1.9597 5.014347       2.537079  
1 1 1 1  16 25 f 26.540  0.7579 258.694   14.742  267.683   21.232   250.325   20.486   26.968  1.0741 26.079  1.0717 0.8888149      1.517341  
1 1 1 1  16 26 o 18.964  0.5832 131.994   8.1057  143.896   11.827   121.451   11.131   19.786  0.8155 18.176  0.8355 1.609812       1.167546  
1 1 1 1  16 27 o 18.846  0.5835 130.405   8.0605  126.605   11.162   134.545   11.652   18.552  0.8208 19.124  0.8313 -0.5719852     1.168254  
1 1 1 1  16 28 o 31.241  0.7213 358.838   16.516  365.368   23.653   352.626   23.071   31.472  1.0254 30.920  1.0180 0.5522327      1.444870  
1 1 1 1  17 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  17 1  o 105.926 2.9267 4129.51   227.225 4069.83   258.646  4331.35   475.649  105.087 3.3580 107.576 6.0570 -2.489319      6.925566  
1 1 1 1  17 2  o 47.333  1.3276 821.775   46.059  799.448   63.520   846.530   66.886   46.665  1.8571 48.018  1.9004 -1.352509      2.657140  
1 1 1 1  17 3  o 14.514  0.5642 77.217    6.0018  75.587    8.5713   78.784    8.4066   14.336  0.8191 14.639  0.7864 -0.3029842     1.135511  
1 1 1 1  17 4  o 20.549  0.6775 154.783   10.204  154.254   14.508   155.300   14.354   20.511  0.9650 20.581  0.9515 -0.6951332E-01 1.355238  
1 1 1 1  17 5  o 48.082  1.9243 848.862   67.815  821.652   93.073   879.657   99.014   47.185  2.7024 48.817  2.7787 -1.632744      3.876090  
1 1 1 1  17 6  o 102.393 2.8347 3858.39   212.748 3900.40   304.069  3818.11   297.772  102.729 4.0383 101.648 3.9967 1.080719       5.681688  
1 1 1 1  17 7  o 100.300 2.7783 3701.92   204.253 3614.63   282.229  3797.92   295.975  98.917  3.8927 101.375 3.9833 -2.457993      5.569544  
1 1 1 1  17 8  o 66.925  1.6740 1643.94   82.118  1653.55   106.748  1630.03   128.525  67.086  2.1709 66.567  2.6342 0.5186310      3.413488  
1 1 1 1  17 9  o 74.921  1.4715 2059.60   80.804  2018.77   129.500  2085.63   103.403  74.102  2.3843 75.365  1.8719 -1.262794      3.031310  
1 1 1 1  17 10 o 34.115  0.7062 426.656   17.658  429.028   29.142   425.280   22.196   34.201  1.1625 34.057  0.8892 0.1441269      1.463583  
1 1 1 1  17 11 o 95.716  2.1634 3367.47   151.778 3331.47   212.212  3405.17   217.166  95.066  3.0455 96.105  3.0829 -1.038956      4.333563  
1 1 1 1  17 12 o 68.020  1.5519 1698.33   77.370  1683.84   108.490  1713.33   110.370  67.676  2.1871 68.264  2.2059 -0.5881882     3.106348  
1 1 1 1  17 13 o 91.032  1.7857 3044.15   119.149 2990.16   165.611  3102.08   171.551  90.118  2.5073 91.781  2.5501 -1.663643      3.576215  
1 1 1 1  17 14 o 59.269  1.1795 1288.90   51.240  1257.48   70.768   1323.53   74.289   58.508  1.6502 60.022  1.6886 -1.513512      2.361057  
1 1 1 1  17 15 o 7.5593  0.6347 21.098    3.4842  20.592    4.7682   21.678    5.1038   7.4397  0.8922 7.6311  0.9318 -0.1913867     1.290089  
1 1 1 1  17 16 o 49.510  0.9992 899.383   36.258  902.406   51.418   896.392   51.136   49.564  1.4154 49.398  1.4123 0.1651993      1.999489  
1 1 1 1  17 17 o 27.266  0.6169 272.599   12.329  261.452   16.848   285.450   18.090   26.695  0.8610 27.893  0.8849 -1.197399      1.234656  
1 1 1 1  17 18 o 19.702  0.7040 142.388   10.166  148.440   14.710   136.855   14.066   20.107  0.9981 19.281  0.9987 0.8262997      1.411993  
1 1 1 1  17 19 o 33.209  1.0410 405.159   25.338  408.210   36.037   402.175   35.634   33.292  1.4768 33.046  1.4712 0.2463951      2.084541  
1 1 1 1  17 20 o 39.902  0.8392 584.581   24.545  621.968   36.525   553.797   33.143   41.118  1.2119 38.805  1.1653 2.313156       1.681273  
1 1 1 1  17 21 o 11.424  0.6273 48.028    5.2328  46.094    6.8974   50.651    8.0321   11.171  0.8488 11.703  0.9445 -0.5319147     1.269795  
1 1 1 1  17 22 o 40.017  0.8480 588.234   24.873  566.725   34.028   612.910   36.447   39.235  1.1832 40.797  1.2188 -1.561825      1.698723  
1 1 1 1  17 23 o 38.236  0.8189 537.058   22.950  559.497   33.503   517.219   31.503   38.978  1.1727 37.480  1.1467 1.497612       1.640173  
1 1 1 1  17 24 f 34.811  0.8795 445.450   22.440  454.322   32.134   437.005   31.350   35.103  1.2489 34.429  1.2423 0.6744270      1.761608  
1 1 1 1  17 25 o 10.289  0.8129 39.156    6.0806  26.599    7.9789   56.553    9.3914   8.3827  1.3440 12.348  1.0476 -3.965143      1.704045  
1 1 1 1  17 26 o 11.643  0.6349 49.943    5.3980  53.699    7.6893   46.293    7.5797   12.047  0.8768 11.173  0.9341 0.8740616      1.281165  
1 1 1 1  17 27 o 15.276  0.5940 85.711    6.6512  89.133    9.4349   82.330    9.3778   15.539  0.8314 14.928  0.8607 0.6106119      1.196693  
1 1 1 1  18 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  18 1  f 8.9940  0.4468 29.649    2.9455  27.843    3.4437   34.572    5.6856   8.6986  0.5428 9.6771  0.8090 -0.9785185     0.9742426 
1 1 1 1  18 2  o 97.535  2.6974 3500.72   192.833 3503.80   222.938  3491.56   384.250  97.511  3.1193 96.655  5.4461 0.8562012      6.276114  
1 1 1 1  18 3  o 23.628  0.7305 204.657   12.651  214.524   18.751   196.414   17.139   24.187  1.0577 23.144  1.0104 1.042803       1.462732  
1 1 1 1  18 4  o 53.879  1.5093 1065.24   59.604  1062.26   84.212   1068.24   84.375   53.768  2.1368 53.919  2.1350 -0.1511078     3.020614  
1 1 1 1  18 5  o 27.488  1.1931 277.133   24.038  263.367   32.639   293.451   35.536   26.734  1.6742 28.220  1.7263 -1.486668      2.404764  
1 1 1 1  18 6  o 66.638  1.8635 1630.79   91.022  1726.51   135.704  1552.50   122.721  68.488  2.7033 64.958  2.5775 3.530128       3.735192  
1 1 1 1  18 7  o 81.878  2.2779 2464.76   136.705 2559.66   200.240  2381.91   187.089  83.298  3.2797 80.370  3.1759 2.927887       4.565437  
1 1 1 1  18 8  o 73.637  2.0543 1992.66   110.877 1983.56   156.013  2001.94   157.607  73.370  2.9011 73.707  2.9173 -0.3367996     4.114279  
1 1 1 1  18 9  o 88.216  1.7259 2857.75   111.593 2833.76   180.928  2872.48   141.772  87.698  2.8147 88.389  2.1883 -0.6907196     3.565300  
1 1 1 1  18 10 o 39.779  0.8080 580.166   23.557  569.541   38.005   586.795   30.020   39.397  1.3161 40.000  1.0239 -0.6020775     1.667505  
1 1 1 1  18 11 o 70.874  1.6092 1844.57   83.595  1794.78   141.094  1871.50   103.768  69.774  2.7589 71.352  1.9842 -1.577423      3.398293  
1 1 1 1  18 12 o 93.677  1.8358 3225.57   126.051 3117.72   172.343  3349.62   184.839  91.970  2.5566 95.310  2.6459 -3.339630      3.679291  
1 1 1 1  18 13 o 62.865  1.7738 1453.03   81.732  1480.54   117.703  1427.41   113.579  63.352  2.5348 62.211  2.4908 1.140095       3.553834  
1 1 1 1  18 14 o 23.762  0.5600 207.005   9.7527  195.517   13.227   220.692   14.437   23.089  0.7816 24.531  0.8030 -1.441063      1.120531  
1 1 1 1  18 15 o 78.732  1.5522 2279.24   89.575  2262.29   125.717  2296.72   127.662  78.311  2.1902 78.901  2.2075 -0.5896378     3.109701  
1 1 1 1  18 16 o 31.344  0.6788 360.321   15.595  362.365   22.157   358.313   21.955   31.420  0.9621 31.244  0.9587 0.1760120      1.358196  
1 1 1 1  18 17 o 25.506  0.8723 238.791   16.308  242.390   23.319   235.345   22.816   25.677  1.2390 25.302  1.2303 0.3753014      1.746098  
1 1 1 1  18 18 o 30.427  0.7717 339.785   17.210  330.159   23.713   350.500   25.018   29.971  1.0795 30.878  1.1054 -0.9072189     1.545030  
1 1 1 1  18 19 o 23.267  0.6720 198.649   11.460  193.669   15.986   203.913   16.436   22.959  0.9500 23.558  0.9519 -0.5992661     1.344809  
1 1 1 1  18 20 o 27.484  0.6386 277.190   12.863  285.762   18.494   269.156   17.903   27.887  0.9048 27.065  0.9025 0.8222313      1.277958  
1 1 1 1  18 21 f 21.560  0.5615 170.547   8.8730  175.635   12.726   165.732   12.378   21.868  0.7940 21.242  0.7950 0.6254845      1.123567  
1 1 1 1  18 22 o 6.9138  0.7824 17.782    3.8949  15.410    5.4789   20.205    5.5378   6.3616  1.2194 7.3347  1.0609 -0.9731426     1.616329  
1 1 1 1  18 23 o 16.059  0.5512 94.625    6.4872  90.258    8.8804   99.622    9.4996   15.674  0.7730 16.466  0.7871 -0.7923059     1.103181  
1 1 1 1  18 24 o 26.352  0.6424 255.000   12.408  259.839   17.749   250.375   17.352   26.575  0.9112 26.087  0.9075 0.4880314      1.286023  
1 1 1 1  18 25 o 18.011  0.6676 119.196   8.8130  107.695   11.762   133.916   13.307   17.072  0.9437 19.065  0.9523 -1.992779      1.340658  
1 1 1 1  18 26 o 40.071  0.8592 591.407   25.234  608.426   36.484   575.799   34.939   40.539  1.2279 39.443  1.2085 1.095711       1.722838  
1 1 1 1  18 27 o 20.441  0.6342 153.558   9.5023  159.539   14.352   148.889   12.680   20.800  0.9414 20.104  0.8605 0.6960621      1.275369  
1 1 1 1  19 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  19 1  o 63.402  1.7598 1476.17   81.778  1509.68   96.465   1390.55   154.180  64.094  2.0534 61.264  3.4475 2.829666       4.012733  
1 1 1 1  19 2  o 59.209  1.6475 1287.11   71.498  1293.47   83.003   1268.81   140.757  59.337  1.9085 58.538  3.2940 0.7990379      3.806894  
1 1 1 1  19 3  o 26.404  0.7935 255.602   15.357  250.886   21.570   260.452   21.871   26.153  1.1252 26.647  1.1198 -0.4940376     1.587451  
1 1 1 1  19 4  o 58.128  1.6243 1240.57   69.203  1285.93   101.325  1200.92   94.742   59.124  2.3382 57.143  2.2620 1.980797       3.253269  
1 1 1 1  19 5  o 82.402  3.2483 2507.23   196.187 2405.84   266.482  2627.23   289.895  80.307  4.5459 83.870  4.7351 -3.562851      6.564029  
1 1 1 1  19 6  o 75.632  2.1034 2103.16   116.604 2126.77   166.764  2080.56   163.102  75.930  2.9965 75.106  2.9628 0.8240356      4.213909  
1 1 1 1  19 7  o 69.011  1.9254 1750.27   97.389  1779.49   140.005  1722.88   135.559  69.483  2.7491 68.375  2.7049 1.107994       3.856646  
1 1 1 1  19 8  o 75.560  2.1157 2099.84   117.171 1976.73   155.722  2260.50   177.892  73.196  2.9026 78.237  3.1022 -5.040459      4.248342  
1 1 1 1  19 9  f 29.604  0.9117 321.412   19.783  325.892   28.365   317.168   27.605   29.798  1.2987 29.397  1.2811 0.4009380      1.824261  
1 1 1 1  19 10 o 41.331  0.8355 626.471   25.311  598.683   39.841   645.276   32.775   40.383  1.3460 41.938  1.0662 -1.555580      1.717160  
1 1 1 1  19 11 o 17.064  0.4909 106.736   6.1397  110.333   11.196   105.189   7.3420   17.321  0.8848 16.939  0.5914 0.3825111      1.064269  
1 1 1 1  19 12 o 26.598  0.5872 259.373   11.448  253.816   18.707   262.700   14.475   26.302  0.9704 26.765  0.7379 -0.4628677     1.219062  
1 1 1 1  19 13 o 43.584  1.2686 697.698   40.524  670.333   55.341   729.337   59.505   42.675  1.7692 44.508  1.8241 -1.832489      2.541143  
1 1 1 1  19 14 o 18.184  0.5866 121.245   7.8184  122.621   11.022   119.852   11.092   18.281  0.8226 18.073  0.8373 0.2079773      1.173756  
1 1 1 1  19 15 o 36.944  0.7707 500.797   20.870  488.654   28.844   514.139   30.233   36.472  1.0790 37.409  1.1026 -0.9370422     1.542708  
1 1 1 1  19 16 o 51.183  1.0325 962.581   38.736  936.273   53.333   991.957   56.355   50.417  1.4432 51.887  1.4818 -1.470501      2.068495  
1 1 1 1  19 17 o 21.937  0.5560 176.510   8.9403  200.456   13.561   158.101   11.890   23.367  0.7918 20.752  0.7817 2.614527       1.112643  
1 1 1 1  19 18 o 24.683  0.5846 223.519   10.575  222.508   14.876   224.552   15.037   24.613  0.8246 24.726  0.8297 -0.1124477     1.169773  
1 1 1 1  19 19 o 24.073  0.5842 212.626   10.308  207.083   14.273   218.670   14.904   23.743  0.8202 24.397  0.8334 -0.6542664     1.169305  
1 1 1 1  19 20 o 15.534  0.6328 88.563    7.2053  79.346    9.7822   99.495    10.653   14.663  0.9148 16.429  0.8880 -1.765795      1.274876  
1 1 1 1  19 21 o 19.218  0.5411 135.511   7.6219  130.298   10.497   141.324   11.085   18.833  0.7605 19.614  0.7711 -0.7800102     1.082964  
1 1 1 1  19 22 o 4.9637  1.0686 9.4225    3.7726  8.2958    5.2552   10.621    5.4192   4.7128  1.4110 5.2662  1.3853 -0.5534253     1.977374  
1 1 1 1  19 23 o 27.032  0.8774 268.848   17.384  262.022   23.974   276.417   25.244   26.636  1.2280 27.353  1.2592 -0.7164707     1.758803  
1 1 1 1  19 24 o 32.447  0.7284 387.120   17.323  372.557   23.712   403.790   25.369   31.780  1.0180 33.080  1.0463 -1.299271      1.459790  
1 1 1 1  19 25 o 28.869  0.6825 306.451   14.442  305.793   20.414   307.111   20.433   28.789  0.9674 28.851  0.9663 -0.6220055E-01 1.367316  
1 1 1 1  19 26 o 13.918  0.7513 71.494    7.6355  83.990    11.220   60.713    10.421   15.046  1.0234 12.763  1.1255 2.283259       1.521233  
1 1 1 1  20 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  20 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  20 2  o 76.326  2.1146 2142.91   118.302 2150.71   137.132  2120.19   233.917  76.417  2.4483 75.385  4.2508 1.032310       4.905464  
1 1 1 1  20 3  o 66.907  1.8614 1645.36   91.282  1649.65   105.779  1632.87   180.658  66.961  2.1552 66.260  3.7350 0.7008362      4.312264  
1 1 1 1  20 4  o 40.760  1.1608 609.563   34.680  604.853   48.800   614.368   49.294   40.578  1.6408 40.896  1.6445 -0.3176956     2.323044  
1 1 1 1  20 5  o 45.950  1.8472 776.177   62.213  744.231   84.685   813.633   91.698   44.854  2.5868 46.890  2.6792 -2.036076      3.724204  
1 1 1 1  20 6  o 53.143  1.5003 1037.25   58.441  1034.21   82.557   1040.30   82.739   53.007  2.1249 53.163  2.1233 -0.1560974     3.003934  
1 1 1 1  20 7  o 105.850 2.9430 4142.81   228.328 4140.71   322.773  4144.91   323.036  105.349 4.1801 105.402 4.1814 -0.5278778E-01 5.912483  
1 1 1 1  20 8  o 55.879  1.5750 1147.54   64.507  1141.76   90.899   1153.40   91.558   55.660  2.2281 55.942  2.2329 -0.2823334     3.154443  
1 1 1 1  20 9  o 27.679  0.8720 281.034   17.691  272.679   24.575   290.021   25.488   27.252  1.2303 28.105  1.2373 -0.8529034     1.744883  
1 1 1 1  20 10 o 11.238  0.7508 46.523    6.1490  56.057    9.3422   39.236    8.1676   12.315  1.0449 10.280  1.1011 2.034525       1.517949  
1 1 1 1  20 11 o 53.011  1.4798 1033.28   57.499  1028.43   114.378  1034.92   66.514   52.539  2.9824 53.023  1.7115 -0.4836884     3.438612  
1 1 1 1  20 12 o 41.076  0.8382 619.130   25.236  672.619   44.497   593.766   30.641   42.764  1.4196 40.213  1.0396 2.551258       1.759565  
1 1 1 1  20 13 o 41.051  0.8366 618.479   25.171  626.260   41.807   614.055   31.526   41.256  1.3826 40.886  1.0520 0.3696709      1.737284  
1 1 1 1  20 14 o 34.242  0.8361 430.455   20.985  425.817   29.397   435.273   29.966   34.029  1.1786 34.403  1.1883 -0.3747749     1.673713  
1 1 1 1  20 15 o 45.759  0.9288 769.294   31.151  773.349   44.218   765.300   43.891   45.823  1.3166 45.584  1.3137 0.2385750      1.859844  
1 1 1 1  20 16 o 11.384  0.5121 47.536    4.2730  53.453    6.1056   41.856    5.9821   12.048  0.6944 10.649  0.7716 1.398869       1.038056  
1 1 1 1  20 17 o 21.315  0.6046 166.731   9.4463  172.688   13.543   161.087   13.182   21.678  0.8524 20.937  0.8590 0.7412663      1.210106  
1 1 1 1  20 18 o 28.255  0.6403 293.044   13.262  283.602   18.224   303.673   19.334   27.775  0.8952 28.739  0.9179 -0.9637947     1.282113  
1 1 1 1  20 19 o 33.108  0.7157 402.574   17.369  409.551   24.915   395.979   24.226   33.358  1.0190 32.802  1.0076 0.5558167      1.433084  
1 1 1 1  20 20 o 17.112  0.6089 107.487   7.6369  94.306    10.049   125.510   11.751   15.992  0.8604 18.475  0.8677 -2.482893      1.222004  
1 1 1 1  20 21 o 9.5293  0.6145 33.479    4.2691  36.098    6.0500   30.881    6.0250   9.8717  0.8443 9.1157  0.9141 0.7559614      1.244307  
1 1 1 1  20 22 o 38.238  0.8152 537.854   22.847  550.683   32.991   526.031   31.670   38.616  1.1656 37.746  1.1447 0.8691139      1.633720  
1 1 1 1  20 23 o 28.408  0.8358 297.183   17.404  320.549   28.218   282.839   22.110   29.402  1.3094 27.668  1.0903 1.734095       1.703885  
1 1 1 1  20 24 o 12.407  0.5972 56.573    5.4314  56.085    7.6966   57.057    7.6657   12.306  0.8587 12.415  0.8475 -0.1083651     1.206473  
1 1 1 1  20 25 o 5.5189  1.1103 11.668    4.3356  12.751    6.0930   10.557    6.1707   5.7405  1.4482 5.2599  1.5169 0.4805975      2.097238  
1 1 1 1  21 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  21 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  21 2  o 48.678  1.3618 870.264   48.588  854.721   55.143   924.230   102.749  48.225  1.5601 49.909  2.8203 -1.684605      3.223038  
1 1 1 1  21 3  o 14.772  0.5456 80.000    5.9077  76.474    6.7903   90.980    11.982   14.442  0.6415 15.711  1.0465 -1.269035      1.227491  
1 1 1 1  21 4  o 35.611  1.0259 465.357   26.778  466.546   38.139   464.202   37.606   35.632  1.4603 35.543  1.4435 0.8853912E-01  2.053353  
1 1 1 1  21 5  o 71.583  2.8354 1897.61   148.764 1879.12   208.544  1916.76   212.273  70.748  4.0384 71.442  4.0707 -0.6936722     5.734001  
1 1 1 1  21 6  o 32.798  0.9680 394.736   23.270  395.319   33.102   394.167   32.719   32.800  1.3769 32.753  1.3629 0.4694366E-01  1.937336  
1 1 1 1  21 7  o 34.312  1.0133 432.106   25.483  418.641   35.145   447.033   37.004   33.748  1.4208 34.872  1.4477 -1.123646      2.028436  
1 1 1 1  21 8  o 40.076  1.1598 589.863   34.068  591.020   48.374   588.724   47.987   40.071  1.6470 39.995  1.6370 0.7684708E-01  2.322150  
1 1 1 1  21 9  o 14.034  0.6818 72.243    7.0133  68.592    9.8758   75.957    9.9613   13.633  0.9952 14.353  0.9522 -0.7209206     1.377413  
1 1 1 1  21 10 o 29.332  0.9136 315.843   19.642  308.531   27.323   323.664   28.257   28.966  1.2869 29.667  1.2995 -0.7009277     1.828868  
1 1 1 1  21 11 o 16.664  1.1217 102.525   13.620  86.816    18.149   122.784   20.609   15.256  1.6493 18.186  1.5612 -2.930861      2.271051  
1 1 1 1  21 12 o 26.936  0.6264 266.174   12.367  274.922   19.620   260.407   15.930   27.354  0.9786 26.633  0.8161 0.7215137      1.274204  
1 1 1 1  21 13 o 26.442  0.5816 256.502   11.272  251.604   18.390   259.449   14.266   26.165  0.9589 26.585  0.7321 -0.4204655     1.206462  
1 1 1 1  21 14 o 22.483  0.5249 185.419   8.6505  187.821   14.493   184.090   10.782   22.610  0.8745 22.396  0.6568 0.2132664      1.093707  
1 1 1 1  21 15 o 17.668  0.6612 114.587   8.5624  124.671   14.780   109.493   10.505   18.369  1.1029 17.262  0.8303 1.106615       1.380444  
1 1 1 1  21 16 o 3.3776  1.0667 4.1341    2.9543  5.9345    3.9305   1.7959    4.4791   4.0084  1.2248 3.1748  1.2702 0.8336151      1.764537  
1 1 1 1  21 17 o 18.571  0.6623 126.635   9.0147  124.791   12.322   128.760   13.224   18.420  0.9126 18.681  0.9691 -0.2615528     1.331161  
1 1 1 1  21 18 o 18.870  0.5246 130.657   7.2554  132.294   10.215   128.992   10.307   18.976  0.7344 18.737  0.7505 0.2393360      1.050076  
1 1 1 1  21 19 o 16.446  0.5294 99.257    6.3819  105.789   9.1754   93.136    8.8825   16.968  0.7378 15.919  0.7613 1.048390       1.060111  
1 1 1 1  21 20 o 14.267  0.5344 74.717    5.5884  78.094    7.9477   71.414    7.8593   14.556  0.7474 13.915  0.7736 0.6411591      1.075708  
1 1 1 1  21 21 o 28.009  0.7643 288.593   15.691  296.890   22.571   280.833   21.828   28.355  1.0860 27.579  1.0798 0.7762375      1.531502  
1 1 1 1  21 22 o 18.161  0.5504 121.145   7.3267  125.530   10.496   116.978   10.232   18.465  0.7755 17.825  0.7832 0.6409111      1.102178  
1 1 1 1  21 23 o 25.181  0.6269 233.157   11.571  245.967   16.847   221.721   15.919   25.820  0.8902 24.515  0.8859 1.304798       1.255906  
1 1 1 1  21 24 o 15.792  0.5678 91.654    6.5728  94.638    9.3814   88.778    9.2117   16.026  0.7987 15.499  0.8137 0.5266638      1.140194  
1 1 1 1  22 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  22 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  22 2  o 43.951  1.7505 711.597   56.391  711.597   56.391   0.0000    0.0000   43.951  1.7505 ?       ?      0.000000       1.750508  
1 1 1 1  22 3  o 81.828  2.2789 2476.04   136.683 2461.51   157.007  2521.54   277.774  81.467  2.6294 81.294  4.6816 0.1729889      5.369456  
1 1 1 1  22 4  o 43.644  1.2413 700.035   39.709  724.081   47.387   643.341   72.762   44.364  1.4573 41.614  2.3957 2.749748       2.804087  
1 1 1 1  22 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  22 6  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  22 7  o 79.709  3.1960 2382.15   186.722 2445.23   270.972  2325.11   257.660  79.635  4.6627 77.747  4.5412 1.887657       6.508716  
1 1 1 1  22 8  f 42.831  1.2350 674.878   38.770  672.532   54.750   677.238   54.910   42.675  1.7504 42.824  1.7494 -0.1492424     2.474689  
1 1 1 1  22 9  o 24.577  0.8031 221.765   14.467  225.366   20.856   218.426   20.084   24.753  1.1495 24.371  1.1243 0.3821678      1.607972  
1 1 1 1  22 10 o 43.223  1.2541 688.023   39.731  683.840   55.967   692.272   56.411   42.986  1.7763 43.250  1.7795 -0.2634506     2.514333  
1 1 1 1  22 11 o 10.915  1.3107 44.541    10.277  38.821    13.912   51.409    15.246   10.059  1.9573 11.637  1.8492 -1.577913      2.692707  
1 1 1 1  22 12 o 17.728  0.7393 115.408   9.6068  108.089   13.373   123.212   13.809   17.105  1.0721 18.271  1.0354 -1.166363      1.490489  
1 1 1 1  22 13 o 14.283  0.5013 74.837    5.2481  72.084    5.8884   85.472    11.572   14.015  0.5732 15.202  1.0449 -1.186700      1.191846  
1 1 1 1  22 14 o 31.873  0.6730 373.029   15.722  378.777   26.406   369.872   19.569   32.061  1.1237 31.720  0.8417 0.3408737      1.403980  
1 1 1 1  22 15 o 10.796  0.4432 42.751    3.5073  41.482    5.7367   43.508    4.4321   10.600  0.7431 10.874  0.5580 -0.2738476     0.9292493 
1 1 1 1  22 16 o 51.202  1.2037 967.565   45.173  1041.72   84.423   937.816   53.472   52.706  2.1853 50.330  1.4495 2.376495       2.622368  
1 1 1 1  22 17 o 43.210  1.0240 687.964   32.431  667.681   44.594   710.735   47.248   42.459  1.4329 43.794  1.4720 -1.334866      2.054265  
1 1 1 1  22 18 o 13.324  0.4983 65.153    4.8665  65.205    6.7301   65.096    7.0453   13.303  0.6926 13.288  0.7261 0.1465034E-01  1.003462  
1 1 1 1  22 19 o 36.663  0.7803 494.489   20.967  481.646   28.875   508.813   30.495   36.119  1.0907 37.116  1.1210 -0.9969635     1.564060  
1 1 1 1  22 20 o 5.8765  0.9071 13.026    3.7814  11.223    5.0772   15.272    5.6666   5.3937  1.2996 6.3079  1.2696 -0.9141707     1.816825  
1 1 1 1  22 21 f 6.8028  0.9902 17.451    4.7923  14.117    6.5794   21.218    6.9942   6.0322  1.4955 7.4455  1.3305 -1.413289      2.001679  
1 1 1 1  22 22 f 12.739  0.6178 59.688    5.7682  50.426    7.7206   71.389    8.6782   11.650  0.9114 13.883  0.8570 -2.233295      1.251078  
1 1 1 1  23 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  23 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  23 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  23 3  o 36.152  1.0292 480.385   27.272  473.623   31.110   502.833   56.683   35.879  1.1830 36.755  2.1129 -0.8754539     2.421550  
1 1 1 1  23 4  o 61.621  1.7277 1403.63   78.034  1394.36   89.617   1432.68   158.693  61.330  1.9936 61.326  3.5456 0.4882813E-02  4.067646  
1 1 1 1  23 5  o 13.139  1.0435 63.875    9.9667  0.0000    0.0000   63.875    9.9667   ?       ?      13.139  1.0435 0.000000       1.043501  
1 1 1 1  23 6  o 28.724  0.8684 303.109   18.282  297.459   25.638   308.955   26.079   28.419  1.2308 28.964  1.2284 -0.5441952     1.738936  
1 1 1 1  23 7  o 9.4520  0.7162 32.988    4.9253  36.928    7.4528   29.934    6.5626   9.9662  1.0354 8.9644  1.0168 1.001802       1.451145  
1 1 1 1  23 8  o 27.632  0.8602 280.589   17.422  285.050   25.155   276.477   24.152   27.810  1.2341 27.392  1.2029 0.4174976      1.723368  
1 1 1 1  23 9  o 39.207  1.1455 566.243   32.920  579.406   47.699   554.271   45.490   39.554  1.6453 38.696  1.6039 0.8574142      2.297687  
1 1 1 1  23 10 o 22.747  0.7806 190.111   13.015  197.508   19.043   183.630   17.827   23.153  1.1222 22.328  1.0893 0.8247929      1.563932  
1 1 1 1  23 11 o 14.653  1.1438 79.636    12.188  77.633    17.238   81.637    17.234   14.369  1.6677 14.750  1.6208 -0.3806448     2.325553  
1 1 1 1  23 12 o 31.632  0.9835 368.393   22.803  373.665   32.715   363.410   31.801   31.781  1.4044 31.346  1.3841 0.4349289      1.971846  
1 1 1 1  23 13 o 56.182  1.6128 1171.77   66.412  1144.00   91.954   1202.05   96.020   55.165  2.2742 56.520  2.3178 -1.354877      3.247195  
1 1 1 1  23 14 o 8.9402  0.9797 29.787    6.3143  45.402    9.6405   18.055    8.3562   11.023  1.2134 6.8347  1.6799 4.187950       2.072302  
1 1 1 1  23 15 o 8.6810  0.4216 27.645    2.6826  31.448    4.9007   26.018    3.2055   9.2210  0.7311 8.4033  0.5230 0.8177147      0.8989180 
1 1 1 1  23 16 f 12.085  0.4474 53.585    3.9626  46.996    6.4365   57.607    5.0285   11.277  0.7836 12.527  0.5477 -1.249690      0.9560146 
1 1 1 1  23 17 o 19.535  0.6294 140.220   9.0116  139.247   17.072   140.596   10.610   19.364  1.2089 19.552  0.7404 -0.1877747     1.417593  
1 1 1 1  23 18 o 7.8253  0.6020 22.634    3.4265  28.414    4.7374   16.293    4.9620   8.7558  0.7453 6.5573  1.0692 2.198427       1.303349  
1 1 1 1  23 19 o 19.001  0.5212 132.633   7.2590  129.270   9.9607   136.441   10.601   18.738  0.7252 19.248  0.7514 -0.5095024     1.044304  
1 1 1 1  23 20 o 21.201  0.5586 165.217   8.6806  167.475   12.199   162.901   12.355   21.315  0.7809 21.018  0.8020 0.2964420      1.119325  
1 1 1 1  23 21 o 24.979  0.6165 229.548   11.288  236.051   16.123   223.298   15.808   25.281  0.8701 24.587  0.8772 0.6939449      1.235527  
1 1 1 1  24 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  24 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  24 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  24 3  f 34.933  0.9977 449.090   25.546  454.633   36.513   443.775   35.755   35.074  1.4203 34.655  1.4076 0.4187737      1.999692  
1 1 1 1  24 4  o 51.949  1.4626 997.917   55.691  1003.75   64.710   981.260   109.363  52.020  1.6971 50.745  2.9531 1.275177       3.406052  
1 1 1 1  24 5  o 3.9609  1.1449 5.9020    3.5115  7.7999    5.5135   4.6067    4.5547   4.6229  1.4570 3.7715  1.3273 0.8513854      1.970914  
1 1 1 1  24 6  o 38.528  1.1132 547.095   31.436  535.874   43.827   558.985   45.115   38.025  1.5725 38.833  1.5850 -0.8078308     2.232742  
1 1 1 1  24 7  o 50.437  1.4367 941.691   53.113  920.283   73.634   964.910   76.686   49.617  2.0247 50.788  2.0600 -1.171253      2.888479  
1 1 1 1  24 8  o 33.394  0.9960 410.762   24.379  410.800   34.628   410.725   34.328   33.310  1.4183 33.310  1.4060 0.1220703E-03  1.997144  
1 1 1 1  24 9  o 14.320  0.6652 75.320    6.9812  77.175    10.356   73.775    9.4516   14.442  0.9842 14.128  0.9177 0.3141232      1.345678  
1 1 1 1  24 10 o 26.706  0.8560 262.401   16.756  271.065   24.486   254.769   22.979   27.086  1.2334 26.266  1.1936 0.8200474      1.716366  
1 1 1 1  24 11 o 31.159  1.3934 359.692   31.824  341.721   43.347   380.703   46.871   30.148  1.9725 31.808  2.0209 -1.660074      2.823967  
1 1 1 1  24 12 o 27.136  0.8804 271.090   17.512  264.124   24.440   278.440   25.105   26.725  1.2477 27.440  1.2483 -0.7146225     1.764885  
1 1 1 1  24 13 o 23.736  0.8254 207.333   14.360  202.352   20.076   212.550   20.549   23.370  1.1758 23.983  1.1690 -0.6122036     1.658032  
1 1 1 1  24 14 o 17.613  0.7619 114.118   9.8358  115.060   14.172   113.242   13.662   17.616  1.1031 17.482  1.0714 0.1345367      1.537773  
1 1 1 1  24 15 o 21.916  0.8195 176.855   13.164  180.283   19.012   173.699   18.246   22.041  1.1812 21.640  1.1545 0.4013596      1.651681  
1 1 1 1  24 16 o 18.480  0.4766 125.383   6.4555  132.471   9.4568   119.198   8.8339   18.978  0.6799 18.003  0.6695 0.9748154      0.9541312 
1 1 1 1  24 17 o 24.864  0.5726 227.235   10.434  220.917   17.246   230.884   13.105   24.449  0.9624 25.042  0.7140 -0.5924950     1.198312  
1 1 1 1  24 18 o 34.526  0.7900 439.626   19.991  446.952   31.168   434.506   26.056   34.658  1.2269 34.246  1.0381 0.4125786      1.607128  
1 1 1 1  24 19 o 3.1523  1.0570 3.4658    2.8785  7.1111    4.5801   1.0859    3.7007   4.3488  1.3207 2.7949  1.1413 1.553873       1.745524  
1 1 1 1  24 20 o 14.145  0.5147 73.545    5.3369  75.672    7.5000   71.362    7.5960   14.329  0.7141 13.891  0.7488 0.4377470      1.034717  
1 1 1 1  25 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  25 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  25 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  25 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  25 4  o 25.423  0.7567 237.636   14.101  241.856   16.592   226.663   26.757   25.633  0.8832 24.672  1.4866 0.9608536      1.729123  
1 1 1 1  25 5  o 15.898  0.5709 92.802    6.6523  95.056    7.9982   87.742    11.982   16.084  0.6785 15.386  1.0692 0.6978073      1.266253  
1 1 1 1  25 6  o 21.466  0.6963 169.347   10.955  170.040   15.769   168.701   15.232   21.477  1.0017 21.396  0.9713 0.8094215E-01  1.395286  
1 1 1 1  25 7  o 26.083  0.8119 250.325   15.523  252.184   22.256   248.564   21.661   26.126  1.1622 25.942  1.1392 0.1840820      1.627443  
1 1 1 1  25 8  o 7.7158  0.8157 22.150    4.5430  21.539    6.7327   22.660    6.1555   7.5295  1.2648 7.7561  1.1148 -0.2266154     1.685989  
1 1 1 1  25 9  o 18.242  0.7015 122.340   9.3792  126.002   13.724   119.131   12.847   18.454  1.0186 17.948  0.9803 0.5053539      1.413697  
1 1 1 1  25 10 o 20.738  0.7453 158.194   11.329  164.439   16.717   152.889   15.407   21.073  1.0860 20.326  1.0376 0.7462349      1.501992  
1 1 1 1  25 11 o 21.305  1.1594 168.359   18.037  171.595   25.988   165.352   25.054   21.373  1.6722 20.988  1.6418 0.3853931      2.343445  
1 1 1 1  25 12 f 25.031  0.8460 230.818   15.521  231.915   22.177   229.765   21.730   25.023  1.2092 24.911  1.1901 0.1121826      1.696642  
1 1 1 1  25 13 o 13.340  0.7675 65.731    7.4722  70.867    11.218   61.634    10.018   13.794  1.1192 12.867  1.0720 0.9269848      1.549774  
1 1 1 1  25 14 o 31.202  0.9921 359.852   22.689  366.241   32.701   353.921   31.505   31.336  1.4238 30.815  1.3949 0.5207539      1.993182  
1 1 1 1  25 15 o 21.479  0.8193 170.201   12.898  179.282   19.000   162.440   17.566   21.934  1.1862 20.886  1.1519 1.048735       1.653501  
1 1 1 1  25 16 o 22.013  1.1360 180.572   18.266  184.887   26.672   176.760   25.067   22.072  1.6609 21.608  1.5940 0.4637833      2.302027  
1 1 1 1  25 17 o 35.495  0.7471 464.778   19.437  454.953   27.101   475.185   27.891   35.002  1.0564 35.769  1.0639 -0.7664948     1.499234  
1 1 1 1  25 18 o 15.084  0.4606 83.598    5.0923  82.999    8.8975   83.889    6.2099   14.967  0.8141 15.101  0.5611 -0.1335688     0.9887297 
1 1 1 1  26 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  26 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  26 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  26 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  26 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  26 5  o 18.714  0.6094 128.691   8.3586  127.946   9.7174   130.811   16.389   18.651  0.7108 18.759  1.1982 -0.1083584     1.393198  
1 1 1 1  26 6  o 17.949  0.9318 119.128   12.216  119.128   12.216   0.0000    0.0000   17.949  0.9318 ?       ?      0.000000       0.9317908 
1 1 1 1  26 7  o 19.191  0.6719 135.427   9.4506  126.024   13.050   145.798   13.705   18.455  0.9681 19.880  0.9405 -1.425571      1.349753  
1 1 1 1  26 8  o 30.392  0.9196 340.707   20.486  333.646   28.639   348.105   29.316   29.978  1.3034 30.620  1.3062 -0.6418648     1.845264  
1 1 1 1  26 9  o 14.585  0.6702 78.241    7.1647  83.600    10.751   73.960    9.6097   15.014  0.9824 14.126  0.9334 0.8875504      1.355108  
1 1 1 1  26 10 o 13.934  0.7167 71.656    7.2950  79.127    10.882   65.559    9.8310   14.594  1.0238 13.278  1.0179 1.315380       1.443727  
1 1 1 1  26 11 o 13.946  1.1547 72.628    11.698  67.934    16.405   77.482    16.684   13.335  1.7184 14.284  1.6223 -0.9491110     2.363252  
1 1 1 1  26 12 o 9.9065  0.8262 36.465    5.9445  43.975    8.9172   30.458    7.9752   10.824  1.1412 8.9629  1.2478 1.861101       1.690960  
1 1 1 1  26 13 o 16.727  0.7534 103.197   9.2364  105.259   13.474   101.369   12.686   16.798  1.1005 16.495  1.0548 0.3027401      1.524306  
1 1 1 1  26 14 o 15.344  0.7748 87.137    8.6857  86.891    12.585   87.361    12.003   15.238  1.1349 15.295  1.0776 -0.5677986E-01 1.564981  
1 1 1 1  26 15 o 14.187  0.8388 74.695    8.6832  69.184    12.339   80.102    12.222   13.546  1.2571 14.615  1.1502 -1.069453      1.703919  
1 1 1 1  26 16 o 7.1959  2.0393 20.611    11.248  0.0000    0.0000   20.611    11.248   ?       ?      7.1959  2.0393 0.000000       2.039347  
1 1 1 1  27 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  27 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  27 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  27 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  27 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  27 5  o 14.442  0.5057 76.623    5.3528  80.085    7.7178   73.414    7.4303   14.748  0.7140 14.101  0.7213 0.6465120      1.014920  
1 1 1 1  27 6  o 21.050  0.9328 163.750   14.393  169.173   21.061   158.998   19.714   21.257  1.3589 20.620  1.3112 0.6365986      1.888365  
1 1 1 1  27 7  f 14.049  0.5971 72.593    6.1485  72.095    7.3702   73.732    11.151   13.971  0.7222 14.060  1.0906 -0.8906651E-01 1.308006  
1 1 1 1  27 8  o 12.630  0.6362 58.862    5.8703  68.745    9.0917   51.795    7.6876   13.605  0.9171 11.805  0.8952 1.800067       1.281564  
1 1 1 1  27 9  o 19.162  0.7144 135.362   10.033  142.744   14.843   129.151   13.615   19.587  1.0376 18.638  1.0003 0.9485760      1.441234  
1 1 1 1  27 10 o 9.8388  0.7936 35.981    5.6747  46.695    8.8677   28.551    7.3846   11.153  1.0991 8.6731  1.1933 2.479570       1.622305  
1 1 1 1  27 11 o 29.446  1.3731 325.741   29.635  315.885   41.458   336.040   42.378   28.554  1.9934 29.470  1.9733 -0.9161930     2.804912  
1 1 1 1  27 12 o 19.252  0.7688 136.957   10.849  128.454   14.940   146.443   15.779   18.532  1.1049 19.796  1.0917 -1.263859      1.553235  
1 1 1 1  27 13 o 28.189  0.9291 294.936   19.197  290.717   26.810   299.374   27.499   27.810  1.3153 28.214  1.3298 -0.4031658     1.870351  
1 1 1 1  27 14 o 33.833  1.0543 426.320   26.145  428.686   37.375   424.051   36.587   33.640  1.5158 33.475  1.4912 0.1647835      2.126311  
1 1 1 1  28 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  28 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  28 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  28 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  28 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  28 5  f 5.7156  0.8246 12.325    3.3544  12.325    3.3544   0.0000    0.0000   5.7156  0.8246 ?       ?      0.000000       0.8245548 
1 1 1 1  28 6  o 1.9189  0.8385 -0.4709   2.2344  0.9423    2.8167   -2.8700   3.6700   2.4647  0.9998 2.1570  0.9954 0.3076828      1.410820  
1 1 1 1  28 7  o 15.172  0.7098 84.988    7.8933  84.988    7.8933   0.0000    0.0000   15.172  0.7098 ?       ?      0.000000       0.7097906 
1 1 1 1  28 8  o 20.110  0.6866 149.277   10.121  150.320   11.989   146.689   18.881   20.152  0.8117 19.708  1.3146 0.4433899      1.544982  
1 1 1 1  28 9  o 23.194  0.7714 199.017   13.114  209.753   19.524   190.193   17.701   23.687  1.1246 22.577  1.0697 1.110327       1.552050  
1 1 1 1  28 10 o 19.982  0.7423 147.653   10.871  140.064   15.062   155.907   15.707   19.342  1.0665 20.415  1.0533 -1.072840      1.498974  
1 1 1 1  28 11 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  29 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  29 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  29 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  29 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  29 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  29 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 1  29 6  o 14.674  0.5090 79.287    5.4741  80.022    7.7109   78.541    7.7726   14.708  0.7153 14.569  0.7279 0.1391478      1.020484  
1 1 1 1  29 7  o 18.603  0.8612 128.533   11.743  126.171   16.531   130.939   16.683   18.263  1.2423 18.612  1.2298 -0.3490276     1.748103  
1 1 1 1  29 8  o 22.948  0.7416 194.908   12.474  188.818   14.221   215.224   25.974   22.549  0.8605 23.715  1.5021 -1.166128      1.731101  
1 1 1 2  0  0  o 201.029 7.8689 14893.12  1155.42 15664.66  1714.97  14251.84  1563.52  205.577 11.463 196.102 10.956 0.000000       0.000000  
1 1 1 2  0  1  o 26.902  0.7855 265.915   15.459  248.546   20.532   288.647   23.490   25.974  1.0828 27.993  1.1492 -0.000000      0.000000  
1 1 1 2  0  2  o 276.515 7.6802 28139.16  1553.88 30094.35  1909.37  24304.71  2673.92  285.742 9.1378 255.484 14.383 -0.000000      0.000000  
1 1 1 2  0  3  o 378.852 10.559 52910.44  2926.93 56943.17  4464.02  49869.37  3876.50  391.738 15.603 366.813 14.469 -0.000000      0.000000  
1 1 1 2  0  4  o 420.022 11.615 65111.32  3569.66 64745.88  5024.64  65483.71  5072.23  417.353 16.484 419.712 16.546 -0.000000      0.000000  
1 1 1 2  0  5  o 191.876 5.3065 13539.63  744.997 12942.55  1008.86  14255.70  1104.83  187.274 7.3758 196.530 7.6966 0.000000       0.000000  
1 1 1 2  0  6  o 138.145 3.8163 7015.71   385.750 6786.96   527.684  7278.27   565.325  135.665 5.3254 140.482 5.5096 0.000000       0.000000  
1 1 1 2  0  7  o 9.3718  0.7595 32.820    5.1385  24.884    6.4417   46.704    8.5208   7.9932  1.1736 11.138  1.0662 0.000000       0.000000  
1 1 1 2  0  8  o 227.831 6.3180 19106.12  1053.21 19991.60  1558.33  18361.53  1428.99  232.514 9.1764 222.876 8.7785 0.000000       0.000000  
1 1 1 2  0  9  o 196.541 6.2899 14219.78  904.005 15746.30  1724.34  13641.20  1061.59  205.849 11.511 192.293 7.5586 -0.000000      0.000000  
1 1 1 2  0  10 o 525.445 14.781 102023.50 5682.44 110708.90 8578.71  95233.55  7585.07  544.938 21.555 505.642 20.543 0.000000       0.000000  
1 1 1 2  0  11 f 13.903  0.7095 71.396    7.1875  77.740    12.964   68.580    8.6365   14.404  1.2496 13.596  0.8750 -0.000000      0.000000  
1 1 1 2  0  12 o 166.510 4.6769 10191.42  569.769 12192.52  949.112  9063.93   712.424  181.843 7.1460 156.808 6.2208 -0.000000      0.000000  
1 1 1 2  0  13 f 31.512  0.9569 364.945   22.055  403.298   33.857   336.671   29.070   33.083  1.4019 30.223  1.3180 0.000000       0.000000  
1 1 1 2  0  14 o 45.487  1.5144 760.851   50.363  702.606   80.943   797.641   64.331   43.556  2.5556 46.534  1.8932 0.000000       0.000000  
1 1 1 2  0  15 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  0  16 o 455.865 12.805 77331.87  4271.01 80105.45  6245.14  74894.80  5854.05  460.170 18.585 445.314 18.002 0.000000       0.000000  
1 1 1 2  0  17 o 14.476  0.7374 77.396    7.7775  62.122    10.351   97.204    11.787   12.876  1.1161 16.193  1.0019 -0.000000      0.000000  
1 1 1 2  0  18 o 24.269  0.8216 216.618   14.577  195.592   19.084   246.070   22.586   23.016  1.1376 25.827  1.1990 0.000000       0.000000  
1 1 1 2  0  19 o 78.930  2.2319 2290.24   128.889 2222.25   176.399  2368.11   188.784  77.630  3.1115 80.131  3.2262 0.000000       0.000000  
1 1 1 2  0  20 o 201.346 5.6664 14965.40  834.736 14507.10  1145.99  15483.38  1218.31  197.537 7.9442 204.021 8.1769 0.000000       0.000000  
1 1 1 2  0  21 o 82.800  2.3186 2520.64   140.466 2463.62   194.146  2583.28   203.480  81.727  3.2527 83.685  3.3293 -0.000000      0.000000  
1 1 1 2  0  22 o 34.234  1.5030 432.155   37.548  483.368   58.281   395.816   49.093   36.097  2.2221 32.656  2.0701 -0.000000      0.000000  
1 1 1 2  0  23 o 13.031  0.7828 62.915    7.4149  83.362    11.963   50.161    9.4486   14.959  1.1050 11.530  1.1438 -0.000000      0.000000  
1 1 1 2  0  24 o 34.358  1.2260 434.461   30.786  448.876   38.741   409.760   50.714   34.887  1.5216 33.220  2.1021 -0.000000      0.000000  
1 1 1 2  0  25 o 64.104  1.8203 1511.40   85.373  1567.20   124.880  1462.44   116.980  65.157  2.6245 62.945  2.5450 0.000000       0.000000  
1 1 1 2  0  26 o 58.925  1.6980 1277.45   73.198  1288.67   105.242  1266.93   101.876  59.062  2.4406 58.570  2.3820 -0.000000      0.000000  
1 1 1 2  0  27 o 65.138  1.8736 1562.51   89.284  1611.37   131.056  1520.19   121.966  65.978  2.7206 64.101  2.6057 0.000000       0.000000  
1 1 1 2  0  28 o 49.499  2.0825 905.922   75.249  1105.75   126.342  796.066   93.677   54.423  3.1924 46.209  2.7891 -0.000000      0.000000  
1 1 1 2  0  29 o 10.738  0.9227 43.218    7.1388  35.530    9.5123   53.131    10.802   9.5163  1.4676 11.828  1.2844 0.000000       0.000000  
1 1 1 2  0  30 o 8.1196  1.0714 25.421    6.0675  27.216    9.0697   23.967    8.1632   8.1076  1.7382 7.5818  1.6802 -0.000000      0.000000  
1 1 1 2  0  31 o 9.4624  1.0631 34.080    7.1337  49.104    10.774   22.351    9.5194   11.330  1.3477 6.9981  2.1260 -0.000000      0.000000  
1 1 1 2  0  32 o 39.742  1.2309 581.851   35.778  524.355   45.855   671.320   57.201   37.634  1.6699 42.569  1.8411 -0.000000      0.000000  
1 1 1 2  0  33 o 22.383  1.2883 185.990   20.975  210.112   32.271   168.344   27.601   23.644  1.8899 21.140  1.8119 0.000000       0.000000  
1 1 1 2  1  0  o 31.615  0.9159 367.242   21.185  443.643   35.288   324.192   26.489   34.708  1.3922 29.666  1.2229 -0.000000      0.000000  
1 1 1 2  1  1  o 120.479 2.3588 5321.43   208.297 5299.63   295.199  5343.05   293.958  120.210 3.3504 120.702 3.3227 -0.4921494     4.718611  
1 1 1 2  1  2  o 199.957 3.8863 14667.15  569.576 14316.76  908.990  14893.67  730.845  197.399 6.2825 201.434 4.9501 -4.034927      7.998326  
1 1 1 2  1  3  o 366.824 7.1987 49479.60  1935.49 46722.34  2599.94  52907.09  2898.76  355.909 9.9665 378.615 10.446 -22.70496      14.43754  
1 1 1 2  1  4  o 115.050 2.2551 4852.73   190.167 5199.19   286.315  4579.25   254.383  119.062 3.2809 111.743 3.1059 7.318932       4.517836  
1 1 1 2  1  5  o 278.933 5.8467 28599.83  1195.33 25659.12  1629.21  32028.44  1759.17  263.776 8.4268 294.762 8.1425 -30.98648      11.71795  
1 1 1 2  1  6  o 268.348 5.6364 26489.70  1108.62 24671.28  1583.20  28239.19  1552.90  258.393 8.3594 276.629 7.6589 -18.23578      11.33744  
1 1 1 2  1  7  o 100.100 2.7728 3675.68   203.436 3773.62   294.936  3586.78   280.976  101.373 3.9694 98.836  3.8786 2.536987       5.549724  
1 1 1 2  1  8  o 90.488  2.0481 3002.07   135.842 2848.82   181.945  3195.09   204.193  88.132  2.8166 93.329  2.9850 -5.197906      4.104075  
1 1 1 2  1  9  o 285.536 5.9854 29953.60  1252.68 31147.35  1996.30  29178.26  1608.85  290.650 9.3708 281.575 7.7954 9.075317       12.18935  
1 1 1 2  1  10 o 150.778 3.1713 8336.09   350.473 8161.83   457.238  8584.29   545.701  149.164 4.1821 152.950 4.8677 -3.786118      6.417553  
1 1 1 2  1  11 o 160.477 3.3661 9443.77   395.937 9379.58   596.199  9494.43   529.582  159.868 5.0880 160.869 4.4914 -1.000641      6.786786  
1 1 1 2  1  12 o 164.348 3.4617 9905.82   417.002 10392.54  667.510  9594.28   534.034  168.251 5.4127 161.704 4.5058 6.547775       7.042707  
1 1 1 2  1  13 o 77.926  1.6598 2225.87   94.804  2251.10   127.069  2194.18   142.379  78.361  2.2124 77.360  2.5110 1.000900       3.346604  
1 1 1 2  1  14 o 122.358 2.5773 5489.90   231.145 5715.14   367.229  5342.11   297.461  124.792 4.0149 120.675 3.3630 4.116226       5.237278  
1 1 1 2  1  15 o 136.521 4.3725 6845.98   437.534 6471.31   505.496  7965.12   873.642  132.671 5.1983 146.623 8.1616 -13.95284      9.676452  
1 1 1 2  1  16 o 175.310 3.4436 11284.85  442.483 11317.75  625.462  11251.88  626.068  175.398 4.8651 174.884 4.8842 0.5138245      6.893811  
1 1 1 2  1  17 o 112.615 2.3831 4653.46   196.710 4607.74   259.706  4714.98   301.283  112.008 3.1634 113.266 3.6291 -1.257385      4.814245  
1 1 1 2  1  18 o 97.524  2.2331 3490.01   159.626 3923.23   251.048  3196.00   206.817  103.320 3.3151 93.275  3.0251 10.04420       4.487854  
1 1 1 2  1  19 o 120.297 2.5288 5313.33   222.972 5155.84   287.380  5551.55   353.429  118.423 3.3109 122.804 3.9265 -4.381302      5.136097  
1 1 1 2  1  20 o 18.462  0.5257 124.927   7.1143  131.611   10.394   119.034   9.7586   18.949  0.7483 18.021  0.7388 0.9281101      1.051600  
1 1 1 2  1  21 o 131.138 2.5735 6316.02   247.361 6156.10   340.799  6494.08   359.599  129.334 3.5950 132.822 3.6938 -3.487381      5.154432  
1 1 1 2  1  22 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  1  23 o 73.392  1.5618 1976.08   84.017  1975.73   111.413  1976.54   127.927  73.356  2.0721 73.350  2.3795 0.6347656E-02  3.155251  
1 1 1 2  1  24 o 113.562 2.5976 4744.20   216.216 4600.08   257.881  5085.28   396.725  111.725 3.1491 117.096 4.6224 -5.370827      5.593141  
1 1 1 2  1  25 o 32.535  0.7735 388.100   18.446  361.740   26.654   412.326   25.552   31.403  1.1580 33.530  1.0397 -2.126955      1.556304  
1 1 1 2  1  26 o 121.689 3.0864 5478.69   275.282 4983.31   391.454  5963.36   387.197  115.379 4.6289 126.462 4.1773 -11.08338      6.235059  
1 1 1 2  1  27 o 69.842  1.4980 1793.14   76.683  1786.93   117.046  1797.80   101.501  69.578  2.2951 69.852  1.9825 -0.2747192     3.032785  
1 1 1 2  1  28 o 11.054  0.7381 45.025    5.9458  47.774    8.5297   42.426    8.2926   11.360  1.0358 10.696  1.0722 0.6644888      1.490797  
1 1 1 2  1  29 f 61.306  1.3363 1382.01   60.048  1357.21   77.983   1418.14   94.114   60.680  1.7534 61.956  2.0725 -1.276440      2.714667  
1 1 1 2  1  30 o 12.577  0.5922 58.009    5.4592  52.414    7.5217   64.237    7.9357   11.918  0.8670 13.204  0.8241 -1.286089      1.196144  
1 1 1 2  1  31 o 9.9269  0.7088 36.342    5.1230  47.188    7.5619   27.141    6.9650   11.298  0.9212 8.5164  1.1448 2.781852       1.469385  
1 1 1 2  1  32 o 25.104  0.7476 231.375   13.756  196.982   17.431   288.150   22.396   23.145  1.0275 27.988  1.0918 -4.842335      1.499246  
1 1 1 2  1  33 o 47.751  1.6544 844.302   57.904  919.357   107.655  813.750   68.685   49.173  3.0013 46.768  2.0037 2.404884       3.608720  
1 1 1 2  2  0  o 183.689 5.1385 12405.21  690.605 11937.99  930.010  12979.55  1031.12  179.924 7.0770 187.571 7.5276 -0.000000      0.000000  
1 1 1 2  2  1  o 419.569 8.8364 64840.89  2717.42 63080.46  3513.79  67460.55  4286.38  413.081 11.605 426.451 13.713 -13.37045      17.96491  
1 1 1 2  2  2  o 148.358 2.9183 8070.71   317.332 8030.17   450.371  8110.69   447.197  147.943 4.1533 148.685 4.1035 -0.7419128     5.838531  
1 1 1 2  2  3  o 349.353 6.8704 44874.94  1759.24 41692.10  2318.92  49190.79  2700.29  336.255 9.4088 365.077 10.091 -28.82172      13.79709  
1 1 1 2  2  4  o 342.633 6.7466 43178.82  1694.32 44957.70  2498.48  41664.24  2305.41  348.933 9.7691 336.012 9.3608 12.92081       13.52992  
1 1 1 2  2  5  o 211.976 4.1216 16494.82  640.381 16383.97  900.113  16608.43  911.262  211.089 5.8177 212.526 5.8499 -1.437164      8.250280  
1 1 1 2  2  6  o 144.394 3.0310 7649.65   320.788 7558.70   479.804  7723.17   431.376  143.430 4.5640 145.021 4.0583 -1.591049      6.107344  
1 1 1 2  2  7  o 209.593 5.8086 16166.00  892.343 16217.14  1269.88  16116.13  1254.19  209.480 8.2707 208.842 8.1934 0.6371460      11.64199  
1 1 1 2  2  8  o 244.809 5.5557 22026.83  996.882 22340.45  1424.73  21726.02  1395.33  246.187 7.8957 242.788 7.8410 3.399414       11.12756  
1 1 1 2  2  9  o 12.935  0.3981 61.321    3.7740  69.510    5.6866   54.875    5.0453   13.772  0.5633 12.236  0.5625 1.535440       0.7961206 
1 1 1 2  2  10 o 164.805 3.4694 9960.34   419.094 9534.62   609.709  10341.63  577.018  161.182 5.1609 167.885 4.6892 -6.703644      6.973040  
1 1 1 2  2  11 o 106.737 2.0880 4176.21   163.352 4124.71   227.968  4230.57   234.187  106.064 2.9324 107.416 2.9745 -1.351730      4.176929  
1 1 1 2  2  12 o 522.907 13.118 101251.80 5027.89 100444.10 7993.88  101780.50 6467.31  516.597 21.112 522.502 16.887 -5.904968      27.03482  
1 1 1 2  2  13 o 262.743 5.5121 25353.62  1061.52 26027.21  1445.81  24565.88  1563.51  265.981 7.4162 258.287 8.2588 7.694244       11.09988  
1 1 1 2  2  14 o 148.539 3.6804 8095.89   400.699 8535.13   542.099  7566.89   594.924  152.446 4.8516 143.484 5.6569 8.962143       7.452402  
1 1 1 2  2  15 o 136.066 4.3497 6801.06   433.804 6525.96   509.799  7523.00   825.857  133.217 5.2210 142.500 7.9385 -9.282700      9.501520  
1 1 1 2  2  16 o 148.264 3.3697 8071.50   366.195 8752.26   482.596  7147.54   562.232  154.300 4.2671 139.297 5.5067 15.00337       6.966518  
1 1 1 2  2  17 o 46.436  1.0182 790.438   34.654  792.879   53.243   788.644   45.647   46.501  1.5621 46.380  1.3428 0.1210556      2.059931  
1 1 1 2  2  18 o 41.637  0.8675 635.478   26.475  671.646   39.408   605.723   35.744   42.801  1.2562 40.647  1.1997 2.153961       1.737041  
1 1 1 2  2  19 o 67.038  1.4396 1648.00   70.735  1775.71   114.880  1570.02   89.769   69.556  2.2534 65.419  1.8722 4.137451       2.929603  
1 1 1 2  2  20 o 131.234 2.9956 6329.32   288.147 6130.78   393.138  6559.78   423.564  128.993 4.1581 133.399 4.3320 -4.406296      6.004665  
1 1 1 2  2  21 o 92.292  2.6042 3128.67   176.165 3288.23   213.664  2789.91   311.317  94.574  3.0823 86.768  4.9153 7.806160       5.801807  
1 1 1 2  2  22 o 37.850  0.9352 525.210   25.946  619.724   42.120   467.418   32.936   41.107  1.3980 35.702  1.2586 5.404377       1.881070  
1 1 1 2  2  23 o 91.448  1.9423 3069.84   130.189 3254.46   208.300  2951.50   166.775  94.047  3.0218 89.615  2.5391 4.431656       3.946906  
1 1 1 2  2  24 o 91.252  2.0909 3059.29   139.849 2922.06   189.406  3223.78   207.364  89.078  2.9010 93.545  3.0244 -4.466301      4.190746  
1 1 1 2  2  25 o 96.582  2.2242 3430.96   157.452 3402.23   192.101  3489.78   274.838  96.089  2.7276 97.054  3.8635 -0.9641418     4.729321  
1 1 1 2  2  26 o 64.320  1.5073 1519.72   71.062  1392.12   91.619   1712.41   112.583  61.502  2.0324 68.178  2.2529 -6.675949      3.034208  
1 1 1 2  2  27 o 10.655  0.6934 41.810    5.3859  41.912    7.7049   41.711    7.5316   10.640  0.9997 10.616  0.9789 0.2348042E-01  1.399173  
1 1 1 2  2  28 o 4.7332  1.4934 8.1157    5.7915  17.098    8.3079   -0.3755   8.0777   6.6855  1.6935 3.8074  1.6285 2.878070       2.349490  
1 1 1 2  2  29 o 39.492  1.2097 573.169   35.017  600.600   51.345   549.318   47.878   40.367  1.7354 38.610  1.6918 1.756313       2.423596  
1 1 1 2  2  30 f 31.423  0.7660 362.312   17.642  354.982   22.987   372.819   27.520   31.089  1.0088 31.848  1.1789 -0.7588234     1.551632  
1 1 1 2  2  31 f 21.679  0.6020 172.397   9.5657  163.442   13.040   182.831   14.075   21.100  0.8432 22.315  0.8605 -1.215672      1.204782  
1 1 1 2  2  32 o 19.570  0.7521 140.617   10.788  127.653   16.552   150.191   14.225   18.579  1.2223 20.214  0.9601 -1.634897      1.554282  
1 1 1 2  2  33 o 36.871  1.1525 500.764   31.147  504.105   44.124   497.446   43.974   36.900  1.6314 36.654  1.6368 0.2457504      2.310967  
1 1 1 2  3  0  o 251.240 6.9431 23223.18  1276.36 22592.78  1757.88  23926.09  1856.23  247.327 9.7312 254.502 9.9858 0.000000       0.000000  
1 1 1 2  3  1  o 214.168 4.4660 16832.68  701.053 17458.94  957.828  16110.09  1028.86  217.997 5.9945 209.342 6.7053 8.654770       8.994194  
1 1 1 2  3  2  o 408.298 8.5943 61419.73  2571.99 55484.82  3526.00  68168.26  3759.93  386.955 12.432 429.086 11.955 -42.13089      17.24762  
1 1 1 2  3  3  o 113.468 2.2140 4720.30   184.134 4940.19   272.342  4535.14   249.911  116.057 3.2016 111.201 3.0662 4.855789       4.432993  
1 1 1 2  3  4  o 125.215 2.6308 5749.68   241.448 5371.56   298.625  6463.51   410.308  121.003 3.3671 132.694 4.2187 -11.69067      5.397642  
1 1 1 2  3  5  o 186.844 3.6620 12814.28  501.510 13161.07  725.109  12496.26  694.373  189.200 5.2288 184.370 5.1383 4.830399       7.330937  
1 1 1 2  3  6  o 101.525 2.3101 3780.03   171.905 4105.61   261.130  3531.01   228.371  105.765 3.3685 98.093  3.1763 7.671974       4.629840  
1 1 1 2  3  7  o 394.250 9.0346 57485.07  2610.71 54684.79  3512.88  60939.92  3901.90  382.933 12.516 403.860 13.181 -20.92722      18.17685  
1 1 1 2  3  8  o 159.432 3.9542 9327.18   462.075 9924.91   774.189  8996.42   575.901  164.290 6.4292 156.519 5.0200 7.771469       8.156844  
1 1 1 2  3  9  o 385.728 7.5809 54712.49  2143.29 52924.63  2934.98  56755.29  3137.27  378.767 10.572 392.151 10.915 -13.38315      15.19535  
1 1 1 2  3  10 o 208.874 4.0572 16003.14  621.146 16355.82  897.136  15678.41  860.853  211.067 5.7991 206.657 5.6833 4.409744       8.119653  
1 1 1 2  3  11 o 285.878 6.0027 30012.73  1257.80 32025.90  1776.52  27989.22  1781.07  295.047 8.2148 275.746 8.8123 19.30026       12.04744  
1 1 1 2  3  12 f 303.581 6.3456 33861.31  1411.98 31794.11  2034.02  35783.99  1961.63  293.715 9.4482 311.752 8.5848 -18.03741      12.76583  
1 1 1 2  3  13 o 180.959 3.8116 12013.83  505.554 12213.80  776.047  11866.40  666.349  182.329 5.8070 179.771 5.0571 2.557205       7.700359  
1 1 1 2  3  14 o 150.579 3.4180 8319.11   377.235 8653.62   550.650  8023.27   517.843  153.484 4.8948 147.796 4.7803 5.687668       6.841787  
1 1 1 2  3  15 o 111.868 2.5463 4590.32   208.782 4444.11   285.642  4758.03   305.926  110.028 3.5419 113.841 3.6664 -3.812881      5.097792  
1 1 1 2  3  16 f 188.375 4.2662 13047.42  589.038 13881.20  880.367  12371.63  792.582  193.948 6.1929 183.156 5.9039 10.79173       8.556224  
1 1 1 2  3  17 o 14.663  0.4929 78.797    5.2969  72.499    7.2749   85.902    7.7274   14.046  0.7089 15.309  0.6887 -1.262808      0.9883268 
1 1 1 2  3  18 o 165.805 3.2745 10104.81  397.941 10057.29  563.362  10152.14  562.188  165.168 4.6535 165.951 4.6219 -0.7836151     6.558747  
1 1 1 2  3  19 o 160.781 3.1581 9502.24   372.167 9862.21   546.833  9191.64   507.960  163.531 4.5622 157.911 4.3887 5.620682       6.330426  
1 1 1 2  3  20 o 118.925 2.5185 5193.58   219.533 5099.80   325.344  5271.97   297.459  117.700 3.7713 119.722 3.3898 -2.021881      5.070811  
1 1 1 2  3  21 o 112.345 2.8132 4637.91   231.650 4791.12   308.972  4441.24   350.070  114.074 3.6953 109.732 4.3525 4.342377       5.709619  
1 1 1 2  3  22 o 69.829  1.6232 1788.78   83.080  1897.53   124.022  1700.26   111.896  71.880  2.3540 68.047  2.2435 3.832207       3.251878  
1 1 1 2  3  23 o 65.274  1.5180 1563.09   72.626  1678.40   108.944  1470.86   97.434   67.599  2.1988 63.288  2.1004 4.311127       3.040785  
1 1 1 2  3  24 o 61.539  1.3348 1389.36   60.206  1425.78   82.197   1347.21   88.435   62.314  1.7996 60.559  1.9923 1.754421       2.684787  
1 1 1 2  3  25 o 49.533  1.4607 900.669   53.031  810.011   68.516   1036.14   83.754   46.941  1.9914 53.077  2.1529 -6.135559      2.932657  
1 1 1 2  3  26 o 49.537  1.0946 900.476   39.743  891.004   51.617   914.268   62.285   49.253  1.4298 49.869  1.7040 -0.6156693     2.224419  
1 1 1 2  3  27 o 41.171  1.2414 622.584   37.461  715.217   59.353   561.250   48.296   44.069  1.8375 39.053  1.6872 5.015648       2.494609  
1 1 1 2  3  28 o 24.464  0.7855 219.575   14.085  242.269   19.416   194.369   20.463   25.687  1.0313 22.967  1.2200 2.719862       1.597438  
1 1 1 2  3  29 o 56.974  1.1583 1192.76   48.371  1209.45   69.439   1177.02   67.420   57.294  1.6535 56.525  1.6273 0.7686272      2.319973  
1 1 1 2  3  30 o 27.491  0.6625 277.237   13.349  297.685   19.793   260.177   18.079   28.473  0.9484 26.620  0.9266 1.852951       1.325913  
1 1 1 2  3  31 o 17.202  0.5797 108.532   7.3084  119.705   10.931   99.499    9.8283   18.057  0.8259 16.463  0.8145 1.594027       1.159930  
1 1 1 2  3  32 o 10.852  0.9623 43.632    7.5750  46.583    11.063   41.028    10.394   11.155  1.3827 10.457  1.3905 0.6980801      1.960958  
1 1 1 2  3  33 o 34.035  1.0921 426.510   27.243  456.372   40.996   402.895   36.457   35.114  1.5929 33.010  1.5068 2.104252       2.192632  
1 1 1 2  4  0  o 161.763 4.4592 9619.23   527.805 9608.07   745.793  9630.43   747.066  161.418 6.3256 161.606 6.3290 -0.000000      0.000000  
1 1 1 2  4  1  o 228.126 4.4483 19103.03  743.794 18680.69  919.791  19901.05  1264.35  225.487 5.5653 232.507 7.4191 -7.020233      9.274434  
1 1 1 2  4  2  o 29.902  0.6156 327.683   13.492  321.859   18.861   333.787   19.308   29.634  0.8683 30.178  0.8729 -0.5441360     1.231248  
1 1 1 2  4  3  o 158.561 3.0854 9222.57   358.578 9422.04   596.803  9109.88   448.573  160.137 5.0846 157.546 3.8846 2.591309       6.398701  
1 1 1 2  4  4  o 262.780 5.1450 25386.81  990.972 24954.12  1375.54  25853.70  1428.87  260.134 7.2143 264.748 7.3634 -4.613098      10.30857  
1 1 1 2  4  5  o 107.141 2.1082 4209.40   165.554 3937.45   217.669  4582.60   254.994  103.597 2.8666 111.752 3.1131 -8.154556      4.231893  
1 1 1 2  4  6  o 29.887  0.7146 327.379   15.655  332.491   22.409   322.507   21.879   30.119  1.0151 29.663  1.0063 0.4556427      1.429382  
1 1 1 2  4  7  o 211.537 4.1555 16425.86  644.301 16924.13  929.224  15964.49  894.146  214.544 5.9091 208.379 5.8543 6.165070       8.318066  
1 1 1 2  4  8  o 215.102 6.8473 17010.68  1079.55 16393.43  1273.36  18588.18  2035.65  211.014 8.2330 223.698 12.465 -12.68367      14.93841  
1 1 1 2  4  9  o 195.453 4.0998 14013.29  587.334 13635.13  881.488  14315.22  787.643  192.680 6.2417 197.477 5.4417 -4.797791      8.280693  
1 1 1 2  4  10 f 317.822 6.1815 37096.84  1440.00 37077.91  2034.94  37115.82  2037.98  317.406 8.7470 317.566 8.7556 -0.1609192     12.37617  
1 1 1 2  4  11 o 344.971 6.7661 43732.91  1710.81 43690.34  2397.62  43777.05  2441.88  344.346 9.4996 344.654 9.6663 -0.3086853     13.55283  
1 1 1 2  4  12 o 34.515  0.7193 436.600   18.196  436.158   25.696   437.045   25.770   34.497  1.0163 34.532  1.0181 -0.3504944E-01 1.438546  
1 1 1 2  4  13 o 178.104 3.4666 11636.62  452.547 11209.03  616.509  12136.21  666.395  174.721 4.8141 181.790 5.0013 -7.068954      6.941757  
1 1 1 2  4  14 o 175.340 4.8495 11296.40  623.250 10830.04  842.286  11860.72  926.544  171.481 6.7013 179.409 7.0460 -7.927780      9.723872  
1 1 1 2  4  15 o 75.620  1.4942 2096.38   82.816  2155.25   120.064  2042.96   114.381  76.661  2.1368 74.639  2.0908 2.022568       2.989509  
1 1 1 2  4  16 o 272.077 6.2118 27337.30  1238.77 30641.06  1938.11  25055.40  1610.74  286.736 9.2218 259.628 8.4643 27.10825       12.51745  
1 1 1 2  4  17 o 203.990 4.0123 15310.34  599.910 14814.46  818.439  15886.12  881.913  200.292 5.5750 207.344 5.8030 -7.052292      8.047064  
1 1 1 2  4  18 o 138.414 2.7219 7036.25   276.147 7680.66   424.357  6562.92   363.688  144.433 4.0085 133.554 3.7153 10.87897       5.465471  
1 1 1 2  4  19 o 99.265  1.9538 3615.41   142.157 3544.75   196.542  3692.93   205.861  98.235  2.7296 100.262 2.8013 -2.026054      3.911294  
1 1 1 2  4  20 o 123.604 2.8155 5613.47   255.077 5722.76   370.050  5514.53   352.088  124.630 4.0509 122.362 3.9258 2.268745       5.641080  
1 1 1 2  4  21 o 51.927  2.1029 989.711   80.037  997.345   114.173  982.335   112.231  51.998  3.0085 51.607  2.9797 0.3909683      4.234401  
1 1 1 2  4  22 o 136.992 2.9038 6900.96   291.575 7555.54   480.006  6518.21   367.053  142.984 4.5801 132.987 3.7657 9.997818       5.929391  
1 1 1 2  4  23 o 35.715  0.7736 467.617   20.251  424.181   26.208   531.978   31.902   34.012  1.0513 38.088  1.1428 -4.075489      1.552780  
1 1 1 2  4  24 o 49.034  1.0072 881.691   36.200  873.443   50.741   890.240   51.659   48.788  1.4189 49.255  1.4309 -0.4663544     2.015180  
1 1 1 2  4  25 o 116.135 2.3020 4964.70   195.947 5296.80   295.802  4705.02   261.567  119.654 3.3728 112.836 3.1627 6.817825       4.623679  
1 1 1 2  4  26 o 61.626  1.3339 1394.67   60.250  1403.74   91.865   1387.82   79.812   61.743  2.0300 61.426  1.7727 0.3164291      2.695022  
1 1 1 2  4  27 o 28.137  0.7721 290.394   15.924  275.389   21.528   308.524   23.664   27.389  1.0724 28.988  1.1137 -1.598980      1.546098  
1 1 1 2  4  28 f 6.7992  0.9779 17.319    4.7333  13.788    6.5952   21.070    6.7972   6.0044  1.5023 7.4656  1.2887 -1.461280      1.979327  
1 1 1 2  4  29 o 52.296  1.0762 1004.62   41.252  997.056   58.048   1012.35   58.636   52.038  1.5219 52.435  1.5257 -0.3969231     2.154964  
1 1 1 2  4  30 o 41.633  0.8859 636.332   27.035  640.045   38.271   632.633   38.195   41.718  1.2516 41.475  1.2564 0.2428322      1.773463  
1 1 1 2  4  31 o 7.3269  0.8783 19.996    4.6229  20.147    6.4327   19.834    6.6481   7.2983  1.2473 7.2313  1.3022 0.6702471E-01  1.803200  
1 1 1 2  4  32 o 23.227  0.8771 198.246   14.932  191.042   20.580   206.254   21.697   22.738  1.2395 23.626  1.2575 -0.8877640     1.765699  
1 1 1 2  4  33 o 26.553  0.7598 258.981   14.786  236.819   19.505   288.926   22.673   25.365  1.0492 28.010  1.1044 -2.645189      1.523262  
1 1 1 2  5  0  o 116.823 3.2304 5015.85   276.129 5342.83   414.861  4755.78   369.990  120.395 4.7177 113.594 4.4594 -0.000000      0.000000  
1 1 1 2  5  1  o 208.178 4.0577 15911.54  619.146 15772.37  775.634  16155.97  1027.91  207.156 5.1083 209.444 6.6959 -2.287750      8.421981  
1 1 1 2  5  2  o 66.125  1.2977 1602.77   62.896  1537.83   85.421   1679.66   92.952   64.766  1.7995 67.685  1.8736 -2.919617      2.597795  
1 1 1 2  5  3  o 72.579  1.4202 1931.01   75.549  2019.09   128.822  1884.83   93.273   74.199  2.3687 71.701  1.7748 2.498146       2.959863  
1 1 1 2  5  4  o 206.056 4.0247 15594.05  607.862 15563.44  860.348  15624.55  858.946  205.630 5.7083 206.036 5.6878 -0.4064941     8.058261  
1 1 1 2  5  5  o 107.459 2.1083 4234.23   166.053 4325.76   238.450  4148.05   231.379  108.584 2.9961 106.331 2.9688 2.252739       4.217839  
1 1 1 2  5  6  o 199.463 4.9402 14615.71  722.251 15141.23  1177.17  14298.45  914.639  202.635 7.9258 197.135 6.3300 5.500275       10.14338  
1 1 1 2  5  7  o 364.072 7.1151 48757.51  1898.67 48218.49  2649.00  49326.97  2722.76  361.400 10.000 365.486 10.164 -4.086395      14.25869  
1 1 1 2  5  8  o 140.701 3.1847 7259.42   328.433 8046.62   511.059  6705.56   428.675  148.081 4.7086 135.193 4.3261 12.88795       6.394209  
1 1 1 2  5  9  o 203.376 3.9954 15171.69  595.580 14103.10  781.228  16654.64  920.312  196.009 5.4378 212.973 5.8956 -16.96371      8.020463  
1 1 1 2  5  10 o 236.793 4.6287 20574.79  803.363 20019.96  1103.23  21201.09  1172.15  233.441 6.4478 240.209 6.6575 -6.768204      9.268030  
1 1 1 2  5  11 o 271.007 5.2903 26964.47  1050.86 27389.37  1514.45  26569.91  1459.36  272.877 7.5719 268.785 7.4076 4.091949       10.59274  
1 1 1 2  5  12 o 139.036 2.7111 7088.29   276.283 7051.68   388.492  7125.76   392.993  138.639 3.8231 139.365 3.8473 -0.7253723     5.423793  
1 1 1 2  5  13 o 142.856 3.0076 7485.48   314.919 7504.12   481.634  7471.55   416.218  142.952 4.5967 142.677 3.9800 0.2748566      6.080313  
1 1 1 2  5  14 o 63.130  1.4571 1460.95   67.422  1465.64   95.160   1456.24   95.538   63.222  2.0535 63.019  2.0683 0.2033272      2.914631  
1 1 1 2  5  15 o 187.833 3.6708 12959.30  505.376 12720.41  701.684  13216.80  728.488  185.889 5.1500 189.465 5.2458 -3.576370      7.351269  
1 1 1 2  5  16 o 145.355 4.0403 7771.04   430.456 8768.10   682.244  7111.62   554.833  154.056 6.0420 138.846 5.4519 15.20969       8.138125  
1 1 1 2  5  17 o 79.833  1.6987 2337.47   99.396  2392.31   134.873  2272.29   147.050  80.739  2.2791 78.675  2.5501 2.064987       3.420092  
1 1 1 2  5  18 o 98.014  1.9278 3524.63   138.492 3453.30   192.623  3600.95   199.260  96.964  2.7103 99.013  2.7457 -2.048363      3.858027  
1 1 1 2  5  19 o 64.769  1.2982 1538.22   61.630  1570.24   88.778   1508.44   85.622   65.422  1.8514 64.122  1.8218 1.299301       2.597430  
1 1 1 2  5  20 o 66.332  1.4265 1613.58   69.354  1519.82   86.177   1785.92   116.842  64.362  1.8268 69.747  2.2856 -5.385292      2.925892  
1 1 1 2  5  21 o 63.815  1.8251 1494.28   85.366  1785.06   141.707  1328.65   106.950  69.691  2.7742 60.146  2.4260 9.545799       3.685319  
1 1 1 2  5  22 o 148.474 2.9264 8107.94   318.461 8007.27   446.566  8212.13   454.277  147.285 4.1366 149.153 4.1554 -1.867340      5.863331  
1 1 1 2  5  23 o 17.202  0.7586 108.483   9.5647  80.706    16.568   122.368   11.714   14.749  1.5561 18.269  0.8748 -3.520573      1.785144  
1 1 1 2  5  24 o 9.2900  0.6590 31.797    4.4584  30.148    6.3891   33.363    6.2244   9.0135  0.9830 9.4955  0.9053 -0.4819794     1.336367  
1 1 1 2  5  25 o 78.600  1.6832 2270.02   96.970  2407.75   134.484  2120.86   139.953  80.863  2.2690 75.852  2.5173 5.011757       3.388998  
1 1 1 2  5  26 o 37.245  0.8038 508.793   21.943  542.617   32.731   481.179   29.574   38.446  1.1615 36.207  1.1144 2.239422       1.609652  
1 1 1 2  5  27 o 19.647  0.6589 141.562   9.4881  131.144   12.781   154.349   14.161   18.904  0.9224 20.508  0.9421 -1.603792      1.318479  
1 1 1 2  5  28 o 24.957  0.6710 228.455   12.275  231.671   16.352   224.303   18.579   25.124  0.8880 24.715  1.0256 0.4088612      1.356621  
1 1 1 2  5  29 o 7.2277  0.8530 19.440    4.4316  10.000    6.0340   30.495    6.5299   5.1635  1.5032 9.0576  1.0003 -3.894136      1.805598  
1 1 1 2  5  30 o 25.826  0.7405 244.748   14.017  288.569   22.377   216.454   17.981   28.022  1.0895 24.274  1.0106 3.748026       1.486064  
1 1 1 2  5  31 o 30.244  0.7061 335.704   15.652  374.572   24.143   307.525   20.557   31.922  1.0319 28.929  0.9695 2.992569       1.415853  
1 1 1 2  5  32 o 28.280  0.6820 293.602   14.137  302.552   20.377   285.299   19.628   28.683  0.9693 27.854  0.9614 0.8290272      1.365179  
1 1 1 2  5  33 o 21.826  0.6166 174.848   9.8642  160.885   13.357   191.604   14.631   20.920  0.8711 22.830  0.8743 -1.909754      1.234190  
1 1 1 2  6  0  o 386.952 10.838 55445.37  3068.28 52544.70  3339.96  71131.00  7766.81  376.169 12.142 429.540 24.860 -0.000000      0.000000  
1 1 1 2  6  1  o 204.017 3.9696 15286.96  593.595 14763.06  725.019  16352.16  1033.82  200.373 4.9366 210.587 6.6978 -10.21428      8.320480  
1 1 1 2  6  2  o 200.075 3.8921 14699.93  570.762 14794.22  812.523  14608.07  801.941  200.509 5.5287 199.249 5.4912 1.259995       7.792264  
1 1 1 2  6  3  o 125.135 2.4393 5743.05   223.729 5760.25   367.500  5732.93   282.010  125.241 4.0034 124.996 3.0781 0.2445526      5.049972  
1 1 1 2  6  4  o 192.396 3.7420 13587.43  527.687 13899.33  879.859  13412.22  659.447  194.325 6.1774 191.063 4.7089 3.262054       7.767492  
1 1 1 2  6  5  o 75.394  1.4766 2083.58   81.598  2114.29   117.068  2054.57   113.795  75.939  2.1032 74.860  2.0739 1.079727       2.953786  
1 1 1 2  6  6  o 276.527 6.2119 28102.99  1259.05 27503.23  1743.52  28756.58  1820.08  273.189 8.7073 279.311 8.8904 -6.122620      12.44410  
1 1 1 2  6  7  o 408.271 7.9672 61321.36  2384.15 59298.47  3269.38  63618.94  3484.28  400.752 11.130 415.004 11.455 -14.25153      15.97160  
1 1 1 2  6  8  o 257.825 5.8183 24407.87  1099.52 25210.94  1603.07  23694.46  1510.93  261.767 8.3552 253.799 8.1222 7.967575       11.65245  
1 1 1 2  6  9  o 505.828 11.444 94492.04  4242.73 92480.08  5854.47  96717.48  6157.22  498.584 16.020 509.656 16.483 -11.07217      22.98531  
1 1 1 2  6  10 o 153.345 2.9872 8622.53   335.750 8607.45   474.381  8637.66   475.263  153.167 4.2255 153.436 4.2260 -0.2685394     5.976120  
1 1 1 2  6  11 o 187.341 4.6653 12882.19  640.609 14253.08  1105.34  12188.83  786.091  196.798 7.6629 182.146 5.8881 14.65233       9.663828  
1 1 1 2  6  12 o 282.622 6.4020 29375.80  1326.17 31018.86  1966.59  28005.45  1795.98  289.863 9.2563 275.501 8.8940 14.36203       12.83680  
1 1 1 2  6  13 o 321.845 6.2959 38131.79  1485.21 37405.74  2066.54  38907.45  2135.97  318.069 8.8643 324.352 8.9846 -6.282776      12.62134  
1 1 1 2  6  14 o 15.771  0.6552 91.162    7.5736  102.587   11.342   81.968    10.174   16.704  0.9301 14.925  0.9348 1.778765       1.318642  
1 1 1 2  6  15 o 127.051 2.5094 5923.12   233.680 5842.58   324.853  6009.50   336.397  126.109 3.5145 127.891 3.5886 -1.782097      5.022923  
1 1 1 2  6  16 f 103.151 2.3592 3904.75   178.370 4368.19   278.042  3580.62   232.523  109.013 3.4798 98.719  3.2135 10.29367       4.736632  
1 1 1 2  6  17 o 55.763  1.1229 1140.01   45.895  1104.60   62.759   1180.72   67.290   54.881  1.5602 56.739  1.6180 -1.857910      2.247685  
1 1 1 2  6  18 o 92.598  1.8249 3145.63   123.857 3129.46   174.495  3162.05   175.833  92.311  2.5790 92.790  2.5853 -0.4790497     3.651740  
1 1 1 2  6  19 o 39.925  0.8305 584.300   24.303  615.088   35.934   558.347   32.992   40.958  1.1970 39.024  1.1535 1.934227       1.662294  
1 1 1 2  6  20 o 126.174 2.6731 5848.99   247.210 6708.67   432.330  5431.36   301.333  134.845 4.3742 121.494 3.3839 13.35091       5.530300  
1 1 1 2  6  21 o 88.060  1.7418 2845.37   112.426 2771.46   154.368  2928.85   164.065  86.860  2.4247 89.285  2.5070 -2.425095      3.487725  
1 1 1 2  6  22 o 40.109  0.8466 589.756   24.889  541.365   32.603   657.355   38.534   38.423  1.1577 42.337  1.2418 -3.914524      1.697712  
1 1 1 2  6  23 o 133.396 3.0367 6556.94   296.907 6340.49   406.157  6805.36   435.116  130.840 4.2352 135.502 4.3811 -4.661697      6.093473  
1 1 1 2  6  24 o 87.186  1.7250 2791.98   110.236 2792.50   155.729  2791.46   156.067  87.098  2.4394 87.081  2.4452 0.1715088E-01  3.453902  
1 1 1 2  6  25 o 18.664  0.5482 127.699   7.4990  112.684   9.8487   148.416   11.568   17.530  0.7665 20.118  0.7845 -2.587971      1.096821  
1 1 1 2  6  26 o 17.761  0.5482 115.661   7.1367  109.486   9.9306   122.258   10.263   17.277  0.7842 18.257  0.7670 -0.9802246     1.096907  
1 1 1 2  6  27 o 30.971  0.7038 351.839   15.976  344.119   22.039   360.388   23.192   30.618  0.9821 31.331  1.0099 -0.7139301     1.408656  
1 1 1 2  6  28 o 74.537  1.6098 2046.53   87.946  2215.23   143.330  1944.66   111.376  77.258  2.5311 72.530  2.0951 4.728630       3.285691  
1 1 1 2  6  29 o 55.763  1.6273 1146.21   66.511  1202.03   97.243   1097.14   91.173   56.932  2.3303 54.403  2.2864 2.528721       3.264700  
1 1 1 2  6  30 o 12.854  0.5992 60.605    5.6457  66.024    8.0658   55.399    7.9050   13.386  0.8261 12.251  0.8863 1.134375       1.211640  
1 1 1 2  6  31 o 25.187  0.6299 232.770   11.629  234.354   16.511   231.212   16.381   25.256  0.8919 25.087  0.8909 0.1698532      1.260628  
1 1 1 2  6  32 o 45.964  0.9663 777.060   32.556  757.885   44.973   798.171   47.189   45.316  1.3540 46.497  1.3846 -1.181339      1.936641  
1 1 1 2  6  33 o 16.416  0.5852 98.895    7.0406  102.422   10.044   95.489    9.8717   16.694  0.8209 16.097  0.8396 0.5977325      1.174214  
1 1 1 2  7  0  o 188.625 5.2050 13089.13  718.371 12274.47  1347.91  13412.32  848.993  181.624 10.199 190.813 6.0844 0.000000       0.000000  
1 1 1 2  7  1  o 97.734  1.9073 3502.01   136.631 3597.62   177.571  3363.26   213.914  99.046  2.4460 95.747  3.0481 3.298340       3.908190  
1 1 1 2  7  2  o 76.839  1.5046 2164.30   84.739  2131.92   118.453  2198.24   121.275  76.253  2.1194 77.430  2.1369 -1.176620      3.009656  
1 1 1 2  7  3  o 315.970 6.1478 36718.03  1423.80 36493.78  2311.67  36855.10  1807.30  314.081 10.042 316.220 7.7976 -2.139069      12.71360  
1 1 1 2  7  4  o 160.854 3.1329 9489.72   369.364 9287.64   589.074  9620.64   474.151  159.031 5.0537 161.919 3.9952 -2.887924      6.442126  
1 1 1 2  7  5  o 269.535 7.4203 26724.18  1465.94 25779.79  2000.37  27819.74  2154.52  264.269 10.327 274.451 10.710 -10.18222      14.87827  
1 1 1 2  7  6  o 157.561 6.1276 9118.58   707.656 8994.29   987.416  9249.84   1014.70  156.071 8.6658 158.264 8.7818 -2.192612      12.33758  
1 1 1 2  7  7  o 329.994 6.8671 40017.07  1660.95 39981.23  2198.36  40064.74  2535.42  329.507 9.1023 329.592 10.495 -0.8508301E-01 13.89254  
1 1 1 2  7  8  o 321.185 7.2354 37925.56  1703.34 36752.35  2330.72  39270.52  2495.49  315.713 10.072 326.277 10.435 -10.56390      14.50287  
1 1 1 2  7  9  o 353.727 8.0289 46045.80  2081.63 43249.65  2759.40  49738.54  3171.08  342.197 11.002 366.758 11.796 -24.56107      16.13038  
1 1 1 2  7  10 o 148.859 2.8990 8125.74   316.304 8253.14   453.865  8005.43   441.053  149.975 4.1288 147.710 4.0738 2.265427       5.800260  
1 1 1 2  7  11 o 92.490  1.8115 3135.86   122.802 3296.78   182.064  3001.54   166.336  94.819  2.6197 90.476  2.5083 4.343193       3.626846  
1 1 1 2  7  12 o 207.649 4.0830 15829.76  621.434 14801.93  826.107  17169.51  943.160  200.637 5.6175 216.043 5.9561 -15.40649      8.187310  
1 1 1 2  7  13 f 98.342  2.2266 3546.75   160.493 3341.88   214.014  3810.03   242.607  95.431  3.0597 101.888 3.2486 -6.456978      4.462640  
1 1 1 2  7  14 o 87.655  1.9978 2817.87   128.358 2788.15   180.598  2848.21   182.467  87.160  2.8269 88.094  2.8259 -0.9338303     3.997135  
1 1 1 2  7  15 o 29.246  0.6417 313.489   13.756  307.596   19.095   319.847   19.833   28.968  0.8993 29.540  0.9160 -0.5711365     1.283713  
1 1 1 2  7  16 o 77.121  1.7648 2181.54   99.757  2106.28   135.989  2269.22   146.784  75.749  2.4493 78.619  2.5472 -2.870003      3.533784  
1 1 1 2  7  17 o 92.891  1.8338 3165.62   124.854 3203.11   178.302  3129.56   174.888  93.390  2.6048 92.313  2.5847 1.076797       3.669590  
1 1 1 2  7  18 o 189.337 3.9596 13206.04  549.502 12618.87  694.389  14189.79  898.804  184.758 5.1277 195.502 6.2724 -10.74472      8.101580  
1 1 1 2  7  19 o 71.986  1.4344 1900.45   75.684  1927.22   108.086  1874.70   106.011  72.465  2.0350 71.471  2.0237 0.9936905      2.869903  
1 1 1 2  7  20 o 198.009 4.5218 14479.75  656.269 15553.95  998.884  13663.92  870.513  204.304 6.6705 191.707 6.1952 12.59715       9.103613  
1 1 1 2  7  21 o 217.542 4.3105 17480.63  687.308 16669.13  925.990  18476.17  1025.63  211.672 5.9685 222.669 6.2842 -10.99759      8.666820  
1 1 1 2  7  22 o 26.086  0.6177 249.440   11.811  248.038   16.718   250.837   16.687   26.010  0.8769 26.157  0.8704 -0.1464520     1.235546  
1 1 1 2  7  23 o 48.951  1.4205 879.316   50.968  817.844   67.262   962.209   78.107   47.182  1.9450 51.167  2.0826 -3.985817      2.849608  
1 1 1 2  7  24 o 32.135  0.7149 378.619   16.839  384.653   24.094   372.858   23.543   32.383  1.0151 31.883  1.0074 0.5001812      1.430153  
1 1 1 2  7  25 o 86.819  1.8508 2773.44   117.776 3144.72   174.637  2463.70   159.509  92.273  2.5822 81.652  2.6653 10.62092       3.710941  
1 1 1 2  7  26 o 64.888  1.5226 1548.59   72.415  1493.69   100.129  1608.79   104.854  63.615  2.1474 66.016  2.1670 -2.401134      3.050792  
1 1 1 2  7  27 o 16.191  0.5544 96.129    6.5788  86.193    8.9281   107.934   9.7314   15.306  0.7986 17.152  0.7741 -1.845784      1.112192  
1 1 1 2  7  28 o 14.562  0.5784 77.771    6.1739  70.759    8.4951   85.622    8.9881   13.860  0.8402 15.253  0.8068 -1.393822      1.164856  
1 1 1 2  7  29 o 26.510  0.7488 257.882   14.550  249.732   20.195   266.678   20.980   26.070  1.0569 26.940  1.0625 -0.8696518     1.498639  
1 1 1 2  7  30 o 36.932  0.8157 500.766   22.081  553.553   33.859   461.704   29.126   38.791  1.1909 35.434  1.1214 3.356491       1.635782  
1 1 1 2  7  31 o 30.133  0.8162 333.520   18.026  327.375   25.227   339.931   25.766   29.820  1.1542 30.386  1.1569 -0.5661392     1.634222  
1 1 1 2  7  32 o 18.424  0.5833 124.574   7.8770  138.063   11.819   113.792   10.566   19.382  0.8319 17.597  0.8192 1.785185       1.167571  
1 1 1 2  8  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  8  1  o 319.473 7.9025 37580.14  1850.47 35716.98  2267.06  41299.47  3203.11  311.028 9.9445 333.546 13.102 -22.51801      16.44849  
1 1 1 2  8  2  o 400.991 7.8118 59185.27  2295.96 58424.76  3206.13  59985.83  3289.44  397.556 11.003 402.788 11.142 -5.232086      15.65905  
1 1 1 2  8  3  o 224.957 4.3674 18569.40  720.109 18683.92  1182.52  18501.89  907.854  225.410 7.1574 224.463 5.5181 0.9467468      9.037571  
1 1 1 2  8  4  o 310.738 6.0410 35466.75  1375.89 36537.83  2310.98  34878.62  1712.48  314.775 10.016 307.951 7.5869 6.824219       12.56544  
1 1 1 2  8  5  o 558.718 13.850 115713.70 5671.78 115436.50 8943.89  115900.20 7335.38  553.254 22.056 557.017 17.967 -3.762756      28.44758  
1 1 1 2  8  6  o 185.461 4.1780 12618.58  567.934 12159.99  776.302  13146.68  833.057  181.969 5.8204 189.196 6.0073 -7.226212      8.364514  
1 1 1 2  8  7  o 298.779 5.8143 32784.84  1273.30 34401.32  1885.81  31430.41  1726.20  305.700 8.4163 292.256 8.0584 13.44415       11.65208  
1 1 1 2  8  8  o 349.038 6.8003 44785.95  1739.73 44878.30  2471.18  44695.19  2449.68  348.848 9.6647 348.151 9.5998 0.6979065      13.62209  
1 1 1 2  8  9  o 88.628  2.0050 2879.55   130.245 3009.53   191.955  2768.66   177.306  90.592  2.8909 86.893  2.7839 3.699059       4.013385  
1 1 1 2  8  10 o 301.641 5.8905 33442.27  1302.32 32487.20  1795.92  34501.52  1891.31  296.887 8.2531 305.913 8.4350 -9.026764      11.80093  
1 1 1 2  8  11 o 96.790  1.8914 3434.58   134.181 3418.05   188.857  3451.44   190.679  96.539  2.6690 97.009  2.6817 -0.4700623     3.783533  
1 1 1 2  8  12 o 73.122  1.4453 1960.06   77.463  2051.53   114.071  1881.79   105.525  74.798  2.0807 71.638  2.0097 3.159660       2.892785  
1 1 1 2  8  13 o 157.989 3.5543 9167.52   411.592 9224.52   586.094  9112.07   578.144  158.304 5.0512 157.342 5.0132 0.9626465      7.116616  
1 1 1 2  8  14 o 189.213 3.7024 13160.35  513.463 12392.29  683.563  14154.84  777.827  183.363 5.0861 195.894 5.4173 -12.53145      7.430724  
1 1 1 2  8  15 o 81.454  1.6151 2433.17   96.425  2344.84   131.173  2537.01   142.229  79.936  2.2388 83.142  2.3339 -3.206238      3.234123  
1 1 1 2  8  16 o 102.769 2.3443 3877.16   176.585 4191.88   269.771  3641.21   233.579  106.754 3.4477 99.520  3.2022 7.233727       4.705358  
1 1 1 2  8  17 o 114.374 2.5889 4804.79   217.031 4621.75   295.692  5018.56   319.552  112.057 3.6001 116.750 3.7343 -4.692261      5.187062  
1 1 1 2  8  18 o 78.093  1.5441 2236.86   88.382  2166.84   121.383  2315.87   128.940  76.831  2.1555 79.426  2.2149 -2.594543      3.090575  
1 1 1 2  8  19 f 133.272 2.6399 6525.88   257.871 6345.78   355.786  6725.20   374.286  131.258 3.6981 135.110 3.7795 -3.852005      5.287799  
1 1 1 2  8  20 o 97.157  2.7253 3470.09   194.077 3130.02   245.999  4030.66   315.841  92.162  3.6417 104.503 4.1234 -12.34135      5.501296  
1 1 1 2  8  21 o 238.265 4.7147 21021.47  823.365 20046.96  1106.26  22231.71  1232.82  231.594 6.5170 243.597 6.9047 -12.00291      9.494590  
1 1 1 2  8  22 o 61.538  1.2374 1389.09   55.815  1373.13   78.369   1405.53   79.511   61.156  1.7483 61.873  1.7532 -0.7168312     2.475989  
1 1 1 2  8  23 o 62.398  1.4480 1429.10   66.223  1353.95   89.129   1521.73   98.944   60.692  2.0036 64.334  2.0983 -3.641479      2.901232  
1 1 1 2  8  24 o 10.903  0.5751 43.699    4.5797  42.033    6.5650   45.279    6.3918   10.672  0.8462 11.084  0.7920 -0.4113483     1.159029  
1 1 1 2  8  25 o 61.724  1.3426 1399.65   60.743  1280.97   73.786   1649.19   106.994  59.005  1.7061 66.867  2.1831 -7.862072      2.770652  
1 1 1 2  8  26 o 26.304  0.8865 253.910   17.092  273.218   25.395   237.923   23.109   27.267  1.2707 25.447  1.2390 1.820433       1.774720  
1 1 1 2  8  27 o 83.719  1.6757 2583.24   102.829 2389.81   134.422  2856.10   159.657  80.330  2.2830 87.734  2.4828 -7.404198      3.372893  
1 1 1 2  8  28 o 85.424  1.7095 2691.69   107.035 2542.97   142.850  2882.08   161.624  82.790  2.3541 88.067  2.5039 -5.276855      3.436713  
1 1 1 2  8  29 o 47.128  1.2601 817.148   43.527  910.878   74.865   769.286   53.498   49.597  2.0594 45.673  1.5981 3.923779       2.606719  
1 1 1 2  8  30 o 23.849  0.6264 208.677   10.949  246.179   17.096   182.602   14.256   25.887  0.9010 22.297  0.8723 3.590286       1.254088  
1 1 1 2  8  31 o 53.091  1.7975 1045.60   69.948  1015.65   83.335   1117.03   128.684  52.177  2.1790 54.043  3.2639 -1.866356      3.924478  
1 1 1 2  8  32 o 34.698  0.7802 442.394   19.841  417.296   26.950   472.097   29.319   33.656  1.0925 35.794  1.1175 -2.137447      1.562823  
1 1 1 2  9  0  o 98.242  2.7263 3546.09   195.974 3433.29   219.051  3998.47   438.654  96.627  3.1001 103.917 5.8004 -0.000000      0.000000  
1 1 1 2  9  1  o 55.883  1.1128 1144.58   45.582  1126.64   63.920   1163.14   65.020   55.441  1.5730 56.332  1.5747 -0.8910599     2.225771  
1 1 1 2  9  2  o 567.627 11.096 118975.00 4616.64 118026.60 6476.84  119954.50 6582.26  563.248 15.689 567.760 15.817 -4.511719      22.27810  
1 1 1 2  9  3  o 308.738 6.0019 35010.02  1358.18 34195.61  2164.99  35538.53  1744.06  304.583 9.6977 310.844 7.6549 -6.260681      12.35486  
1 1 1 2  9  4  o 158.084 3.0780 9163.93   356.648 8920.86   566.697  9323.34   458.932  155.900 4.9594 159.423 3.9275 -3.523605      6.326169  
1 1 1 2  9  5  o 345.217 7.7817 43846.00  1969.01 45212.55  3502.87  43214.76  2380.73  349.136 13.688 342.400 9.4863 6.736023       16.65409  
1 1 1 2  9  6  o 210.242 5.1776 16228.38  797.860 16694.02  1059.01  15617.11  1213.36  213.100 6.7801 205.983 8.0367 7.116852       10.51468  
1 1 1 2  9  7  o 208.448 5.7294 15961.11  875.368 16206.91  1256.64  15729.40  1220.08  209.793 8.1722 206.693 8.0534 3.099579       11.47359  
1 1 1 2  9  8  o 310.507 6.9962 35469.41  1592.27 34994.32  2225.10  35968.02  2279.51  307.842 9.8614 312.070 9.9657 -4.228302      14.02013  
1 1 1 2  9  9  o 176.123 4.3309 11386.96  559.079 11510.07  893.612  11307.77  716.665  176.847 6.8940 175.414 5.5741 1.433014       8.865515  
1 1 1 2  9  10 o 261.006 5.1033 25037.23  976.298 24233.15  1332.43  25969.37  1434.61  256.442 7.0888 265.410 7.3745 -8.968048      10.22915  
1 1 1 2  9  11 o 149.670 2.9354 8219.25   322.021 7772.24   431.238  8782.71   484.156  145.466 4.0446 154.613 4.2723 -9.147141      5.883111  
1 1 1 2  9  12 o 61.462  1.2239 1384.78   55.137  1421.91   79.846   1350.94   76.229   62.272  1.7493 60.699  1.7134 1.573280       2.448667  
1 1 1 2  9  13 o 165.578 4.5761 10093.57  555.362 10055.16  780.445  10132.97  790.452  164.890 6.4575 165.514 6.5157 -0.6232605     9.173552  
1 1 1 2  9  14 o 90.270  1.7680 2988.78   116.979 2951.23   163.423  3028.24   167.519  89.664  2.4866 90.825  2.5164 -1.160606      3.537736  
1 1 1 2  9  15 o 127.247 2.4916 5945.28   232.385 6135.89   337.628  5773.69   320.337  129.143 3.5669 125.284 3.4884 3.859093       4.989169  
1 1 1 2  9  16 o 128.585 2.5210 6072.40   237.596 5875.27   324.911  6298.97   348.332  126.355 3.5083 130.812 3.6330 -4.457268      5.050392  
1 1 1 2  9  17 o 77.133  1.7602 2182.79   99.516  2175.89   140.269  2189.78   141.211  76.969  2.4863 77.214  2.4951 -0.2446671     3.522432  
1 1 1 2  9  18 o 80.706  1.6079 2389.32   95.115  2590.51   144.794  2236.60   126.150  83.989  2.3521 78.051  2.2051 5.938148       3.224068  
1 1 1 2  9  19 o 75.600  1.5034 2096.49   83.307  2110.60   118.864  2082.86   116.791  75.819  2.1389 75.320  2.1155 0.4985123      3.008373  
1 1 1 2  9  20 o 71.015  1.6309 1850.41   84.890  1898.14   122.832  1806.78   117.453  71.879  2.3315 70.132  2.2849 1.747627       3.264421  
1 1 1 2  9  21 o 50.986  1.0346 953.224   38.662  918.560   52.779   993.360   56.794   50.036  1.4391 52.032  1.4892 -1.995358      2.070921  
1 1 1 2  9  22 o 45.786  1.0179 768.816   34.160  758.083   44.574   784.091   53.176   45.454  1.3379 46.216  1.5698 -0.7625198     2.062594  
1 1 1 2  9  23 o 23.541  0.8229 203.223   14.199  214.156   20.633   193.388   19.570   24.159  1.1652 22.928  1.1684 1.231096       1.650106  
1 1 1 2  9  24 o 25.008  0.6048 229.289   11.086  233.355   15.817   225.364   15.542   25.223  0.8556 24.787  0.8554 0.4356480      1.209871  
1 1 1 2  9  25 o 79.407  1.5839 2320.00   92.184  2330.18   131.097  2310.05   129.652  79.421  2.2520 79.081  2.2368 0.3395081      3.174096  
1 1 1 2  9  26 o 109.890 2.5155 4479.26   202.613 4288.19   274.401  4708.33   300.444  106.922 3.5014 111.916 3.6626 -4.994484      5.066988  
1 1 1 2  9  27 o 57.755  1.1828 1226.16   50.071  1152.96   66.348   1323.00   76.314   55.931  1.6184 59.888  1.7385 -3.956665      2.375247  
1 1 1 2  9  28 f 56.096  1.1487 1156.85   47.231  1167.15   67.044   1146.70   66.549   56.256  1.6260 55.760  1.6283 0.4957161      2.301113  
1 1 1 2  9  29 o 25.906  0.9142 246.502   17.359  263.001   25.858   232.968   23.420   26.726  1.3200 25.126  1.2759 1.600254       1.835858  
1 1 1 2  9  30 o 53.347  1.1834 1047.88   46.271  912.768   61.938   1218.52   69.606   49.665  1.7015 57.399  1.6545 -7.733612      2.373255  
1 1 1 2  9  31 o 18.471  0.6750 125.276   9.1384  119.405   12.653   131.678   13.212   17.990  0.9631 18.895  0.9571 -0.9050941     1.357764  
1 1 1 2  9  32 o 16.693  0.6200 102.294   7.5859  94.832    9.8329   113.264   11.923   16.039  0.8393 17.522  0.9317 -1.482420      1.254028  
1 1 1 2  10 0  o 204.449 5.6354 15369.68  843.029 14754.57  1619.73  15598.21  987.296  199.309 11.168 205.846 6.5588 0.000000       0.000000  
1 1 1 2  10 1  o 444.861 8.6705 72892.03  2827.15 73845.66  4052.11  71987.52  3946.37  446.601 12.379 441.008 12.209 5.593384       17.38647  
1 1 1 2  10 2  f 202.495 3.9318 15043.06  583.561 14726.16  808.296  15388.07  843.381  200.251 5.5070 204.693 5.6214 -4.442123      7.869362  
1 1 1 2  10 3  o 226.506 4.3976 18827.38  730.091 18807.07  1191.54  18839.58  923.823  226.131 7.1890 226.488 5.5650 -0.3571930     9.091221  
1 1 1 2  10 4  o 55.194  1.0877 1116.55   44.003  1116.82   71.880   1116.39   55.650   55.197  1.7767 55.189  1.3757 0.8289337E-02  2.247046  
1 1 1 2  10 5  o 168.109 4.6252 10373.47  569.905 10730.11  1176.65  10264.16  651.412  170.286 9.4646 167.179 5.3161 3.107635       10.85541  
1 1 1 2  10 6  o 203.073 3.9519 15131.90  588.220 14869.31  942.144  15299.64  753.018  201.103 6.3917 204.117 5.0332 -3.014481      8.135569  
1 1 1 2  10 7  o 158.404 3.0903 9203.25   358.790 9807.66   538.690  8721.35   481.008  163.447 4.4966 154.144 4.2574 9.303436       6.192309  
1 1 1 2  10 8  o 33.845  0.6993 419.820   17.349  410.480   24.049   429.955   25.051   33.466  0.9804 34.250  0.9979 -0.7846069     1.398944  
1 1 1 2  10 9  o 65.277  1.4858 1562.04   71.091  1537.37   99.066   1588.24   102.077  64.752  2.0874 65.814  2.1161 -1.062050      2.972343  
1 1 1 2  10 10 o 202.059 4.2122 15001.85  623.834 15113.08  831.548  14858.66  943.485  202.604 5.5996 200.747 6.4122 1.856522       8.513014  
1 1 1 2  10 11 o 100.579 1.9662 3709.98   144.950 3669.18   202.676  3752.69   207.385  99.990  2.7654 101.120 2.7981 -1.129814      3.934072  
1 1 1 2  10 12 f 116.050 2.2677 4941.39   192.889 5240.85   288.574  4699.54   259.335  119.438 3.2964 113.116 3.1279 6.322395       4.544215  
1 1 1 2  10 13 o 111.990 2.5418 4604.40   208.645 4813.52   309.082  4429.33   282.804  114.394 3.6863 109.752 3.5155 4.641815       5.093883  
1 1 1 2  10 14 f 54.154  1.2533 1075.29   49.748  1023.88   67.136   1137.89   74.086   52.832  1.7337 55.693  1.8149 -2.861504      2.509903  
1 1 1 2  10 15 o 114.891 3.1786 4854.44   267.676 4806.83   375.171  4903.80   382.024  114.130 4.4849 115.269 4.5216 -1.138931      6.368609  
1 1 1 2  10 16 o 34.513  0.9306 436.677   23.542  478.291   32.955   393.308   33.642   36.116  1.2449 32.748  1.4016 3.367779       1.874625  
1 1 1 2  10 17 o 58.570  1.3683 1258.08   58.739  1259.10   83.536   1257.08   82.611   58.572  1.9458 58.526  1.9258 0.4602051E-01  2.737667  
1 1 1 2  10 18 o 110.395 2.1777 4474.80   176.209 4639.08   256.710  4328.44   242.308  112.290 3.1190 108.475 3.0476 3.815186       4.360760  
1 1 1 2  10 19 o 183.849 3.6408 12461.42  490.620 13000.69  721.308  11997.13  669.291  187.182 5.2575 179.887 5.0761 7.294434       7.308083  
1 1 1 2  10 20 o 41.330  0.9962 626.339   30.177  591.372   40.368   670.632   45.433   40.151  1.3717 42.755  1.4498 -2.603683      1.995873  
1 1 1 2  10 21 o 146.904 2.8860 7951.38   310.751 7834.54   434.489  8073.74   444.622  145.435 4.0760 147.625 4.1091 -2.190735      5.787772  
1 1 1 2  10 22 o 89.411  1.7691 2937.05   115.935 2806.68   157.238  3092.36   171.619  87.303  2.4572 91.621  2.5556 -4.317596      3.545273  
1 1 1 2  10 23 o 37.804  0.8069 524.128   22.358  486.263   29.479   575.409   34.306   36.402  1.1048 39.595  1.1821 -3.192715      1.618017  
1 1 1 2  10 24 o 26.673  0.6766 260.903   13.229  244.548   16.550   289.847   22.015   25.818  0.8746 28.100  1.0689 -2.282124      1.381087  
1 1 1 2  10 25 o 77.406  1.5484 2205.10   87.847  2302.31   129.189  2121.49   119.809  78.914  2.2335 75.774  2.1572 3.140083       3.105173  
1 1 1 2  10 26 o 40.656  0.8580 606.710   25.567  592.888   35.351   621.867   37.020   40.160  1.2010 41.126  1.2281 -0.9668274     1.717716  
1 1 1 2  10 27 o 24.997  0.6219 229.203   11.395  225.162   16.018   233.344   16.215   24.764  0.8825 25.210  0.8775 -0.4462204     1.244483  
1 1 1 2  10 28 o 5.4287  1.0724 11.211    4.1160  14.948    5.8592   7.5704    5.7832   6.2558  1.3194 4.6105  1.4963 1.645270       1.994925  
1 1 1 2  10 29 o 14.437  0.6628 76.482    7.0131  70.569    9.6449   83.116    10.216   13.825  0.9577 15.011  0.9331 -1.186607      1.337143  
1 1 1 2  10 30 o 33.570  0.7512 413.897   18.482  410.204   26.006   417.666   26.272   33.384  1.0628 33.686  1.0640 -0.3021011     1.503930  
1 1 1 2  10 31 o 3.9819  1.2762 5.7100    4.2170  8.1864    6.0394   3.3540    5.8908   4.7599  1.5275 3.8013  1.4761 0.9585094      2.124197  
1 1 1 2  11 0  o 113.613 3.1368 4743.12   260.764 4892.85   537.204  4696.97   298.259  114.920 6.4236 113.008 3.6092 0.000000       0.000000  
1 1 1 2  11 1  o 375.418 7.3195 51868.84  2014.08 52171.63  2863.35  51572.34  2833.57  375.710 10.398 373.561 10.349 2.149261       14.67013  
1 1 1 2  11 2  o 55.269  1.0913 1119.57   44.210  1096.80   70.935   1134.04   56.533   54.700  1.7693 55.623  1.3866 -0.9234924     2.247915  
1 1 1 2  11 3  o 188.669 3.6648 13059.72  506.790 13268.47  840.684  12940.55  635.179  189.991 6.0370 187.745 4.6158 2.245468       7.599377  
1 1 1 2  11 4  o 113.505 2.2128 4723.52   184.095 4700.58   299.587  4737.44   233.350  113.189 3.6111 113.658 2.8011 -0.4684067     4.570119  
1 1 1 2  11 5  o 265.335 5.9642 25885.97  1159.91 26405.75  2049.78  25641.13  1406.81  267.076 10.471 263.866 7.2740 3.209564       12.74969  
1 1 1 2  11 6  o 180.764 3.5139 11990.16  465.566 11810.11  749.448  12103.31  594.105  179.216 5.7054 181.544 4.4648 -2.328262      7.244692  
1 1 1 2  11 7  o 131.558 2.5641 6347.83   247.248 6229.33   343.373  6475.44   356.310  130.275 3.5960 132.820 3.6600 -2.544891      5.130993  
1 1 1 2  11 8  o 261.741 5.0922 25198.18  976.925 24990.90  1370.73  25412.14  1392.69  260.195 7.1874 262.365 7.2422 -2.169342      10.20333  
1 1 1 2  11 9  o 172.235 3.8695 10898.65  488.493 10795.87  684.392  11005.40  697.461  171.212 5.4537 172.858 5.5049 -1.645523      7.748984  
1 1 1 2  11 10 o 165.023 3.7153 10007.91  449.388 9697.59   616.370  10360.05  656.596  162.233 5.1835 167.654 5.3432 -5.421494      7.444357  
1 1 1 2  11 11 o 150.087 2.9252 8272.60   321.793 8392.56   461.742  8159.32   448.707  151.009 4.1717 148.905 4.1112 2.104080       5.857090  
1 1 1 2  11 12 o 122.820 2.7689 5540.38   249.264 5496.22   349.489  5586.11   355.615  122.198 3.9020 123.188 3.9385 -0.9902115     5.544132  
1 1 1 2  11 13 o 26.470  0.6813 256.825   13.219  252.566   18.435   261.332   18.965   26.248  0.9582 26.700  0.9691 -0.4514866     1.362816  
1 1 1 2  11 14 o 129.715 2.5364 6180.57   241.147 6052.17   333.404  6321.44   349.211  128.220 3.5476 131.026 3.6362 -2.806427      5.080114  
1 1 1 2  11 15 o 71.800  1.4190 1890.71   74.678  1844.29   103.082  1941.99   108.334  70.887  1.9840 72.738  2.0320 -1.850792      2.839912  
1 1 1 2  11 16 o 88.479  1.7397 2872.42   112.823 2913.20   161.784  2833.82   157.419  89.051  2.4786 87.832  2.4452 1.218712       3.481789  
1 1 1 2  11 17 o 64.452  1.4825 1523.75   70.036  1501.24   97.642   1547.61   100.513  63.946  2.0833 64.924  2.1122 -0.9784279     2.966705  
1 1 1 2  11 18 o 52.134  1.0570 996.583   40.389  938.411   53.922   1070.93   60.960   50.578  1.4545 54.028  1.5394 -3.450169      2.117873  
1 1 1 2  11 19 o 34.005  0.8440 423.921   21.035  461.848   31.927   394.827   27.963   35.486  1.2275 32.812  1.1627 2.674374       1.690738  
1 1 1 2  11 20 f 22.065  0.5684 178.461   9.1933  179.172   12.953   177.740   13.050   22.107  0.7994 22.018  0.8086 0.8860207E-01  1.137077  
1 1 1 2  11 21 o 34.549  0.7487 437.629   18.958  410.302   25.412   471.930   28.470   33.446  1.0366 35.869  1.0829 -2.422607      1.499078  
1 1 1 2  11 22 o 117.866 2.3329 5118.46   201.538 5225.90   289.339  5017.20   280.884  118.772 3.3236 116.388 3.2926 2.384125       4.678413  
1 1 1 2  11 23 o 13.431  0.5364 66.131    5.2801  63.715    7.3596   68.695    7.5798   13.158  0.7664 13.665  0.7598 -0.5066729     1.079205  
1 1 1 2  11 24 o 35.670  0.9032 466.953   23.614  493.616   34.636   443.797   32.278   36.648  1.2894 34.751  1.2673 1.896832       1.807917  
1 1 1 2  11 25 o 44.281  1.2962 721.110   42.070  694.782   57.306   751.885   61.957   43.395  1.8017 45.131  1.8730 -1.735889      2.598873  
1 1 1 2  11 26 o 12.693  0.8940 59.449    8.2646  60.852    13.315   58.569    10.541   12.774  1.4476 12.570  1.1571 0.2045774      1.853279  
1 1 1 2  11 27 f 17.596  0.7598 113.634   9.7991  126.540   14.377   102.438   13.391   18.525  1.0633 16.657  1.1031 1.868113       1.532159  
1 1 1 2  11 28 o 20.094  0.7983 148.248   11.758  149.256   16.433   147.191   16.831   20.114  1.1191 19.970  1.1548 0.1442966      1.608100  
1 1 1 2  11 29 o 50.214  1.2099 928.771   44.530  1018.59   68.685   863.639   58.488   52.429  1.7873 48.316  1.6516 4.113434       2.433581  
1 1 1 2  11 30 o 27.977  0.7666 287.583   15.721  278.892   21.722   297.143   22.781   27.517  1.0770 28.400  1.0944 -0.8837605     1.535451  
1 1 1 2  11 31 o 4.5422  1.2700 7.8350    4.3927  7.4300    6.2226   8.2373    6.2018   4.6237  1.5541 4.7857  1.5492 -0.1620898     2.194334  
1 1 1 2  12 0  o 81.360  2.2551 2432.08   134.247 2254.29   249.089  2504.87   159.375  78.024  4.3873 82.533  2.6407 0.000000       0.000000  
1 1 1 2  12 1  o 63.486  1.2627 1477.32   58.758  1460.61   82.447   1494.56   83.763   63.121  1.7821 63.850  1.7898 -0.7291718     2.525703  
1 1 1 2  12 2  o 246.263 5.1245 22286.61  924.983 21252.15  1649.70  22760.93  1117.10  239.706 9.3896 248.723 6.1277 -9.017654      11.21217  
1 1 1 2  12 3  o 78.626  1.5364 2266.20   88.540  2244.04   175.682  2273.74   102.511  78.211  3.0646 78.753  1.7759 -0.5427780     3.542015  
1 1 1 2  12 4  o 145.284 3.0206 7743.85   321.658 7613.97   483.178  7847.21   431.056  143.958 4.5792 146.189 4.0229 -2.230042      6.095308  
1 1 1 2  12 5  o 49.294  1.1267 890.644   40.707  866.069   68.701   903.939   50.532   48.601  1.9286 49.658  1.3884 -1.057091      2.376332  
1 1 1 2  12 6  o 120.564 2.3465 5331.46   207.360 5258.62   334.185  5377.06   264.418  119.658 3.8103 121.049 2.9802 -1.390816      4.837415  
1 1 1 2  12 7  o 88.532  1.7326 2873.92   112.429 3040.61   193.742  2789.29   138.052  91.022  2.9040 87.207  2.1598 3.815002       3.619115  
1 1 1 2  12 8  o 59.280  1.1733 1288.21   50.978  1356.83   75.493   1230.69   69.116   60.830  1.6932 57.934  1.6277 2.895206       2.348675  
1 1 1 2  12 9  o 138.074 2.6875 6998.48   271.981 7063.39   388.090  6935.84   381.280  138.595 3.8204 137.342 3.7876 1.253128       5.379660  
1 1 1 2  12 10 o 118.700 2.9309 5175.65   254.995 5183.49   403.976  5170.46   328.766  118.580 4.6480 118.548 3.7837 0.3224945E-01  5.993288  
1 1 1 2  12 11 o 54.762  1.0918 1099.44   43.822  1074.25   60.646   1126.96   63.394   54.122  1.5288 55.433  1.5603 -1.311169      2.184407  
1 1 1 2  12 12 o 77.973  1.7684 2230.51   101.063 2187.38   140.166  2277.20   145.854  77.175  2.4779 78.741  2.5272 -1.565331      3.539316  
1 1 1 2  12 13 f 78.112  1.5359 2238.05   87.936  2211.23   122.948  2266.14   125.822  77.609  2.1614 78.565  2.1850 -0.9562073     3.073370  
1 1 1 2  12 14 o 64.351  1.2751 1518.57   60.144  1525.35   85.470   1511.93   84.650   64.473  1.8086 64.190  1.7992 0.2838516      2.551130  
1 1 1 2  12 15 o 22.810  0.5572 190.705   9.3159  182.754   12.813   199.620   13.568   22.328  0.7829 23.336  0.7933 -1.007460      1.114575  
1 1 1 2  12 16 o 95.154  1.8682 3323.14   130.295 3358.66   186.021  3288.94   182.557  95.589  2.6551 94.594  2.6330 0.9950790      3.739271  
1 1 1 2  12 17 o 77.781  1.7826 2220.46   101.628 2301.91   149.361  2150.24   138.681  79.131  2.5752 76.489  2.4736 2.642052       3.570795  
1 1 1 2  12 18 o 38.911  0.8199 555.061   23.383  541.654   32.263   569.896   33.939   38.432  1.1453 39.420  1.1746 -0.9884949     1.640573  
1 1 1 2  12 19 o 70.909  2.0051 1847.23   104.214 2140.38   167.957  1663.72   132.888  76.212  3.0067 67.228  2.6968 8.983994       4.038954  
1 1 1 2  12 20 o 36.935  0.7865 500.190   21.293  508.375   30.497   492.405   29.744   37.227  1.1177 36.638  1.1076 0.5890923      1.573526  
1 1 1 2  12 21 o 62.045  1.2490 1412.84   56.802  1348.13   76.743   1491.23   84.471   60.567  1.7287 63.692  1.8094 -3.124973      2.502512  
1 1 1 2  12 22 o 69.559  1.3902 1777.48   70.876  1780.14   100.376  1774.83   100.093  69.528  1.9697 69.424  1.9670 0.1033249      2.783657  
1 1 1 2  12 23 o 30.659  0.6848 344.741   15.389  352.207   22.118   337.736   21.425   30.977  0.9742 30.334  0.9636 0.6425285      1.370234  
1 1 1 2  12 24 o 38.275  0.9460 537.845   26.539  530.251   37.075   545.826   38.006   37.971  1.3321 38.524  1.3460 -0.5522194     1.893744  
1 1 1 2  12 25 o 39.019  1.1794 559.792   33.729  491.790   42.194   680.169   56.139   36.526  1.5760 42.921  1.7845 -6.394661      2.380826  
1 1 1 2  12 26 o 8.4366  0.7205 26.310    4.4126  29.318    6.2267   23.275    6.2542   8.8808  0.9725 7.8795  1.1140 1.001258       1.478723  
1 1 1 2  12 27 o 23.519  0.5966 202.926   10.285  200.871   14.425   205.051   14.668   23.388  0.8414 23.630  0.8469 -0.2418041     1.193839  
1 1 1 2  12 28 o 33.210  0.7435 404.921   18.098  426.228   26.631   386.636   24.670   34.040  1.0674 32.424  1.0381 1.616249       1.488910  
1 1 1 2  12 29 o 19.559  0.5839 140.398   8.3702  142.949   11.942   137.936   11.735   19.722  0.8261 19.373  0.8264 0.3489094      1.168533  
1 1 1 2  12 30 o 27.902  0.9362 286.542   19.147  304.254   28.075   271.140   26.181   28.689  1.3351 27.085  1.3188 1.603294       1.876654  
1 1 1 2  13 0  o 16.825  0.7749 104.406   9.5101  98.129    12.899   111.882   14.076   16.253  1.0942 17.365  1.1165 -0.000000      0.000000  
1 1 1 2  13 1  f 136.100 2.6483 6795.61   264.184 6902.00   379.525  6695.61   367.968  137.086 3.7772 135.025 3.7180 2.060608       5.300080  
1 1 1 2  13 2  o 25.797  0.5844 243.896   11.050  286.176   23.879   232.377   12.464   27.941  1.1660 25.180  0.6754 2.761198       1.347453  
1 1 1 2  13 3  o 179.960 3.4981 11892.62  461.411 11636.40  903.322  11983.07  536.709  177.486 6.9438 180.580 4.0550 -3.094650      8.041113  
1 1 1 2  13 4  o 148.263 3.3385 8071.79   362.800 8377.85   651.794  7934.40   436.703  150.733 5.8996 146.927 4.0551 3.806274       7.158846  
1 1 1 2  13 5  o 35.661  0.8336 466.116   21.788  454.092   36.947   472.527   26.979   35.193  1.4323 35.904  1.0252 -0.7107162     1.761387  
1 1 1 2  13 6  o 14.651  0.4233 78.669    4.5462  80.386    9.1694   78.110    5.2349   14.785  0.8497 14.599  0.4892 0.1860132      0.9804902 
1 1 1 2  13 7  o 163.877 3.1948 9866.53   383.746 9756.17   620.552  9934.86   488.308  162.624 5.2061 164.318 4.0544 -1.694885      6.598619  
1 1 1 2  13 8  o 119.615 2.3309 5251.39   204.354 5225.18   332.035  5267.37   259.277  119.167 3.8014 119.742 2.9542 -0.5747910     4.814360  
1 1 1 2  13 9  o 25.890  0.5690 245.676   10.797  243.384   15.108   248.069   15.436   25.768  0.7999 26.015  0.8095 -0.2467461     1.138080  
1 1 1 2  13 10 o 60.915  1.3953 1360.78   62.300  1345.29   87.181   1376.95   89.059   60.548  1.9645 61.255  1.9836 -0.7073631     2.791732  
1 1 1 2  13 11 o 181.505 3.5483 12130.47  472.052 12088.30  664.500  12173.44  670.709  180.765 5.0153 181.390 5.0448 -0.6254883     7.113594  
1 1 1 2  13 12 o 51.194  1.4436 961.262   54.168  929.242   74.135   997.938   79.340   50.314  2.0103 52.138  2.0761 -1.823860      2.889899  
1 1 1 2  13 13 o 78.784  1.5517 2277.00   89.606  2362.04   130.926  2202.08   122.900  80.200  2.2273 77.441  2.1652 2.758850       3.106261  
1 1 1 2  13 14 o 30.210  0.6558 334.522   14.520  330.930   20.291   338.292   20.787   30.044  0.9214 30.377  0.9336 -0.3322163     1.311739  
1 1 1 2  13 15 o 100.124 1.9605 3680.18   143.877 3647.12   201.701  3714.44   205.292  99.589  2.7632 100.501 2.7869 -0.9120560     3.924584  
1 1 1 2  13 16 o 59.474  1.1869 1297.17   51.739  1314.77   73.994   1280.34   72.373   59.855  1.6866 59.066  1.6717 0.7881851      2.374706  
1 1 1 2  13 17 o 20.389  0.5422 152.372   8.1030  136.624   10.619   174.323   12.537   19.305  0.7505 21.806  0.7844 -2.501101      1.085573  
1 1 1 2  13 18 o 34.221  0.8543 429.378   21.428  450.927   31.541   410.905   29.203   35.061  1.2274 33.470  1.1904 1.591141       1.709803  
1 1 1 2  13 19 o 21.067  0.6354 162.696   9.8108  161.040   13.684   164.448   14.073   20.956  0.8909 21.176  0.9067 -0.2203655     1.271142  
1 1 1 2  13 20 o 115.484 2.2677 4911.06   191.949 5073.29   279.931  4767.10   263.708  117.077 3.2621 113.521 3.1693 3.556686       4.548179  
1 1 1 2  13 21 o 72.274  1.4380 1919.14   76.175  1981.70   110.972  1863.39   104.753  73.345  2.0643 71.131  2.0092 2.213493       2.880634  
1 1 1 2  13 22 o 61.821  1.2420 1404.06   56.280  1401.85   79.296   1406.30   79.891   61.697  1.7535 61.793  1.7639 -0.9592056E-01 2.487182  
1 1 1 2  13 23 o 48.706  0.9998 871.108   35.691  854.763   49.540   888.747   51.464   48.200  1.4023 49.145  1.4287 -0.9451981     2.001867  
1 1 1 2  13 24 o 63.832  1.6349 1502.79   76.491  1340.08   108.194  1665.38   108.155  60.038  2.4586 67.024  2.2016 -6.986057      3.300284  
1 1 1 2  13 25 o 26.436  0.7276 256.477   14.099  256.168   19.838   256.791   20.041   26.403  1.0251 26.434  1.0344 -0.3143501E-01 1.456255  
1 1 1 2  13 26 o 28.103  0.6571 289.787   13.536  269.645   18.100   315.341   20.388   27.093  0.9115 29.296  0.9495 -2.202919      1.316182  
1 1 1 2  13 27 o 28.034  0.6585 288.413   13.530  310.065   20.219   270.853   18.208   29.045  0.9497 27.149  0.9150 1.895857       1.318800  
1 1 1 2  13 28 o 40.164  0.8594 592.891   25.300  591.138   35.735   594.652   35.825   40.047  1.2174 40.166  1.2169 -0.1189308     1.721319  
1 1 1 2  13 29 o 10.822  0.6512 43.165    5.1417  47.968    7.3238   38.497    7.2203   11.385  0.8846 10.179  0.9798 1.205994       1.320068  
1 1 1 2  13 30 o 19.392  0.6387 138.111   9.0787  137.813   13.885   138.334   11.999   19.317  0.9839 19.392  0.8442 -0.7430077E-01 1.296448  
1 1 1 2  14 0  o 126.419 3.4910 5878.35   322.922 5714.94   627.938  5937.10   376.526  123.964 6.9612 126.970 4.0552 0.000000       0.000000  
1 1 1 2  14 1  o 130.504 2.5415 6250.80   243.110 6048.66   332.960  6481.61   355.793  128.289 3.5410 132.788 3.6556 -4.499573      5.089371  
1 1 1 2  14 2  o 145.059 2.8238 7725.89   300.238 7731.88   490.853  7722.32   379.512  144.890 4.6220 144.945 3.5722 -0.5513000E-01 5.841588  
1 1 1 2  14 3  o 142.042 2.7643 7407.93   287.800 7053.16   548.514  7542.70   338.074  138.234 5.4137 143.281 3.2192 -5.046844      6.298480  
1 1 1 2  14 4  o 120.756 2.7161 5354.33   240.397 5031.16   554.255  5429.21   266.799  116.345 6.5259 121.572 2.9941 -5.227478      7.179945  
1 1 1 2  14 5  o 50.159  0.9962 922.287   36.626  871.297   56.773   958.637   47.935   48.742  1.5891 51.133  1.2790 -2.391064      2.039892  
1 1 1 2  14 6  o 119.841 2.3345 5272.19   205.056 5192.41   329.904  5322.42   261.763  118.769 3.7897 120.349 2.9675 -1.580002      4.813278  
1 1 1 2  14 7  o 41.012  0.8263 616.551   24.837  626.379   41.391   611.020   31.048   41.329  1.3664 40.825  1.0376 0.5044861      1.715683  
1 1 1 2  14 8  o 53.792  1.0680 1060.87   42.110  1015.40   66.161   1091.84   54.597   52.610  1.7157 54.564  1.3652 -1.954674      2.192583  
1 1 1 2  14 9  o 79.698  1.5617 2330.00   91.230  2316.11   128.311  2344.20   129.739  79.423  2.2041 79.902  2.2153 -0.4794693     3.125009  
1 1 1 2  14 10 o 39.087  0.9293 560.115   26.623  579.152   38.729   543.061   36.658   39.739  1.3297 38.481  1.2997 1.257496       1.859352  
1 1 1 2  14 11 o 104.229 2.3558 3990.78   179.973 4008.24   255.824  3973.68   253.236  104.331 3.3454 103.883 3.3258 0.4478149      4.717269  
1 1 1 2  14 12 o 68.249  1.5532 1708.86   77.699  1723.60   110.686  1694.54   109.098  68.506  2.2044 67.927  2.1913 0.5790176      3.108183  
1 1 1 2  14 13 o 131.006 2.5579 6308.45   245.615 6403.21   352.578  6219.10   342.351  131.785 3.6501 129.888 3.5960 1.896820       5.123963  
1 1 1 2  14 14 o 107.901 2.1135 4275.89   167.153 4300.18   237.221  4251.93   235.567  108.092 2.9942 107.484 2.9901 0.6074600      4.231554  
1 1 1 2  14 15 o 106.785 2.0918 4188.58   163.727 4108.88   227.167  4274.72   236.187  105.648 2.9336 107.750 2.9906 -2.101471      4.189243  
1 1 1 2  14 16 o 75.935  1.4990 2115.84   83.430  2071.45   115.494  2164.29   120.649  75.088  2.0985 76.748  2.1447 -1.660004      3.000602  
1 1 1 2  14 17 o 103.662 2.0385 3948.82   154.888 4060.83   225.193  3848.26   213.375  104.970 2.9269 102.201 2.8484 2.769257       4.084149  
1 1 1 2  14 18 o 45.174  1.0792 748.572   35.732  772.404   51.842   727.006   49.317   45.865  1.5421 44.498  1.5121 1.366604       2.159747  
1 1 1 2  14 19 o 79.997  1.5803 2350.90   92.659  2311.25   128.820  2393.40   133.378  79.228  2.2183 80.617  2.2572 -1.389191      3.164822  
1 1 1 2  14 20 o 101.052 1.9878 3760.65   147.229 3704.47   205.236  3820.21   211.323  100.056 2.7985 101.593 2.8379 -1.537193      3.985678  
1 1 1 2  14 21 o 46.893  0.9626 807.054   33.086  811.143   47.000   803.036   46.584   46.976  1.3650 46.741  1.3597 0.2348289      1.926709  
1 1 1 2  14 22 o 103.717 2.0552 3975.91   156.238 4142.66   229.893  3832.77   212.984  105.382 2.9763 101.429 2.8649 3.952568       4.131095  
1 1 1 2  14 23 o 25.443  0.6259 237.458   11.672  220.777   15.782   257.600   17.342   24.522  0.8781 26.487  0.8933 -1.965286      1.252555  
1 1 1 2  14 24 o 19.504  0.6734 139.579   9.6270  156.679   14.263   125.271   13.047   20.652  0.9423 18.440  0.9687 2.212147       1.351381  
1 1 1 2  14 25 o 11.578  0.6106 49.316    5.1636  48.247    7.2006   50.447    7.4089   11.429  0.8660 11.688  0.8711 -0.2586060     1.228335  
1 1 1 2  14 26 o 22.057  0.5953 178.492   9.6240  183.779   13.709   173.355   13.514   22.369  0.8362 21.724  0.8487 0.6443939      1.191397  
1 1 1 2  14 27 o 14.374  0.5645 75.804    5.9476  82.363    8.5293   69.597    8.2977   14.954  0.7809 13.738  0.8279 1.215729       1.138063  
1 1 1 2  14 28 o 31.307  0.7168 360.074   16.449  360.908   23.185   359.229   23.340   31.306  1.0104 31.232  1.0196 0.7426453E-01  1.435436  
1 1 1 2  14 29 o 11.583  0.9161 49.697    7.7137  45.348    10.778   54.265    11.045   10.985  1.3682 12.050  1.2696 -1.064937      1.866500  
1 1 1 2  15 0  o 36.379  1.4664 487.534   38.956  479.896   54.272   495.651   55.950   35.996  2.0727 36.583  2.1025 0.000000       0.000000  
1 1 1 2  15 1  o 54.893  1.0823 1104.73   43.546  1125.81   62.660   1085.04   60.559   55.403  1.5430 54.392  1.5190 1.011646       2.165275  
1 1 1 2  15 2  o 228.692 4.4651 19296.23  748.451 19047.23  1206.71  19451.91  954.159  225.956 7.2861 229.138 5.6812 -3.181580      9.239259  
1 1 1 2  15 3  o 157.566 3.8910 9146.20   449.371 9463.30   734.590  8956.58   568.058  159.609 6.2793 155.666 4.9787 3.942795       8.013541  
1 1 1 2  15 4  o 106.154 3.3913 4146.67   263.867 4089.39   450.697  4176.54   325.481  104.828 5.8897 106.424 4.1726 -1.595985      7.217957  
1 1 1 2  15 5  o 155.232 3.0273 8861.30   344.444 8717.87   677.271  8911.34   400.044  153.196 6.0316 155.579 3.5081 -2.382736      6.977659  
1 1 1 2  15 6  o 115.729 2.2629 4918.21   191.946 4823.10   307.431  4978.97   245.726  114.418 3.6658 116.369 2.8809 -1.951088      4.662420  
1 1 1 2  15 7  o 116.359 2.2738 4972.70   193.923 5045.05   320.794  4931.03   243.439  116.988 3.7411 115.797 2.8682 1.190659       4.714110  
1 1 1 2  15 8  o 66.234  1.3028 1608.94   63.248  1615.71   103.918  1604.95   79.712   66.332  2.1374 66.138  1.6443 0.1944580      2.696732  
1 1 1 2  15 9  o 120.395 2.3514 5325.28   207.497 5456.14   346.481  5252.11   259.097  121.604 3.8873 119.478 2.9586 2.125633       4.885173  
1 1 1 2  15 10 o 21.940  0.5149 176.433   8.2807  169.381   11.279   184.678   12.196   21.496  0.7159 22.445  0.7413 -0.9494724     1.030555  
1 1 1 2  15 11 o 101.436 2.5256 3782.18   187.778 3811.56   297.943  3762.82   241.858  101.599 4.0010 101.074 3.2647 0.5247879      5.163883  
1 1 1 2  15 12 o 36.913  0.8800 499.544   23.809  523.544   34.956   478.775   32.519   37.782  1.2623 36.131  1.2279 1.650753       1.761008  
1 1 1 2  15 13 o 88.529  1.7360 2876.72   112.647 2938.51   162.512  2819.57   156.284  89.402  2.4800 87.579  2.4346 1.822922       3.475330  
1 1 1 2  15 14 o 99.573  1.9535 3641.45   142.574 3851.36   212.669  3470.10   192.148  102.281 2.8368 97.107  2.6996 5.173851       3.916045  
1 1 1 2  15 15 o 106.478 2.0880 4166.01   162.954 4038.48   223.519  4310.68   238.072  104.704 2.9125 108.158 3.0031 -3.453590      4.183448  
1 1 1 2  15 16 o 14.828  0.5032 80.592    5.4693  82.291    7.9178   79.042    7.5639   14.982  0.7210 14.683  0.7028 0.2986298      1.006892  
1 1 1 2  15 17 o 14.069  0.5056 72.557    5.2135  76.519    7.5031   68.858    7.2494   14.447  0.7086 13.685  0.7253 0.7615595      1.013996  
1 1 1 2  15 18 o 48.265  1.3900 855.398   49.174  933.592   75.184   796.945   65.005   50.367  2.0366 46.547  1.9054 3.819607       2.788917  
1 1 1 2  15 19 o 13.218  0.5333 64.054    5.1666  63.042    7.2225   65.115    7.3940   13.089  0.7561 13.303  0.7615 -0.2137718     1.073069  
1 1 1 2  15 20 o 30.261  0.6777 335.851   15.031  341.630   21.534   330.361   20.991   30.508  0.9630 30.001  0.9546 0.5069923      1.355921  
1 1 1 2  15 21 o 26.233  0.6190 252.408   11.901  248.254   16.584   256.818   17.090   26.006  0.8700 26.451  0.8815 -0.4442005     1.238537  
1 1 1 2  15 22 o 43.358  0.9049 690.337   28.758  708.035   41.430   673.880   39.951   43.866  1.2886 42.797  1.2736 1.069107       1.811750  
1 1 1 2  15 23 o 43.113  0.8996 682.698   28.426  701.744   41.108   665.245   39.352   43.659  1.2846 42.512  1.2629 1.147335       1.801407  
1 1 1 2  15 24 o 29.671  1.3247 324.333   28.809  349.571   42.823   303.467   38.937   30.658  1.9153 28.567  1.8699 2.091211       2.676698  
1 1 1 2  15 25 o 62.656  1.2632 1446.24   58.013  1428.42   81.019   1464.98   83.106   62.111  1.7797 62.892  1.8028 -0.7813454     2.533259  
1 1 1 2  15 26 o 27.901  0.6700 285.783   13.701  284.165   19.413   287.388   19.339   27.798  0.9528 27.957  0.9438 -0.1580715     1.341092  
1 1 1 2  15 27 o 13.428  0.6036 66.192    5.9403  62.359    8.1728   70.485    8.6493   12.993  0.8631 13.818  0.8582 -0.8247547     1.217153  
1 1 1 2  15 28 o 17.711  0.5994 115.187   7.7817  114.103   10.969   116.286   11.041   17.610  0.8498 17.778  0.8473 -0.1679211     1.200074  
1 1 1 2  15 29 o 18.398  0.8005 124.510   10.795  124.407   15.038   124.619   15.506   18.323  1.1251 18.333  1.1599 -0.9428024E-02 1.615966  
1 1 1 2  16 0  o 21.751  0.7775 174.070   12.360  183.461   15.941   159.915   19.571   22.308  0.9792 20.765  1.2975 -0.000000      0.000000  
1 1 1 2  16 1  o 84.169  1.6432 2599.28   101.374 2576.04   142.083  2623.39   144.680  83.744  2.3148 84.508  2.3358 -0.7643814     3.288467  
1 1 1 2  16 2  o 162.239 4.5090 9731.39   536.183 9432.16   599.829  10921.25  1196.10  159.520 5.1302 168.969 9.6985 -9.449005      10.97173  
1 1 1 2  16 3  o 40.617  1.1560 604.955   34.415  577.093   46.741   637.944   50.860   39.660  1.6079 41.696  1.6642 -2.036846      2.314049  
1 1 1 2  16 4  f 86.318  3.3865 2744.80   214.255 2787.91   307.862  2704.31   298.366  86.622  4.8687 85.328  4.7900 1.293854       6.829941  
1 1 1 2  16 5  o 81.821  2.2685 2459.32   136.049 2470.72   193.489  2448.18   191.334  81.912  3.2228 81.540  3.2014 0.3719559      4.542594  
1 1 1 2  16 6  o 171.807 3.3605 10875.30  423.178 10758.63  685.287  10947.21  538.013  170.130 5.4956 172.096 4.2652 -1.966034      6.956528  
1 1 1 2  16 7  o 14.186  0.4006 73.762    4.1660  74.898    7.0572   73.154    5.1612   14.294  0.6736 14.128  0.4984 0.1666336      0.8379423 
1 1 1 2  16 8  o 82.799  1.6204 2515.69   98.341  2502.96   160.062  2523.42   124.641  82.501  2.6470 82.894  2.0514 -0.3931427     3.348860  
1 1 1 2  16 9  o 76.812  1.5074 2164.70   84.867  2191.81   140.290  2149.05   106.580  77.216  2.4788 76.508  1.9006 0.7084961      3.123554  
1 1 1 2  16 10 o 48.449  0.9698 860.658   34.439  850.215   55.751   867.102   43.793   48.135  1.5802 48.623  1.2288 -0.4879646     2.001755  
1 1 1 2  16 11 o 52.770  1.4865 1021.74   57.495  1033.42   82.174   1010.53   80.474   53.039  2.1138 52.449  2.0933 0.5892754      2.974901  
1 1 1 2  16 12 o 34.374  0.7762 433.178   19.556  429.826   25.627   437.852   30.260   34.237  1.0212 34.551  1.1949 -0.3143196     1.571829  
1 1 1 2  16 13 o 26.354  0.5930 254.589   11.455  271.910   16.974   240.103   15.523   27.233  0.8504 25.591  0.8276 1.641979       1.186616  
1 1 1 2  16 14 o 24.838  0.5731 226.139   10.432  240.306   15.439   214.236   14.152   25.601  0.8228 24.173  0.7988 1.428219       1.146732  
1 1 1 2  16 15 o 43.224  0.8831 685.115   27.979  685.513   39.569   684.718   39.568   43.223  1.2490 43.198  1.2497 0.2510452E-01  1.766834  
1 1 1 2  16 16 o 46.362  0.9433 788.395   32.055  810.649   46.464   768.185   44.279   46.992  1.3490 45.746  1.3206 1.245735       1.887788  
1 1 1 2  16 17 o 39.101  0.8157 560.728   23.376  547.612   32.388   574.991   33.775   38.627  1.1439 39.580  1.1642 -0.9528389     1.632166  
1 1 1 2  16 18 o 44.610  1.8171 732.669   59.413  777.750   88.313   695.394   80.303   45.770  2.6437 43.292  2.5418 2.477814       3.667441  
1 1 1 2  16 19 o 31.745  0.6971 369.631   16.220  388.701   23.835   353.181   22.137   32.539  0.9994 31.018  0.9737 1.520941       1.395291  
1 1 1 2  16 20 o 13.943  0.5283 71.289    5.3986  70.166    7.5705   72.451    7.7007   13.808  0.7508 14.032  0.7515 -0.2237072     1.062316  
1 1 1 2  16 21 o 26.217  0.6242 252.150   11.995  260.741   17.312   244.218   16.636   26.647  0.8864 25.789  0.8801 0.8577614      1.249113  
1 1 1 2  16 22 o 8.6709  0.6780 27.758    4.2747  27.828    5.9023   27.682    6.1993   8.6516  0.9462 8.6212  0.9996 0.3031349E-01  1.376408  
1 1 1 2  16 23 o 36.829  0.7934 498.078   21.418  499.759   30.273   496.394   30.305   36.855  1.1207 36.730  1.1257 0.1249580      1.588405  
1 1 1 2  16 24 o 31.890  1.0268 374.055   24.001  369.807   33.188   378.713   34.751   31.655  1.4304 32.026  1.4804 -0.3709717     2.058542  
1 1 1 2  16 25 o 37.665  0.9487 521.718   26.191  578.408   40.355   480.461   34.427   39.580  1.3911 36.090  1.3015 3.489834       1.904957  
1 1 1 2  16 26 o 3.0712  1.2326 1.6236    4.2319  -2.2471   5.9257   5.6530    6.0458   3.0056  1.3372 4.2493  1.5256 -1.243686      2.028651  
1 1 1 2  16 27 o 44.609  0.9382 732.907   30.677  703.526   41.717   767.502   45.267   43.605  1.3053 45.527  1.3566 -1.922085      1.882542  
1 1 1 2  16 28 o 19.027  0.5975 132.968   8.3333  126.767   11.398   140.088   12.214   18.558  0.8380 19.507  0.8543 -0.9490604     1.196653  
1 1 1 2  17 0  o 33.077  0.9522 402.050   23.042  390.055   25.898   447.619   50.478   32.565  1.0878 34.760  1.9963 -0.000000      0.000000  
1 1 1 2  17 1  o 69.673  1.5750 1781.24   80.434  1813.92   115.797  1750.78   111.809  70.263  2.2485 69.032  2.2097 1.230797       3.152555  
1 1 1 2  17 2  o 74.182  2.0615 2021.06   112.089 1990.46   127.657  2124.08   234.216  73.592  2.3666 75.670  4.2400 -2.077423      4.855767  
1 1 1 2  17 3  o 38.820  1.1108 552.647   31.606  586.998   38.541   482.110   55.229   40.004  1.3145 36.169  2.0922 3.834389       2.470852  
1 1 1 2  17 4  o 52.441  2.0935 1010.13   80.469  1133.71   126.906  927.031   104.064  55.390  3.1388 50.110  2.8451 5.280617       4.236294  
1 1 1 2  17 5  o 108.343 2.9970 4321.98   237.998 4275.36   333.273  4370.50   339.988  107.508 4.2294 108.688 4.2678 -1.180367      6.008459  
1 1 1 2  17 6  o 46.128  1.3104 780.520   44.306  814.076   65.299   751.892   60.313   47.086  1.8920 45.256  1.8183 1.830830       2.624101  
1 1 1 2  17 7  o 129.092 2.5188 6128.17   238.322 6130.29   389.605  6126.90   301.259  128.744 4.1287 128.946 3.1875 -0.2018280     5.215981  
1 1 1 2  17 8  f 71.306  1.4020 1865.39   73.276  1801.43   115.888  1908.00   94.584   70.012  2.2583 72.091  1.7900 -2.078712      2.881680  
1 1 1 2  17 9  o 167.289 3.2693 10318.90  400.864 10226.19  649.519  10375.93  509.468  165.693 5.3482 167.439 4.1513 -1.745758      6.770234  
1 1 1 2  17 10 o 98.300  1.9215 3549.24   138.447 3466.83   221.074  3602.42   177.582  96.977  3.1102 98.965  2.4481 -1.988335      3.958137  
1 1 1 2  17 11 o 108.672 2.4534 4344.82   195.417 4423.62   344.526  4307.45   237.279  109.215 4.3039 108.101 2.9947 1.113350       5.243230  
1 1 1 2  17 12 o 28.197  0.7974 291.507   16.479  304.360   27.246   284.093   20.693   28.802  1.2907 27.832  1.0144 0.9693584      1.641567  
1 1 1 2  17 13 o 87.877  1.7239 2836.66   111.036 2800.97   155.074  2874.21   159.058  87.224  2.4256 88.352  2.4562 -1.127892      3.452022  
1 1 1 2  17 14 o 35.299  0.7413 456.860   19.179  451.323   26.805   462.668   27.453   35.075  1.0426 35.513  1.0547 -0.4377136     1.483052  
1 1 1 2  17 15 o 53.371  1.0729 1045.16   41.971  1014.60   57.613   1079.73   61.268   52.554  1.4957 54.211  1.5419 -1.656620      2.148154  
1 1 1 2  17 16 o 25.914  0.5936 246.219   11.275  245.680   15.903   246.764   15.989   25.880  0.8384 25.937  0.8410 -0.5701065E-01 1.187490  
1 1 1 2  17 17 o 52.559  1.0585 1014.16   40.778  1040.94   59.022   989.701   56.405   53.201  1.5136 51.879  1.4834 1.322247       2.119294  
1 1 1 2  17 18 o 29.612  0.7627 321.726   16.553  315.704   23.011   328.184   23.830   29.318  1.0708 29.891  1.0877 -0.5728321     1.526363  
1 1 1 2  17 19 o 39.126  0.9585 562.235   27.486  541.529   37.830   585.387   40.003   38.358  1.3456 39.878  1.3686 -1.520126      1.919284  
1 1 1 2  17 20 o 16.899  0.5304 104.737   6.5702  97.266    8.8937   113.712   9.7483   16.279  0.7454 17.601  0.7556 -1.322201      1.061389  
1 1 1 2  17 21 o 20.617  0.5578 155.925   8.4297  145.751   11.400   168.202   12.522   19.924  0.7806 21.403  0.7982 -1.478672      1.116488  
1 1 1 2  17 22 o 37.365  0.7990 512.756   21.882  523.301   31.407   502.808   30.504   37.707  1.1364 36.963  1.1259 0.7442398      1.599730  
1 1 1 2  17 23 o 5.9204  0.9678 13.222    4.0547  8.5388    5.6287   18.273    5.8459   4.8021  1.4654 6.9471  1.1909 -2.145045      1.888286  
1 1 1 2  17 24 o 25.584  0.6318 240.266   11.848  233.912   16.381   247.235   17.156   25.224  0.8860 25.931  0.9026 -0.7068405     1.264822  
1 1 1 2  17 25 o 29.055  0.8001 310.333   17.038  312.223   24.280   308.499   23.916   29.098  1.1384 28.926  1.1281 0.1724243      1.602661  
1 1 1 2  17 26 o 27.613  0.6676 280.159   13.512  266.427   18.166   297.163   20.215   26.896  0.9215 28.397  0.9712 -1.501326      1.338794  
1 1 1 2  17 27 o 16.257  0.5910 97.080    7.0421  96.000    9.9115   98.181    10.007   16.125  0.8415 16.308  0.8400 -0.1828880     1.189038  
1 1 1 2  18 0  o 13.066  0.4834 62.830    4.6153  72.511    9.6334   59.946    5.2580   13.968  0.9511 12.752  0.5651 0.000000       0.000000  
1 1 1 2  18 1  o 106.407 2.9419 4170.07   229.447 4216.27   267.830  4042.63   444.806  106.903 3.4181 103.852 5.8675 3.050461       6.790534  
1 1 1 2  18 2  o 98.951  2.7355 3603.80   198.398 3597.32   228.766  3623.45   398.493  98.792  3.1593 98.419  5.5467 0.3732224      6.383359  
1 1 1 2  18 3  o 136.236 3.7754 6858.05   376.991 6793.79   431.425  7065.56   775.324  135.416 4.3467 136.276 7.7945 -0.8603973     8.924567  
1 1 1 2  18 4  o 41.017  2.3445 620.538   70.193  0.0000    0.0000   620.538   70.193   ?       ?      41.017  2.3445 0.000000       2.344515  
1 1 1 2  18 5  o 42.666  1.2177 667.739   38.080  648.310   52.547   689.229   55.262   42.023  1.7060 43.328  1.7401 -1.304367      2.436902  
1 1 1 2  18 6  o 91.646  2.5413 3090.20   170.705 3113.32   243.473  3067.84   239.405  91.803  3.6184 91.136  3.5839 0.6662064      5.092870  
1 1 1 2  18 7  o 20.805  0.7211 158.681   10.997  157.957   15.749   159.370   15.362   20.754  1.0353 20.847  1.0054 -0.9301758E-01 1.443153  
1 1 1 2  18 8  o 51.382  1.0211 968.222   38.457  990.150   64.352   956.040   47.964   51.929  1.6907 51.047  1.2819 0.8814278      2.121755  
1 1 1 2  18 9  o 54.967  1.0905 1108.21   43.935  1081.81   70.386   1125.06   56.237   54.272  1.7694 55.370  1.3857 -1.097649      2.247422  
1 1 1 2  18 10 o 45.384  0.9123 755.323   30.347  712.851   47.118   785.430   39.670   44.069  1.4587 46.271  1.1697 -2.202053      1.869787  
1 1 1 2  18 11 o 125.741 3.4889 5852.12   321.549 5748.27   631.559  5888.47   373.597  122.585 7.0589 125.916 4.0480 -3.330917      8.137182  
1 1 1 2  18 12 o 64.441  1.4739 1524.95   69.618  1529.69   98.755   1520.27   98.157   64.475  2.0897 64.277  2.0835 0.1980362      2.950872  
1 1 1 2  18 13 o 67.387  1.4255 1667.79   70.406  1654.38   92.379   1686.37   108.751  67.062  1.8794 67.662  2.1929 -0.5996246     2.888035  
1 1 1 2  18 14 o 89.160  1.7537 2924.29   114.603 2899.17   160.588  2950.36   163.601  88.613  2.4725 89.386  2.4971 -0.7723160     3.514074  
1 1 1 2  18 15 f 47.219  0.9570 818.206   33.122  855.078   48.628   786.297   45.238   48.237  1.3754 46.260  1.3342 1.976929       1.916195  
1 1 1 2  18 16 o 13.063  0.5301 62.571    5.0753  78.430    8.8058   54.683    6.2106   14.597  0.8264 12.190  0.6980 2.406766       1.081770  
1 1 1 2  18 17 o 12.992  0.8137 62.191    7.7099  63.174    11.067   61.264    10.747   13.058  1.1686 12.859  1.1525 0.1986208      1.641283  
1 1 1 2  18 18 o 44.404  0.9126 724.181   29.701  708.209   41.145   741.560   42.918   43.866  1.2797 44.883  1.3046 -1.017193      1.827490  
1 1 1 2  18 19 o 14.395  0.6116 76.029    6.4531  74.297    9.0140   77.849    9.2423   14.196  0.8705 14.532  0.8717 -0.3365879     1.231955  
1 1 1 2  18 20 o 6.9119  0.7513 17.747    3.7449  17.986    5.2319   17.497    5.3626   6.9127  1.0669 6.8083  1.1131 0.1043711      1.541857  
1 1 1 2  18 21 o 21.055  0.5579 162.638   8.6096  168.795   12.362   156.839   11.998   21.438  0.7867 20.664  0.7921 0.7734756      1.116441  
1 1 1 2  18 22 o 55.565  1.1258 1137.03   45.851  1103.02   62.993   1175.34   66.866   54.601  1.5740 56.347  1.6190 -1.746048      2.258055  
1 1 1 2  18 23 o 28.702  0.7577 302.641   15.941  294.507   22.005   311.624   23.124   28.280  1.0616 29.087  1.0846 -0.8071709     1.517693  
1 1 1 2  18 24 o 7.1363  0.8566 18.999    4.3909  19.506    6.1714   18.479    6.2486   7.1717  1.2176 6.9665  1.2706 0.2051530      1.759768  
1 1 1 2  18 25 o 35.424  0.9070 462.201   23.549  432.447   31.456   500.135   35.519   34.186  1.2554 36.746  1.3187 -2.560070      1.820725  
1 1 1 2  18 26 o 23.615  0.6209 204.929   10.748  215.103   15.571   195.669   14.855   24.162  0.8792 23.045  0.8795 1.117327       1.243565  
1 1 1 2  19 0  o 58.853  1.6431 1273.50   70.754  1282.06   82.245   1249.11   138.784  59.018  1.9058 57.999  3.2889 -0.000000      0.000000  
1 1 1 2  19 1  o 89.750  2.4895 2964.53   163.767 2911.75   185.906  3147.37   346.026  88.889  2.8534 91.700  5.1693 -2.811676      5.904543  
1 1 1 2  19 2  o 26.974  0.7998 266.770   15.814  274.057   18.773   248.967   29.343   27.338  0.9369 25.997  1.5469 1.340813       1.808514  
1 1 1 2  19 3  o 52.899  1.4807 1027.10   57.410  1044.59   67.427   980.972   109.470  53.333  1.7249 51.503  2.9118 1.829601       3.384339  
1 1 1 2  19 4  o 58.976  2.3352 1279.69   100.944 1330.78   148.606  1235.92   137.547  59.917  3.3978 57.761  3.2622 2.155590       4.710341  
1 1 1 2  19 5  o 70.263  1.9558 1814.37   100.723 1794.72   141.189  1834.73   143.732  69.785  2.7603 70.556  2.7793 -0.7709808     3.917130  
1 1 1 2  19 6  o 81.073  2.2522 2418.02   133.832 2387.73   187.167  2449.72   191.441  80.412  3.1756 81.443  3.2070 -1.031013      4.513243  
1 1 1 2  19 7  o 25.080  0.7981 230.631   14.671  246.402   22.024   218.049   19.672   25.916  1.1594 24.381  1.1008 1.535320       1.598784  
1 1 1 2  19 8  o 25.844  0.8243 244.912   15.615  228.155   21.032   265.494   23.309   24.937  1.1507 26.900  1.1822 -1.962433      1.649749  
1 1 1 2  19 9  o 51.704  1.1913 980.999   45.149  940.484   61.381   1028.76   66.642   50.595  1.6552 52.911  1.7184 -2.316010      2.385920  
1 1 1 2  19 10 o 69.580  1.3729 1777.68   70.018  1766.08   113.592  1784.79   88.919   69.242  2.2382 69.678  1.7411 -0.4358292     2.835642  
1 1 1 2  19 11 o 21.511  0.5769 169.638   9.0958  170.284   15.964   169.328   11.068   21.543  1.0110 21.489  0.7027 0.5409431E-01  1.231216  
1 1 1 2  19 12 o 94.314  1.8503 3274.10   127.908 3298.01   210.548  3260.12   161.029  94.309  3.0459 93.992  2.3374 0.3177338      3.839401  
1 1 1 2  19 13 o 47.760  1.3750 838.305   48.135  833.103   67.827   843.582   68.322   47.545  1.9463 47.843  1.9483 -0.2978134     2.753927  
1 1 1 2  19 14 o 40.425  0.8303 599.632   24.601  585.833   34.009   614.778   35.629   39.934  1.1619 40.906  1.1883 -0.9723892     1.661972  
1 1 1 2  19 15 o 62.951  1.2521 1457.15   57.774  1416.38   79.432   1502.94   84.186   61.965  1.7489 63.818  1.7997 -1.853157      2.509529  
1 1 1 2  19 16 o 47.614  0.9681 832.846   33.785  815.735   46.835   851.412   48.783   47.068  1.3576 48.081  1.3842 -1.013763      1.938855  
1 1 1 2  19 17 o 52.763  1.2272 1024.68   47.462  1043.27   68.121   1007.14   66.164   53.122  1.7495 52.199  1.7293 0.9228325      2.459958  
1 1 1 2  19 18 o 38.079  0.7999 532.544   22.326  514.760   30.627   552.712   32.615   37.399  1.1173 38.749  1.1484 -1.349594      1.602198  
1 1 1 2  19 19 o 18.198  0.5703 121.515   7.6073  122.485   9.9745   120.165   11.762   18.263  0.7451 18.082  0.8875 0.1813240      1.158785  
1 1 1 2  19 20 o 26.710  0.6736 261.922   13.187  278.052   18.157   243.914   19.185   27.502  0.9007 25.747  1.0166 1.754581       1.358227  
1 1 1 2  19 21 o 4.1408  1.1392 6.5121    3.5661  8.2839    5.0434   4.7406    5.0430   4.6959  1.3764 3.8917  1.3937 0.8042104      1.958806  
1 1 1 2  19 22 o 21.385  0.5764 167.848   9.0342  161.445   12.541   174.755   13.025   20.957  0.8164 21.803  0.8150 -0.8469009     1.153643  
1 1 1 2  19 23 o 26.143  0.8632 251.477   16.540  240.792   22.346   264.424   24.598   25.535  1.1940 26.748  1.2547 -1.213127      1.731980  
1 1 1 2  19 24 o 11.513  0.6293 48.843    5.2897  45.303    7.3028   52.752    7.6725   11.052  0.9096 11.935  0.8834 -0.8833885     1.267952  
1 1 1 2  19 25 o 16.842  0.6238 104.252   7.7011  106.324   10.123   101.406   11.866   16.992  0.8128 16.547  0.9828 0.4446774      1.275342  
1 1 1 2  19 26 o 17.825  0.5863 116.738   7.6601  116.349   10.769   117.136   10.898   17.772  0.8267 17.832  0.8338 -0.5919075E-01 1.174193  
1 1 1 2  20 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  20 1  o 21.842  0.6631 174.896   10.615  179.341   12.571   163.850   19.816   22.116  0.7755 21.090  1.2881 1.025442       1.503511  
1 1 1 2  20 2  o 72.660  2.0153 1941.62   107.332 1941.65   123.984  1941.52   214.415  72.618  2.3294 72.162  4.0704 0.4562149      4.689831  
1 1 1 2  20 3  o 36.636  1.0516 492.360   28.238  495.255   32.904   484.266   55.010   36.737  1.2220 36.223  2.0807 0.5142746      2.412984  
1 1 1 2  20 4  o 38.883  1.5718 555.330   44.797  576.057   65.949   537.575   61.039   39.487  2.2885 38.154  2.1919 1.333294       3.168815  
1 1 1 2  20 5  o 49.937  1.4089 915.625   51.568  893.447   71.500   939.668   74.447   49.283  1.9794 50.539  2.0097 -1.255806      2.820810  
1 1 1 2  20 6  o 55.420  1.5574 1128.35   63.262  1121.23   89.137   1135.57   89.797   55.177  2.2041 55.528  2.2063 -0.3514595     3.118611  
1 1 1 2  20 7  f 57.711  1.6214 1224.08   68.586  1244.27   98.655   1205.20   95.418   58.098  2.3167 57.184  2.2765 0.9138298      3.248061  
1 1 1 2  20 8  o 27.043  0.8523 268.252   16.894  276.888   24.827   260.806   23.054   27.462  1.2334 26.655  1.1800 0.8073788      1.706997  
1 1 1 2  20 9  o 41.445  1.2037 630.694   36.565  655.625   53.670   609.098   49.951   42.214  1.7346 40.694  1.6747 1.520050       2.411100  
1 1 1 2  20 10 o 42.836  1.0023 673.419   31.471  659.941   43.757   687.863   45.296   42.375  1.4088 43.261  1.4285 -0.8854408     2.006329  
1 1 1 2  20 11 o 32.086  0.7711 377.667   18.136  353.448   29.936   391.710   22.795   31.012  1.3170 32.669  0.9520 -1.657337      1.625027  
1 1 1 2  20 12 o 29.847  0.6387 326.729   13.972  326.576   23.148   326.817   17.525   29.820  1.0591 29.844  0.8011 -0.2448654E-01 1.327932  
1 1 1 2  20 13 o 80.395  1.5845 2381.92   93.369  2377.40   152.374  2384.63   118.148  79.943  2.6005 80.306  2.0072 -0.3626175     3.285029  
1 1 1 2  20 14 o 19.070  0.5891 133.399   8.2340  120.112   14.384   139.875   10.042   18.043  1.0928 19.524  0.7018 -1.481134      1.298715  
1 1 1 2  20 15 o 30.059  0.6518 331.559   14.361  333.696   23.722   330.322   18.044   30.123  1.0744 29.992  0.8208 0.1310062      1.352087  
1 1 1 2  20 16 o 10.148  0.5297 37.881    3.9266  42.002    5.3066   32.894    5.8373   10.676  0.6817 9.4242  0.8543 1.251529       1.093005  
1 1 1 2  20 17 o 29.894  0.9050 328.513   19.830  322.380   27.136   335.542   29.050   29.573  1.2519 30.161  1.3140 -0.5886631     1.814933  
1 1 1 2  20 18 o 16.071  0.5088 94.747    5.9929  93.411    8.2391   96.249    8.7329   15.950  0.7048 16.189  0.7360 -0.2390232     1.019010  
1 1 1 2  20 19 o 26.935  0.6196 266.304   12.231  262.351   17.071   270.474   17.534   26.713  0.8719 27.122  0.8820 -0.4093761     1.240206  
1 1 1 2  20 20 o 38.810  1.0512 554.764   29.902  580.448   49.456   539.965   37.542   39.538  1.7066 38.230  1.3398 1.308102       2.169661  
1 1 1 2  20 21 o 15.680  0.5338 90.239    6.1353  104.534   9.1744   78.673    8.2521   16.865  0.7422 14.609  0.7734 2.256121       1.071886  
1 1 1 2  20 22 o 33.746  0.7390 418.694   18.279  432.425   26.478   406.192   25.265   34.237  1.0551 33.186  1.0387 1.051361       1.480613  
1 1 1 2  20 23 o 15.379  0.6025 86.900    6.7913  83.849    8.8995   91.154    10.508   15.070  0.8087 15.698  0.9173 -0.6283188     1.222854  
1 1 1 2  20 24 o 4.2545  1.2278 6.8589    4.0411  12.423    5.8012   1.6141    5.6325   5.6675  1.4038 3.4396  1.4067 2.227948       1.987340  
1 1 1 2  20 25 o 26.979  0.6541 267.664   12.935  259.596   17.732   276.839   18.909   26.526  0.9120 27.387  0.9420 -0.8606586     1.311158  
1 1 1 2  21 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  21 1  o 55.161  1.5390 1118.31   62.222  1150.29   73.770   1039.48   115.829  55.914  1.8000 52.885  3.0005 3.028648       3.499003  
1 1 1 2  21 2  o 35.496  1.0131 462.340   26.359  462.202   30.490   462.747   52.439   35.483  1.1724 35.386  2.0303 0.9688950E-01  2.344472  
1 1 1 2  21 3  f 31.123  0.9083 355.361   20.720  351.772   23.818   366.529   42.014   30.960  1.0496 31.505  1.8273 -0.5452709     2.107275  
1 1 1 2  21 4  o 10.808  0.7651 43.056    6.0214  47.312    9.8847   40.545    7.5928   11.286  1.2140 10.464  1.0023 0.8228283      1.574255  
1 1 1 2  21 5  o 48.259  1.3628 855.698   48.206  867.503   69.323   844.645   67.079   48.526  1.9490 47.887  1.9111 0.6387825      2.729686  
1 1 1 2  21 6  o 21.609  0.7148 171.250   11.321  171.540   16.366   170.983   15.676   21.618  1.0329 21.585  0.9908 0.3382683E-01  1.431277  
1 1 1 2  21 7  o 23.270  0.7554 198.622   12.884  206.505   19.055   191.983   17.487   23.716  1.0962 22.869  1.0433 0.8470688      1.513326  
1 1 1 2  21 8  o 43.185  1.2410 685.246   39.281  677.443   55.211   693.246   55.900   42.882  1.7566 43.379  1.7581 -0.4970970     2.485292  
1 1 1 2  21 9  o 12.820  0.7017 60.467    6.5684  48.604    8.9584   74.259    9.6593   11.453  1.0799 14.192  0.9338 -2.739402      1.427643  
1 1 1 2  21 10 o 32.464  0.9923 387.069   23.611  451.045   38.037   346.963   30.116   34.999  1.4828 30.710  1.3379 4.289165       1.997173  
1 1 1 2  21 11 o 44.525  1.8373 732.616   59.960  700.260   81.605   770.580   88.395   43.283  2.5841 45.382  2.6692 -2.099091      3.715099  
1 1 1 2  21 12 f 23.674  0.5383 205.570   9.3416  200.400   15.370   208.599   11.764   23.358  0.8977 23.842  0.6732 -0.4849186     1.122091  
1 1 1 2  21 13 o 53.733  1.0736 1062.03   42.284  1066.39   69.546   1059.46   53.259   53.674  1.7678 53.610  1.3554 0.6478882E-01  2.227568  
1 1 1 2  21 14 o 12.874  0.4720 60.790    4.4537  64.010    7.1281   58.729    5.7041   13.183  0.7407 12.651  0.6152 0.5319414      0.9628611 
1 1 1 2  21 15 o 37.936  0.8428 528.899   23.435  525.425   35.710   531.528   31.059   37.740  1.2909 37.990  1.1154 -0.2501411     1.706078  
1 1 1 2  21 16 o 12.001  0.4762 52.833    4.1887  44.298    6.4781   58.966    5.4910   10.949  0.8130 12.675  0.5910 -1.726071      1.005137  
1 1 1 2  21 17 o 17.190  0.5831 108.450   7.3464  117.783   10.547   99.655    10.239   17.902  0.8038 16.442  0.8525 1.459957       1.171706  
1 1 1 2  21 18 o 18.074  0.5203 119.866   6.8931  105.240   8.8485   142.443   10.994   16.926  0.7133 19.688  0.7618 -2.762386      1.043619  
1 1 1 2  21 19 o 49.507  1.0094 902.817   36.627  897.168   51.402   908.644   52.205   49.228  1.4246 49.537  1.4378 -0.3091621     2.024046  
1 1 1 2  21 20 o 24.277  0.6861 216.576   12.209  208.733   16.748   225.472   17.836   23.803  0.9599 24.736  0.9837 -0.9328022     1.374482  
1 1 1 2  21 21 o 7.4946  0.7415 20.862    4.0199  20.042    5.5323   21.778    5.8511   7.2921  1.0666 7.6048  1.0801 -0.3127131     1.517951  
1 1 1 2  21 22 o 34.584  0.7574 440.302   19.199  453.127   27.662   428.382   26.667   35.004  1.0782 34.037  1.0689 0.9665794      1.518248  
1 1 1 2  21 23 o 36.403  0.7917 488.312   21.123  478.336   29.244   499.195   30.543   35.935  1.1103 36.702  1.1354 -0.7662659     1.588050  
1 1 1 2  22 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  22 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  22 2  o 60.379  1.6833 1342.80   74.495  1355.04   86.809   1308.60   145.101  60.600  1.9544 59.071  3.3652 1.529060       3.891569  
1 1 1 2  22 3  o 30.626  0.8985 344.257   20.168  335.917   22.891   373.193   42.639   30.246  1.0326 31.759  1.8396 -1.513819      2.109552  
1 1 1 2  22 4  o 23.884  0.8610 209.357   15.072  202.021   18.273   224.971   26.659   23.453  1.0630 24.680  1.4805 -1.227139      1.822641  
1 1 1 2  22 5  o 12.779  0.7814 60.144    7.2837  63.736    11.119   57.443    9.6402   13.118  1.1687 12.460  1.0659 0.6577549      1.581715  
1 1 1 2  22 6  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  22 7  o 53.894  3.1240 1092.92   122.873 0.0000    0.0000   1092.92   122.873  ?       ?      53.894  3.1240 0.000000       3.123968  
1 1 1 2  22 8  o 25.114  0.9531 231.697   17.544  242.569   22.277   213.939   28.469   25.680  1.1835 24.023  1.6264 1.656340       2.011434  
1 1 1 2  22 9  o 30.093  0.9244 332.712   20.390  331.964   28.990   333.446   28.684   30.020  1.3175 30.089  1.3006 -0.6888008E-01 1.851345  
1 1 1 2  22 10 o 34.798  1.2065 445.878   30.771  457.113   38.827   426.904   50.458   35.187  1.5055 33.840  2.0439 1.346478       2.538490  
1 1 1 2  22 11 o 30.627  0.9585 344.887   21.516  394.370   34.049   311.991   27.761   32.687  1.4212 29.090  1.3020 3.596994       1.927446  
1 1 1 2  22 12 o 26.717  0.8723 262.354   17.081  256.777   24.002   268.079   24.315   26.392  1.2407 26.968  1.2301 -0.5759029     1.747182  
1 1 1 2  22 13 o 49.797  0.9991 912.670   36.466  898.827   59.046   921.205   46.365   49.242  1.6360 49.965  1.2660 -0.7230148     2.068629  
1 1 1 2  22 14 o 10.754  0.4408 42.422    3.4744  43.884    5.8734   41.634    4.3092   10.905  0.7392 10.637  0.5546 0.2676525      0.9241548 
1 1 1 2  22 15 o 14.224  0.5511 74.254    5.7458  85.668    8.4852   64.588    7.8084   15.269  0.7582 13.231  0.8091 2.037964       1.108828  
1 1 1 2  22 16 o 26.849  0.6067 264.664   11.939  267.918   19.943   262.846   14.905   26.970  1.0089 26.743  0.7604 0.2274742      1.263332  
1 1 1 2  22 17 o 33.628  0.7204 415.556   17.756  411.697   28.997   417.871   22.459   33.394  1.1847 33.694  0.9094 -0.3002625     1.493508  
1 1 1 2  22 18 o 6.3398  0.8754 15.072    3.9594  13.165    5.0293   18.181    6.4211   5.8628  1.2105 6.8966  1.3183 -1.033791      1.789741  
1 1 1 2  22 19 o 8.5255  0.6345 26.853    3.9365  26.454    5.1427   27.418    6.1174   8.4352  0.8431 8.5660  0.9927 -0.1307688     1.302422  
1 1 1 2  22 20 o 19.085  0.5422 133.792   7.5845  123.769   10.022   147.225   11.603   18.338  0.7457 19.995  0.7917 -1.656864      1.087564  
1 1 1 2  22 21 o 12.358  0.9606 56.756    8.6331  58.625    12.575   55.090    11.874   12.467  1.4004 12.090  1.3638 0.3773479      1.954707  
1 1 1 2  22 22 o 12.263  0.7000 55.549    6.2656  53.401    8.4221   58.212    9.3763   11.980  0.9674 12.499  1.0328 -0.5185509     1.415082  
1 1 1 2  23 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  23 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  23 2  o 42.977  1.2105 679.721   38.130  692.792   44.828   645.515   72.516   43.356  1.4107 41.566  2.3903 1.789925       2.775514  
1 1 1 2  23 3  o 36.789  1.0499 497.618   28.311  499.133   32.850   493.245   55.819   36.825  1.2171 36.393  2.1016 0.4320221      2.428535  
1 1 1 2  23 4  o 16.328  0.5861 97.810    7.0139  95.553    8.1840   104.056   13.612   16.135  0.6920 16.782  1.1129 -0.6467209     1.310528  
1 1 1 2  23 5  o 50.457  2.0331 945.557   75.189  945.557   75.189   0.0000    0.0000   50.457  2.0331 ?       ?      0.000000       2.033062  
1 1 1 2  23 6  o 38.953  1.1249 558.517   32.117  562.629   46.010   554.609   44.852   39.008  1.6092 38.735  1.5798 0.2728043      2.255078  
1 1 1 2  23 7  o 23.323  0.7591 199.771   12.976  198.992   18.636   200.505   18.078   23.251  1.0935 23.342  1.0566 -0.9161568E-01 1.520631  
1 1 1 2  23 8  o 15.755  0.6564 91.119    7.5796  87.819    10.916   94.191    10.533   15.422  0.9706 15.981  0.9029 -0.5596132     1.325655  
1 1 1 2  23 9  o 24.161  0.7956 214.491   14.090  206.290   19.710   223.061   20.149   23.663  1.1364 24.608  1.1171 -0.9452286     1.593538  
1 1 1 2  23 10 o 23.404  1.0892 201.801   18.684  212.292   28.133   193.523   24.992   23.876  1.6172 22.816  1.5028 1.059372       2.207633  
1 1 1 2  23 11 o 24.742  0.8255 225.072   14.970  226.052   21.528   224.155   20.832   24.753  1.1866 24.654  1.1528 0.9949112E-01  1.654371  
1 1 1 2  23 12 f 8.4598  0.9460 26.668    5.7655  20.925    8.3494   31.902    7.9710   7.3721  1.5918 9.2199  1.2086 -1.847832      1.998648  
1 1 1 2  23 13 o 19.543  0.7681 140.394   11.002  135.064   15.426   145.913   15.695   19.106  1.1063 19.865  1.0820 -0.7588444     1.547469  
1 1 1 2  23 14 o 7.1835  0.4292 18.998    2.2494  15.733    3.9273   20.591    2.7441   6.4854  0.8463 7.4738  0.5039 -0.9883423     0.9849836 
1 1 1 2  23 15 o 5.9554  0.5626 13.137    2.4267  12.067    4.1775   13.681    2.9813   5.6312  1.0508 6.0639  0.6826 -0.4327788     1.253057  
1 1 1 2  23 16 o 18.352  0.6265 123.728   8.4274  123.131   11.261   124.488   12.706   18.291  0.8400 18.356  0.9476 -0.6577110E-01 1.266294  
1 1 1 2  23 17 o 20.548  0.5235 155.017   7.8837  155.387   13.234   154.813   9.8154   20.538  0.8791 20.524  0.6525 0.1407623E-01  1.094820  
1 1 1 2  23 18 o 28.218  0.6328 292.728   13.089  290.136   21.403   294.277   16.543   28.018  1.0422 28.266  0.7985 -0.2486401     1.312920  
1 1 1 2  23 19 o 21.389  0.5495 168.117   8.6154  169.247   14.262   167.467   10.811   21.411  0.9088 21.331  0.6915 0.7977867E-01  1.141944  
1 1 1 2  23 20 f 5.2657  0.9701 10.574    3.6064  17.737    4.7182   0.5083    5.5931   6.8600  0.9651 3.2551  1.3721 3.604872       1.677509  
1 1 1 2  23 21 o 18.716  0.5515 128.781   7.5660  128.325   10.400   129.292   11.027   18.657  0.7606 18.721  0.8036 -0.6373978E-01 1.106449  
1 1 1 2  24 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  24 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  24 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  24 3  f 71.739  2.0195 1918.81   106.191 1952.74   124.741  1829.51   202.384  72.147  2.3589 68.200  4.0671 3.946800       4.701720  
1 1 1 2  24 4  o 16.742  0.5825 102.874   7.1486  110.997   8.8574   87.699    12.107   17.385  0.6951 15.393  1.0799 1.991977       1.284299  
1 1 1 2  24 5  o 27.708  1.1956 283.195   24.282  283.195   24.282   0.0000    0.0000   27.708  1.1956 ?       ?      0.000000       1.195592  
1 1 1 2  24 6  o 33.876  0.9938 422.557   24.676  425.174   28.809   415.351   47.812   33.952  1.1577 33.302  1.9675 0.6501656      2.282837  
1 1 1 2  24 7  o 47.623  1.3616 838.951   47.526  832.974   67.065   844.979   67.361   47.228  1.9374 47.570  1.9320 -0.3415871     2.736039  
1 1 1 2  24 8  o 30.622  0.9330 345.200   20.941  345.566   29.952   344.851   29.289   30.565  1.3370 30.540  1.3084 0.2568054E-01  1.870690  
1 1 1 2  24 9  f 25.009  0.8122 230.025   14.889  218.964   20.685   241.915   21.447   24.356  1.1587 25.603  1.1429 -1.247150      1.627484  
1 1 1 2  24 10 o 5.2895  1.4112 10.726    5.5727  9.0989    8.6374   11.887    7.2939   5.2269  1.8285 5.6096  1.6583 -0.3826647     2.468538  
1 1 1 2  24 11 o 9.5004  0.8225 33.452    5.6711  40.191    8.8432   28.744    7.3911   10.365  1.1854 8.7435  1.1837 1.621210       1.675215  
1 1 1 2  24 12 o 14.794  0.7282 80.462    7.8959  82.647    11.541   78.539    10.827   14.930  1.0615 14.559  1.0210 0.3712234      1.472867  
1 1 1 2  24 13 o 12.544  0.7685 58.094    7.0320  54.277    10.239   61.501    9.6748   12.063  1.1728 12.871  1.0343 -0.8081112     1.563735  
1 1 1 2  24 14 o 20.125  0.7963 149.059   11.746  137.665   16.015   162.322   17.279   19.266  1.1392 20.927  1.1307 -1.661444      1.605050  
1 1 1 2  24 15 o 5.7496  0.4655 12.213    1.9449  10.309    3.4403   13.108    2.3578   5.2094  0.9354 5.9491  0.5468 -0.7397509     1.083517  
1 1 1 2  24 16 o 26.964  0.6745 267.445   13.330  260.617   23.186   270.816   16.291   26.512  1.1932 27.109  0.8199 -0.5968437     1.447727  
1 1 1 2  24 17 o 7.9034  0.6622 23.146    3.8004  29.094    5.4624   17.565    5.2910   8.8393  0.8537 6.8011  1.0989 2.038282       1.391535  
1 1 1 2  24 18 o 20.613  0.5284 156.167   7.9835  150.951   13.033   159.300   10.100   20.214  0.8797 20.801  0.6624 -0.5875568     1.101225  
1 1 1 2  24 19 o 10.406  0.5254 39.910    3.9947  41.389    6.5323   39.027    5.0488   10.551  0.8520 10.271  0.6744 0.2792149      1.086580  
1 1 1 2  25 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  25 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  25 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  25 3  o 16.479  0.5384 99.686    6.5025  106.247   7.8972   85.873    11.459   17.007  0.6335 15.226  1.0328 1.780772       1.211652  
1 1 1 2  25 4  o 32.170  0.9335 381.191   22.011  387.211   25.846   365.300   41.992   32.393  1.0886 31.213  1.8437 1.180294       2.141036  
1 1 1 2  25 5  o 22.456  0.9886 185.867   16.272  195.028   24.431   178.563   21.814   22.879  1.4646 21.912  1.3650 0.9669228      2.002048  
1 1 1 2  25 6  o 13.368  0.5839 65.623    5.7208  71.044    7.2285   56.536    9.3590   13.884  0.7127 12.337  1.0448 1.547081       1.264763  
1 1 1 2  25 7  o 18.053  0.6581 119.761   8.7088  129.127   10.913   103.342   14.450   18.734  0.7948 16.678  1.1899 2.056042       1.430891  
1 1 1 2  25 8  o 54.703  1.5615 1113.67   62.608  1088.08   86.931   1141.24   90.243   53.661  2.2102 54.933  2.2413 -1.271690      3.147760  
1 1 1 2  25 9  o 23.526  0.7889 203.668   13.604  216.197   20.357   193.558   18.287   24.184  1.1485 22.893  1.0899 1.291460       1.583269  
1 1 1 2  25 10 o 9.0522  1.0326 30.631    6.7285  18.913    9.8579   40.851    9.2065   6.9822  1.8831 10.435  1.2271 -3.453015      2.247629  
1 1 1 2  25 11 o 44.403  1.2980 731.101   42.244  739.986   60.715   722.763   58.814   44.397  1.8658 43.898  1.8279 0.4986572      2.611981  
1 1 1 2  25 12 o 17.487  0.7493 112.547   9.6039  111.477   13.913   113.521   13.273   17.327  1.1012 17.498  1.0396 -0.1709442     1.514397  
1 1 1 2  25 13 o 19.903  0.7703 145.880   11.237  144.181   16.238   147.441   15.566   19.701  1.1292 19.937  1.0691 -0.2358932     1.554983  
1 1 1 2  25 14 o 7.4111  1.1266 20.809    5.9269  23.595    9.1472   18.793    7.7814   7.7864  1.6538 6.9508  1.5650 0.8356886      2.276949  
1 1 1 2  25 15 o 26.659  0.9003 262.639   17.592  262.904   25.293   262.390   24.485   26.554  1.2995 26.542  1.2586 0.1187515E-01  1.809106  
1 1 1 2  25 16 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  25 17 o 20.314  0.5055 151.707   7.5269  153.613   12.978   150.742   9.2395   20.380  0.8688 20.233  0.6230 0.1465225      1.069133  
1 1 1 2  25 18 o 23.136  0.5956 197.018   10.100  203.044   16.316   193.274   12.859   23.409  0.9509 22.883  0.7667 0.5264530      1.221509  
1 1 1 2  26 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  26 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  26 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  26 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  26 4  o 19.254  0.6118 136.232   8.6345  136.856   10.096   134.532   16.662   19.289  0.7141 19.024  1.2011 0.2648487      1.397341  
1 1 1 2  26 5  o 23.256  0.7187 198.967   12.250  201.157   14.399   193.230   23.309   23.368  0.8407 22.756  1.4044 0.6117363      1.636787  
1 1 1 2  26 6  f 23.708  0.7450 206.845   12.947  217.200   15.723   185.037   22.817   24.274  0.8837 22.264  1.4054 2.009789       1.660157  
1 1 1 2  26 7  o 1.8652  0.9008 -5.9152   3.7192  -9.8190   6.0603   -3.5565   4.7107   2.3638  1.1436 2.4635  1.1335 -0.9969211E-01 1.610183  
1 1 1 2  26 8  o 19.860  0.7037 145.115   10.243  137.590   14.546   152.518   14.427   19.267  1.0338 20.325  0.9684 -1.057156      1.416542  
1 1 1 2  26 9  o 15.169  0.6724 84.651    7.4758  82.684    11.179   86.242    10.055   14.920  1.0285 15.262  0.9029 -0.3420238     1.368591  
1 1 1 2  26 10 o 15.809  0.7985 92.348    9.2224  89.864    12.131   95.749    14.196   15.544  1.0713 16.014  1.2186 -0.4696550     1.622534  
1 1 1 2  26 11 o 3.1556  1.2895 1.3818    4.7280  1.0354    7.4315   1.6175    6.1281   3.7872  1.5882 3.5579  1.4626 0.2293520      2.159086  
1 1 1 2  26 12 o 16.063  0.7262 95.097    8.5495  94.495    12.579   95.613    11.655   15.921  1.0844 16.037  0.9965 -0.1153030     1.472713  
1 1 1 2  26 13 o 18.026  0.7632 119.892   10.083  111.244   14.257   128.548   14.263   17.257  1.1334 18.580  1.0516 -1.322418      1.546125  
1 1 1 2  26 14 o 26.317  0.8910 256.349   17.187  268.859   25.598   246.079   23.192   26.801  1.3031 25.668  1.2327 1.132246       1.793794  
1 1 1 2  26 15 o 7.7803  1.1622 23.054    6.4245  29.879    9.9659   18.200    8.4038   8.7520  1.6130 6.7878  1.6944 1.964225       2.339396  
1 1 1 2  26 16 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  27 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  27 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  27 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  27 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  27 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  27 5  o 18.591  0.6087 127.119   8.2948  125.439   9.5949   132.087   16.503   18.456  0.7093 18.818  1.2028 -0.3615608     1.396337  
1 1 1 2  27 6  o 12.473  0.8581 57.698    7.7977  57.698    7.7977   0.0000    0.0000   12.473  0.8581 ?       ?      0.000000       0.8581483 
1 1 1 2  27 7  o 15.279  0.6151 85.895    6.8890  83.152    8.1588   92.710    12.858   15.020  0.7411 15.764  1.1201 -0.7442236     1.343104  
1 1 1 2  27 8  o 7.3114  0.7885 19.953    4.1589  25.325    5.5793   13.235    6.2390   8.2194  0.9432 5.8277  1.4629 2.391709       1.740554  
1 1 1 2  27 9  o 11.487  0.7017 48.826    5.8802  46.886    9.0154   50.263    7.7573   11.174  1.1157 11.617  0.9185 -0.4428959     1.445165  
1 1 1 2  27 10 o 11.979  0.7466 53.164    6.5223  56.736    10.037   50.553    8.5810   12.293  1.1265 11.625  1.0173 0.6681938      1.517899  
1 1 1 2  27 11 o 15.104  0.7378 84.224    8.1682  72.896    11.419   96.091    11.688   13.940  1.1273 16.054  0.9983 -2.114093      1.505798  
1 1 1 2  27 12 o 14.169  0.7554 74.382    7.8164  63.007    11.041   85.810    11.067   12.933  1.1777 15.161  1.0016 -2.227844      1.545984  
1 1 1 2  27 13 o 7.6181  1.0755 22.039    5.8383  17.759    9.0744   25.062    7.6262   6.6849  1.8083 8.0638  1.3372 -1.378863      2.248975  
1 1 1 2  27 14 o 3.8067  1.4258 4.2042    5.3699  5.1167    8.5437   3.6083    6.9042   4.5308  1.7726 4.0092  1.5857 0.5215445      2.378338  
1 1 1 2  28 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  28 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  28 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  28 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  28 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  28 5  o 7.6142  0.4712 21.395    2.6170  20.698    3.1300   23.013    4.7703   7.4758  0.5756 7.8411  0.8433 -0.3653131     1.021025  
1 1 1 2  28 6  o 25.119  0.7655 233.222   14.095  233.488   16.407   232.473   27.539   25.096  0.8920 24.726  1.5270 0.3695583      1.768432  
1 1 1 2  28 7  o 5.1081  0.9095 9.9621    3.2802  4.3843    4.1777   18.928    5.2968   3.6204  1.2714 7.0535  1.0571 -3.433086      1.653470  
1 1 1 2  28 8  o 22.451  0.7408 186.306   12.190  188.024   14.492   182.149   22.543   22.515  0.8781 21.914  1.4110 0.6012173      1.661916  
1 1 1 2  28 9  o 26.282  0.8365 256.025   16.114  258.745   19.079   249.258   30.094   26.363  0.9874 25.496  1.6187 0.8663368      1.896097  
1 1 1 2  28 10 o 5.7709  1.1555 12.894    4.7172  13.633    7.9617   12.494    5.8557   5.8913  1.7300 5.6383  1.4182 0.2529645      2.237066  
1 1 1 2  28 11 o 13.033  1.2806 64.484    12.076  59.437    17.517   69.054    16.669   12.199  2.0305 13.299  1.7527 -1.100623      2.682372  
1 1 1 2  29 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  29 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  29 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  29 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  29 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  29 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 2  29 6  o 9.1632  0.5055 31.009    3.3816  32.010    4.0659   28.762    6.0906   9.2962  0.5999 8.7336  0.9677 0.5625401      1.138593  
1 1 1 2  29 7  o 13.840  0.8841 71.479    8.9225  71.479    8.9225   0.0000    0.0000   13.840  0.8841 ?       ?      0.000000       0.8841483 
1 1 1 3  0  1  o 69.535  1.9633 1776.46   99.883  1730.04   136.272  1830.35   146.830  68.537  2.7225 70.489  2.8526 -0.000000      0.000000  
1 1 1 3  0  2  o 37.521  1.0699 517.209   29.368  526.012   41.972   508.765   41.107   37.792  1.5208 37.165  1.5148 -0.000000      0.000000  
1 1 1 3  0  3  o 183.393 5.1277 12367.98  688.052 17438.80  1903.35  11605.73  737.957  216.498 12.081 177.566 5.6833 0.000000       0.000000  
1 1 1 3  0  4  o 523.350 16.867 102068.70 6455.06 103632.20 11346.51 101320.50 7849.00  518.112 30.111 519.252 20.698 -0.000000      0.000000  
1 1 1 3  0  5  o 60.733  1.7125 1355.24   76.093  1582.66   123.765  1217.03   96.484   65.550  2.5851 57.480  2.2985 -0.000000      0.000000  
1 1 1 3  0  6  o 65.084  2.5796 1560.34   122.619 1522.90   169.351  1601.60   177.775  64.130  3.6294 65.766  3.7151 -0.000000      0.000000  
1 1 1 3  0  7  o 212.241 5.8645 16577.01  910.735 16641.46  1293.68  16513.68  1282.34  212.206 8.3468 211.395 8.3053 0.000000       0.000000  
1 1 1 3  0  8  o 148.833 4.7655 8150.11   518.652 7760.59   603.796  9246.47   1012.99  145.095 5.6975 157.874 8.8171 0.000000       0.000000  
1 1 1 3  0  9  o 272.044 7.5928 27231.01  1511.32 29349.89  2287.56  25589.79  2013.27  281.840 11.113 263.209 10.473 0.000000       0.000000  
1 1 1 3  0  10 o 153.294 4.2605 8636.07   477.868 8498.62   660.655  8786.89   692.054  151.861 5.9562 154.401 6.1372 -0.000000      0.000000  
1 1 1 3  0  11 o 404.458 11.282 60309.53  3338.76 57220.01  4506.50  64068.87  4971.07  392.822 15.709 415.569 16.378 0.000000       0.000000  
1 1 1 3  0  12 o 274.994 7.6621 27830.10  1541.67 31924.71  2471.46  25222.01  1972.46  293.858 11.515 261.288 10.336 -0.000000      0.000000  
1 1 1 3  0  13 o 306.359 8.4561 34567.43  1895.55 33715.88  2615.82  35509.05  2750.68  301.822 11.866 309.705 12.160 0.000000       0.000000  
1 1 1 3  0  14 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  0  15 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  0  16 o 187.050 5.2439 12884.92  717.659 13776.89  1069.70  12154.81  967.783  192.934 7.5910 181.234 7.3125 -0.000000      0.000000  
1 1 1 3  0  17 o 50.926  1.7104 954.003   63.681  894.765   102.853  990.828   81.093   49.137  2.8784 51.850  2.1421 -0.000000      0.000000  
1 1 1 3  0  18 o 10.726  0.7946 42.860    6.1687  49.230    8.5995   36.108    8.8539   11.448  1.0448 9.6651  1.3195 0.000000       0.000000  
1 1 1 3  0  19 f 284.016 8.0148 29918.25  1665.45 27914.63  2211.08  32545.76  2532.03  272.814 11.099 294.262 11.783 -0.000000      0.000000  
1 1 1 3  0  20 o 83.917  2.7635 2592.28   169.561 2155.38   241.826  3014.80   237.815  76.205  4.3622 90.393  3.6024 0.000000       0.000000  
1 1 1 3  0  21 o 177.000 7.1021 11634.53  918.018 10206.28  1127.13  14449.03  1582.24  164.875 9.3968 195.615 11.118 -0.000000      0.000000  
1 1 1 3  0  22 o 38.040  1.1547 531.917   32.128  479.033   41.403   611.957   50.936   36.043  1.5741 40.744  1.7125 -0.000000      0.000000  
1 1 1 3  0  23 o 159.929 5.1933 9461.19   607.307 9543.89   1050.33  9419.66   744.347  159.129 9.0727 159.193 6.4028 0.000000       0.000000  
1 1 1 3  0  24 o 31.296  1.1537 360.552   26.383  403.781   35.224   305.306   39.819   33.087  1.4589 28.657  1.9154 0.000000       0.000000  
1 1 1 3  0  25 o 38.035  1.1587 531.935   32.236  523.429   44.734   541.124   46.494   37.668  1.6272 38.297  1.6635 -0.000000      0.000000  
1 1 1 3  0  26 o 48.929  1.4274 880.571   51.091  874.042   71.707   887.302   72.813   48.657  2.0185 49.024  2.0343 0.000000       0.000000  
1 1 1 3  0  27 o 25.766  0.9049 244.342   17.042  265.954   25.634   227.224   22.814   26.827  1.3108 24.790  1.2631 -0.000000      0.000000  
1 1 1 3  0  28 o 10.372  0.9219 40.379    6.8807  43.509    9.9487   37.508    9.5265   10.646  1.3313 9.8196  1.4075 0.000000       0.000000  
1 1 1 3  0  29 o 6.5541  1.5144 18.072    6.3309  7.0073    9.0218   28.807    8.8863   3.7886  2.1339 8.4374  1.6060 -0.000000      0.000000  
1 1 1 3  0  30 o 14.062  0.8083 73.235    8.2677  74.760    11.805   71.767    11.583   14.132  1.1575 13.840  1.1606 0.000000       0.000000  
1 1 1 3  0  31 o 9.1104  1.0802 31.722    6.9458  24.136    9.2949   41.314    10.453   7.4303  1.9753 10.304  1.4708 0.000000       0.000000  
1 1 1 3  0  32 o 13.799  0.8648 70.685    8.6683  69.020    12.234   72.364    12.283   13.534  1.2584 13.874  1.2302 -0.000000      0.000000  
1 1 1 3  0  33 o 45.506  1.5768 765.346   52.450  763.522   64.170   769.016   91.041   45.355  1.9384 45.223  2.7705 0.000000       0.000000  
1 1 1 3  1  0  o 165.753 5.3425 10110.13  647.528 10600.88  1162.20  9889.21   779.772  169.027 9.4484 163.758 6.5200 0.000000       0.000000  
1 1 1 3  1  1  o 279.419 5.4628 28674.42  1118.79 28468.57  1569.31  28887.19  1595.44  278.120 7.6983 280.146 7.7699 -2.026215      10.93778  
1 1 1 3  1  2  o 270.667 5.6905 26914.59  1128.92 24900.14  1372.48  31128.62  1985.07  260.149 7.1978 290.486 9.3233 -30.33673      11.77849  
1 1 1 3  1  3  o 181.156 3.5238 12039.59  467.894 11913.31  655.995  12170.35  667.561  180.110 4.9692 182.040 5.0032 -1.930054      7.051526  
1 1 1 3  1  4  o 104.134 2.0483 3975.76   156.340 4094.26   227.987  3870.58   214.798  105.651 2.9441 102.727 2.8528 2.923866       4.099523  
1 1 1 3  1  5  o 205.639 4.3305 15533.31  652.722 14455.15  800.146  17677.91  1128.50  198.234 5.5070 218.964 7.0315 -20.73065      8.931309  
1 1 1 3  1  6  o 63.996  1.7870 1501.55   83.823  1484.43   117.685  1519.17   119.420  63.618  2.5238 64.358  2.5316 -0.7400398     3.574743  
1 1 1 3  1  7  o 187.030 4.2398 12844.05  581.219 12598.26  801.031  13117.32  844.637  185.066 5.9053 188.817 6.1031 -3.750275      8.492351  
1 1 1 3  1  8  f 131.317 2.5725 6322.78   247.606 6299.39   348.667  6346.59   351.687  131.041 3.6301 131.531 3.6479 -0.4894104     5.146393  
1 1 1 3  1  9  o 114.415 2.2364 4798.94   187.550 4569.89   252.519  5080.72   280.089  111.637 3.0861 117.708 3.2465 -6.070839      4.479201  
1 1 1 3  1  10 o 151.687 3.1879 8436.99   354.435 8322.32   462.459  8600.24   551.780  150.623 4.1889 153.090 4.9174 -2.466965      6.459735  
1 1 1 3  1  11 o 255.198 4.9837 23901.73  932.201 25746.19  1418.84  22500.80  1236.54  264.643 7.3146 247.452 6.8177 17.19112       9.999243  
1 1 1 3  1  12 o 247.292 4.8609 22445.63  881.059 20569.98  1134.57  25294.98  1398.40  236.589 6.5427 262.273 7.2744 -25.68410      9.783867  
1 1 1 3  1  13 o 229.523 4.5024 19336.36  757.449 18085.55  1001.30  21009.61  1158.11  221.826 6.1585 239.034 6.6101 -17.20825      9.034422  
1 1 1 3  1  14 o 113.796 2.5732 4748.98   214.629 4681.83   298.907  4820.47   308.376  112.952 3.6104 114.610 3.6710 -1.657608      5.148908  
1 1 1 3  1  15 o 266.744 6.6374 26233.51  1297.69 25097.44  1983.80  27083.27  1715.69  259.765 10.419 270.462 8.6547 -10.69705      13.54493  
1 1 1 3  1  16 o 205.122 4.0495 15466.87  608.834 15590.19  874.787  15351.01  847.887  205.608 5.8047 204.054 5.6691 1.553802       8.113767  
1 1 1 3  1  17 o 241.414 5.5133 21511.61  975.557 22147.39  1406.64  20922.39  1354.15  244.060 7.8633 237.247 7.7872 6.812881       11.06674  
1 1 1 3  1  18 o 184.772 4.2256 12574.08  572.281 12220.77  951.188  12774.53  716.461  181.322 7.1571 185.988 5.2557 -4.665817      8.879514  
1 1 1 3  1  19 o 115.192 2.2810 4870.56   192.585 4669.28   263.830  5100.13   281.768  112.702 3.1938 117.779 3.2640 -5.076881      4.566620  
1 1 1 3  1  20 o 135.485 3.0864 6747.52   306.495 6623.23   426.140  6880.73   441.147  134.034 4.3377 136.601 4.4060 -2.567764      6.182929  
1 1 1 3  1  21 o 66.084  1.5279 1601.72   74.007  1794.38   116.163  1470.10   96.014   69.912  2.2669 63.289  2.0698 6.622490       3.069683  
1 1 1 3  1  22 o 102.638 2.3550 3869.06   177.167 3778.74   243.429  3970.78   258.341  101.332 3.2775 103.859 3.3937 -2.527496      4.717955  
1 1 1 3  1  23 o 61.339  1.3262 1380.00   59.626  1418.23   94.255   1354.49   76.989   62.146  2.0692 60.752  1.7290 1.394260       2.696482  
1 1 1 3  1  24 o 52.663  1.1579 1017.22   44.695  1043.93   69.014   997.918   58.656   53.322  1.7659 52.145  1.5347 1.176441       2.339552  
1 1 1 3  1  25 o 92.027  1.8193 3111.85   122.719 3080.26   171.778  3144.77   175.380  91.441  2.5630 92.389  2.5899 -0.9474945     3.643666  
1 1 1 3  1  26 o 47.146  0.9792 815.441   33.837  828.476   48.383   802.962   47.341   47.496  1.3898 46.759  1.3813 0.7364349      1.959483  
1 1 1 3  1  27 o 19.959  0.6443 146.080   9.4261  133.236   12.663   162.040   14.116   19.056  0.9067 21.014  0.9164 -1.958828      1.289147  
1 1 1 3  1  28 o 61.698  1.4480 1400.33   65.481  1448.00   95.346   1357.77   90.085   62.616  2.0775 60.645  2.0266 1.971092       2.902280  
1 1 1 3  1  29 o 12.451  0.6030 56.851    5.5029  47.659    7.3821   68.347    8.2556   11.360  0.8938 13.622  0.8308 -2.261964      1.220335  
1 1 1 3  1  30 o 14.620  0.5720 78.387    6.1294  73.959    8.5928   82.974    8.7458   14.171  0.8309 15.015  0.7975 -0.8443470     1.151718  
1 1 1 3  1  31 o 20.726  0.5915 157.569   8.9855  159.333   12.829   155.870   12.589   20.832  0.8402 20.605  0.8336 0.2273159      1.183558  
1 1 1 3  1  32 o 41.734  1.2691 641.769   38.821  719.934   60.474   586.981   50.630   44.063  1.8725 39.820  1.7347 4.243217       2.552509  
1 1 1 3  1  33 o 40.472  1.2372 603.934   36.701  586.870   41.519   664.916   78.491   39.858  1.4212 41.981  2.5631 -2.122669      2.930761  
1 1 1 3  2  0  o 129.173 3.6180 6132.34   341.937 6408.51   502.779  5894.68   466.410  131.860 5.2207 126.462 5.0501 -0.000000      0.000000  
1 1 1 3  2  1  o 316.681 6.2289 36864.10  1445.81 35072.68  1945.64  39073.20  2160.58  308.469 8.6054 325.486 9.0564 -17.01733      12.49285  
1 1 1 3  2  2  o 64.030  1.2600 1502.72   59.135  1547.15   85.630   1462.21   81.764   64.965  1.7983 63.157  1.7663 1.808235       2.520635  
1 1 1 3  2  3  o 206.461 4.0201 15645.20  608.349 15637.49  990.439  15649.86  770.907  206.152 6.5548 206.397 5.0959 -0.2449646     8.302607  
1 1 1 3  2  4  o 269.733 5.3046 26747.62  1048.75 24875.11  1385.88  29256.84  1604.29  259.761 7.2790 281.595 7.7728 -21.83438      10.64894  
1 1 1 3  2  5  o 363.166 8.2424 48755.86  2194.01 50331.50  3191.20  47343.48  3021.35  367.297 11.854 356.379 11.567 10.91852       16.56199  
1 1 1 3  2  6  o 135.227 3.7334 6713.25   370.043 7296.77   566.413  6278.74   488.771  140.841 5.4869 130.680 5.1029 10.16093       7.492993  
1 1 1 3  2  7  o 347.620 8.7062 44613.69  2218.27 53266.25  4118.70  41078.29  2632.74  377.171 14.898 332.907 10.790 44.26389       18.39507  
1 1 1 3  2  8  o 153.596 2.9941 8651.35   337.075 9011.87   495.321  8340.38   460.025  156.711 4.3123 150.766 4.1629 5.944763       5.993782  
1 1 1 3  2  9  o 381.859 7.9768 53628.73  2232.60 56932.68  3605.48  51574.01  2843.31  392.426 12.535 374.015 10.372 18.41080       16.26964  
1 1 1 3  2  10 o 320.755 6.2488 37785.41  1469.09 38217.82  2099.13  37370.28  2056.73  322.235 8.8876 318.654 8.8060 3.580505       12.51140  
1 1 1 3  2  11 o 128.981 2.5211 6099.10   238.338 5815.83   321.729  6443.62   354.816  125.929 3.4857 132.547 3.6522 -6.617889      5.048597  
1 1 1 3  2  12 o 190.770 3.7269 13349.63  521.116 13761.58  757.012  12978.59  718.438  193.598 5.3348 188.017 5.2133 5.580246       7.459143  
1 1 1 3  2  13 o 189.331 3.9782 13153.51  552.057 13314.13  740.396  12952.42  828.459  190.390 5.3057 187.725 6.0210 2.664597       8.025106  
1 1 1 3  2  14 o 158.162 3.5889 9180.23   416.043 10031.34  636.303  8544.65   549.865  165.201 5.2550 152.496 4.9194 12.70462       7.198310  
1 1 1 3  2  15 f 189.176 4.7107 13157.30  653.185 13443.28  863.843  12775.50  998.125  191.004 6.1704 185.993 7.3216 5.010788       9.574953  
1 1 1 3  2  16 o 84.733  1.6754 2632.65   104.051 2915.06   161.694  2433.04   135.936  89.133  2.4750 81.439  2.2773 7.694595       3.363280  
1 1 1 3  2  17 o 167.038 3.5301 10256.11  432.202 9765.45   625.604  10704.12  597.796  162.699 5.2461 170.433 4.7854 -7.734375      7.100791  
1 1 1 3  2  18 o 138.062 2.7138 7000.14   274.620 7572.86   418.598  6567.39   363.869  143.425 3.9819 133.604 3.7157 9.821640       5.446309  
1 1 1 3  2  19 o 116.972 2.4625 5023.64   211.125 4947.04   274.139  5135.29   330.980  116.001 3.2243 118.111 3.8232 -2.110695      5.001293  
1 1 1 3  2  20 o 52.432  1.1367 1007.92   43.685  1050.19   60.210   960.944   63.480   53.511  1.5351 51.183  1.6921 2.328346       2.284702  
1 1 1 3  2  21 o 45.934  1.8822 774.198   63.371  0.0000    0.0000   774.198   63.371   ?       ?      45.934  1.8822 0.000000       1.882243  
1 1 1 3  2  22 o 151.117 3.7797 8416.26   418.654 8165.97   522.228  8866.42   700.364  148.600 4.7947 154.380 6.1894 -5.780502      7.829320  
1 1 1 3  2  23 o 87.441  1.8606 2806.70   119.246 2901.88   162.907  2696.84   175.024  88.852  2.5015 85.624  2.7888 3.227455       3.746313  
1 1 1 3  2  24 o 43.479  1.0527 693.268   33.548  760.071   44.434   604.702   51.162   45.516  1.3319 40.583  1.7200 4.932564       2.175371  
1 1 1 3  2  25 o 60.904  1.3190 1361.34   58.882  1317.91   75.133   1430.47   94.795   59.896  1.7114 62.367  2.0737 -2.470524      2.688741  
1 1 1 3  2  26 o 12.240  0.5617 54.926    5.0391  46.379    6.8664   64.902    7.4182   11.214  0.8416 13.281  0.7653 -2.067693      1.137493  
1 1 1 3  2  27 o 85.276  2.4102 2688.04   150.649 2503.64   197.875  2942.32   232.355  81.995  3.2925 88.764  3.5714 -6.769424      4.857466  
1 1 1 3  2  28 o 76.223  1.9546 2144.01   109.198 1937.78   126.556  2744.96   216.036  72.342  2.3868 85.629  3.4421 -13.28654      4.188658  
1 1 1 3  2  29 o 46.587  1.2355 797.828   42.187  799.774   66.487   796.516   54.583   46.539  1.9491 46.501  1.6015 0.3794098E-01  2.522643  
1 1 1 3  2  30 o 35.911  0.9125 473.486   24.018  458.464   32.951   490.516   35.084   35.306  1.2733 36.516  1.3108 -1.209404      1.827459  
1 1 1 3  2  31 o 48.858  1.0227 877.251   36.625  947.048   55.752   824.262   48.578   50.685  1.5007 47.303  1.4011 3.381817       2.053103  
1 1 1 3  2  32 o 29.296  1.1428 315.942   24.540  271.260   38.191   347.363   32.026   26.965  1.9454 30.681  1.4242 -3.715879      2.410991  
1 1 1 3  2  33 o 16.750  0.7512 103.056   9.2226  121.352   15.782   93.568    11.365   18.107  1.1959 15.919  0.9788 2.188064       1.545397  
1 1 1 3  3  0  o 299.935 8.3572 33147.38  1834.03 30448.15  2378.61  37105.11  2880.21  286.756 11.357 316.381 12.464 0.000000       0.000000  
1 1 1 3  3  1  o 135.154 2.6414 6698.55   261.666 6591.64   364.809  6811.83   375.527  134.029 3.7135 136.247 3.7604 -2.218094      5.284957  
1 1 1 3  3  2  o 25.238  0.5644 233.436   10.441  232.122   13.744   235.230   16.057   25.166  0.7451 25.334  0.8647 -0.1676807     1.141427  
1 1 1 3  3  3  o 41.868  0.8357 642.472   25.645  638.386   41.760   644.946   32.494   41.732  1.3652 41.948  1.0569 -0.2156143     1.726507  
1 1 1 3  3  4  o 56.308  1.1189 1162.14   46.178  1186.51   77.309   1148.63   57.578   56.887  1.8541 55.977  1.4033 0.9103813      2.325304  
1 1 1 3  3  5  o 248.341 5.6021 22694.06  1019.71 21326.24  1351.67  24500.83  1553.48  240.315 7.6738 257.434 8.2331 -17.11888      11.25477  
1 1 1 3  3  6  o 171.133 4.7286 10760.01  593.125 10533.51  818.305  11010.71  860.929  169.121 6.6014 172.884 6.7941 -3.763397      9.473047  
1 1 1 3  3  7  o 238.733 5.8959 20948.74  1031.69 21640.40  1376.97  20063.54  1557.75  242.383 7.7507 233.158 9.1152 9.224548       11.96496  
1 1 1 3  3  8  o 335.541 6.5985 41374.91  1622.83 41882.59  2326.67  40893.93  2264.66  337.114 9.4162 333.139 9.2746 3.974823       13.21680  
1 1 1 3  3  9  o 170.235 3.3478 10627.09  417.723 10817.31  606.050  10454.93  576.552  171.695 4.8158 168.802 4.6599 2.893585       6.701280  
1 1 1 3  3  10 o 222.730 4.3637 18200.11  712.390 18582.84  1022.61  17839.23  992.982  224.937 6.2026 220.394 6.1470 4.542206       8.732516  
1 1 1 3  3  11 o 245.907 4.7942 22192.40  864.107 22375.90  1230.30  22013.74  1213.93  246.746 6.8027 244.745 6.7671 2.001358       9.595266  
1 1 1 3  3  12 o 147.433 2.9048 7970.64   313.898 7390.35   413.485  8759.98   482.242  141.928 3.9748 154.508 4.2583 -12.58038      5.825068  
1 1 1 3  3  13 o 71.626  1.4224 1880.50   74.673  2102.67   116.883  1727.29   97.064   75.732  2.1057 68.642  1.9293 7.089920       2.855856  
1 1 1 3  3  14 o 48.671  1.1452 868.277   40.855  982.375   64.097   790.206   53.020   51.766  1.6893 46.428  1.5580 5.337208       2.298118  
1 1 1 3  3  15 o 93.671  2.1530 3217.89   147.818 3277.59   215.934  3165.25   202.779  94.498  3.1176 92.871  2.9789 1.627510       4.311992  
1 1 1 3  3  16 o 72.719  1.5510 1938.91   82.668  2119.68   119.078  1770.74   114.856  76.016  2.1372 69.474  2.2555 6.541771       3.107269  
1 1 1 3  3  17 o 85.037  1.9578 2652.70   122.029 2647.26   171.084  2658.33   174.105  84.910  2.7490 85.085  2.7917 -0.1749039     3.917988  
1 1 1 3  3  18 o 169.658 3.5689 10588.08  443.800 10478.75  580.202  10742.26  688.979  168.551 4.6964 170.450 5.5148 -1.899017      7.243565  
1 1 1 3  3  19 o 15.442  0.5135 87.395    5.8116  85.769    8.0934   89.125    8.3502   15.297  0.7218 15.593  0.7306 -0.2963676     1.027049  
1 1 1 3  3  20 o 86.143  1.8221 2722.44   115.045 2800.22   156.165  2630.13   170.126  87.327  2.4398 84.612  2.7432 2.715401       3.671218  
1 1 1 3  3  21 o 83.398  1.9216 2552.34   117.464 2819.17   181.501  2360.03   154.083  87.582  2.8274 80.149  2.6229 7.432625       3.856623  
1 1 1 3  3  22 o 75.512  2.4504 2094.79   135.623 2153.06   170.669  1994.93   223.411  76.505  3.0436 73.405  4.1696 3.099411       5.162234  
1 1 1 3  3  23 o 112.578 2.2363 4656.32   184.531 4949.28   274.668  4415.31   249.129  115.908 3.2331 109.499 3.1041 6.408791       4.481962  
1 1 1 3  3  24 o 89.157  1.9067 2919.98   124.601 2968.40   166.351  2858.11   188.064  89.813  2.5270 88.070  2.9134 1.743797       3.856624  
1 1 1 3  3  25 o 36.211  0.9950 480.955   26.407  466.271   40.961   491.399   34.545   35.631  1.5684 36.592  1.2880 -0.9601593     2.029496  
1 1 1 3  3  26 o 55.456  1.1324 1128.79   46.030  1179.35   67.975   1085.96   62.554   56.638  1.6374 54.356  1.5701 2.281780       2.268563  
1 1 1 3  3  27 o 39.886  0.9807 583.879   28.670  592.614   40.923   575.459   40.178   40.154  1.3905 39.569  1.3853 0.5850449      1.962793  
1 1 1 3  3  28 o 60.994  1.5623 1369.55   69.845  1294.05   104.667  1430.17   93.779   59.104  2.4161 62.226  2.0561 -3.122734      3.172562  
1 1 1 3  3  29 o 40.510  0.9311 602.472   27.645  683.918   40.412   530.833   37.900   43.128  1.2784 37.987  1.3612 5.140518       1.867421  
1 1 1 3  3  30 o 13.443  0.5888 66.276    5.8010  63.254    8.2614   69.215    8.1476   13.098  0.8654 13.708  0.8145 -0.6102848     1.188446  
1 1 1 3  3  31 o 27.622  0.7186 279.999   14.549  258.811   20.975   299.643   20.197   26.533  1.0786 28.558  0.9649 -2.025351      1.447178  
1 1 1 3  3  32 o 13.472  0.7943 66.890    7.8088  88.874    11.019   44.709    11.068   15.516  0.9738 10.917  1.4166 4.599160       1.718988  
1 1 1 3  3  33 o 13.468  0.7462 66.823    7.3368  73.182    10.622   61.020    10.146   14.063  1.0378 12.828  1.0895 1.235367       1.504651  
1 1 1 3  4  0  o 120.589 3.8545 5349.98   339.902 5566.10   432.279  4999.95   550.144  122.877 4.8165 116.123 6.5104 0.000000       0.000000  
1 1 1 3  4  1  f 116.890 2.2787 5010.32   195.228 4976.13   273.565  5045.79   278.694  116.456 3.2049 117.267 3.2424 -0.8106308     4.559060  
1 1 1 3  4  2  o 248.443 5.1986 22696.95  946.666 24237.34  1335.55  21141.54  1342.05  256.362 7.1077 239.311 7.6511 17.05038       10.44310  
1 1 1 3  4  3  o 171.972 3.3548 10854.34  422.868 11109.52  613.753  10623.75  583.447  173.846 4.8167 170.017 4.6820 3.829132       6.717225  
1 1 1 3  4  4  o 67.520  1.3253 1671.17   65.587  1694.19   108.333  1657.85   82.406   67.971  2.1745 67.246  1.6719 0.7244034      2.742941  
1 1 1 3  4  5  o 100.764 2.2740 3723.29   167.949 3855.46   246.202  3608.26   229.690  102.503 3.2770 99.167  3.1600 3.336052       4.552415  
1 1 1 3  4  6  o 144.505 3.2601 7660.37   345.301 7618.80   483.916  7703.50   492.865  144.042 4.5835 144.837 4.6427 -0.7947083     6.524044  
1 1 1 3  4  7  o 333.055 8.2359 40847.13  2010.50 41757.75  3263.01  40289.85  2552.60  335.470 13.270 330.271 10.545 5.199036       16.94972  
1 1 1 3  4  8  o 461.247 9.0762 78339.70  3068.46 77428.13  4284.71  79299.43  4396.37  457.493 12.778 462.927 12.957 -5.434296      18.19762  
1 1 1 3  4  9  o 202.932 3.9725 15105.44  590.878 14866.48  821.973  15360.96  849.986  201.236 5.5728 204.549 5.6694 -3.313156      7.949692  
1 1 1 3  4  10 o 267.592 6.0880 26299.55  1194.07 27693.55  1528.44  24116.21  1912.84  274.426 7.5988 255.739 10.205 18.68620       12.72310  
1 1 1 3  4  11 o 340.942 6.6865 42723.62  1670.93 40650.36  2240.18  45323.62  2508.66  332.138 9.2020 350.590 9.7625 -18.45230      13.41581  
1 1 1 3  4  12 o 61.650  1.2289 1393.03   55.528  1478.76   83.201   1324.17   74.565   63.514  1.7872 60.104  1.6926 3.410782       2.461497  
1 1 1 3  4  13 o 134.934 2.6477 6677.06   261.856 6576.13   365.868  6783.05   374.938  133.866 3.7288 135.954 3.7626 -2.088074      5.297308  
1 1 1 3  4  14 o 82.585  2.0711 2500.90   125.366 2198.29   173.521  2831.33   181.324  77.402  3.0586 87.851  2.8160 -10.44879      4.157456  
1 1 1 3  4  15 o 270.290 6.1835 26950.02  1225.02 30506.10  1958.63  24665.10  1570.01  286.378 9.3311 257.901 8.3055 28.47604       12.49204  
1 1 1 3  4  16 o 85.965  1.7077 2710.03   107.600 2769.27   155.030  2654.96   149.462  86.870  2.4348 85.060  2.3973 1.810112       3.416941  
1 1 1 3  4  17 o 97.125  2.0584 3461.01   146.533 3258.84   183.316  3818.81   243.867  94.211  2.6547 101.935 3.2640 -7.724792      4.207273  
1 1 1 3  4  18 o 62.142  1.4444 1416.09   65.789  1385.81   110.741  1432.61   81.787   61.437  2.4592 62.493  1.7855 -1.055649      3.039064  
1 1 1 3  4  19 o 104.877 2.0814 4036.57   159.995 4209.66   233.681  3883.83   219.518  107.025 2.9789 102.806 2.9132 4.218979       4.166618  
1 1 1 3  4  20 o 48.177  1.2518 851.059   44.204  848.892   56.775   854.394   70.442   48.108  1.6101 48.252  1.9917 -0.1445808     2.561168  
1 1 1 3  4  21 o 114.746 3.1854 4843.63   267.902 4885.65   382.350  4803.11   375.484  115.019 4.5353 114.052 4.4917 0.9672928      6.383128  
1 1 1 3  4  22 o 115.454 2.8874 4902.21   244.343 4596.18   295.157  5568.70   435.578  111.683 3.6057 122.662 4.8448 -10.97999      6.039260  
1 1 1 3  4  23 o 48.743  1.0049 871.177   35.900  887.364   51.547   855.929   50.028   49.180  1.4300 48.302  1.4131 0.8783417      2.010413  
1 1 1 3  4  24 o 64.731  1.3067 1537.35   61.994  1745.03   98.002   1398.81   80.045   68.917  1.9401 61.715  1.7695 7.201115       2.625905  
1 1 1 3  4  25 o 50.295  1.1095 928.100   40.901  950.296   63.525   912.383   53.455   50.853  1.7043 49.846  1.4631 1.007092       2.246186  
1 1 1 3  4  26 o 22.553  0.5922 186.485   9.7891  209.708   14.919   168.930   12.972   23.910  0.8513 21.460  0.8247 2.449614       1.185245  
1 1 1 3  4  27 o 32.759  0.9280 393.836   22.283  366.887   27.066   450.530   39.257   31.606  1.1684 34.997  1.5304 -3.390932      1.925414  
1 1 1 3  4  28 o 13.894  0.8063 71.071    8.1754  88.467    12.821   59.151    10.613   15.476  1.1382 12.636  1.1588 2.840702       1.624332  
1 1 1 3  4  29 o 31.693  0.7689 368.576   17.861  409.727   29.631   345.091   22.385   33.385  1.2109 30.654  0.9963 2.731100       1.568105  
1 1 1 3  4  30 o 56.537  1.1524 1175.06   47.756  1145.90   65.913   1207.28   69.287   55.748  1.6131 57.213  1.6523 -1.465015      2.309130  
1 1 1 3  4  31 o 31.552  0.7235 365.401   16.732  352.438   22.955   380.096   24.441   30.966  1.0114 32.155  1.0370 -1.189678      1.448541  
1 1 1 3  4  32 o 13.814  0.6536 70.047    6.6183  78.515    10.482   64.433    8.5344   14.578  0.9869 13.211  0.8865 1.366781       1.326560  
1 1 1 3  4  33 o 19.368  0.8681 137.889   12.323  158.559   18.685   121.978   16.393   20.700  1.2372 18.146  1.2400 2.554085       1.751635  
1 1 1 3  5  0  o 74.446  2.0772 2036.44   113.146 2009.06   157.337  2065.77   162.829  73.847  2.9171 74.879  2.9775 -0.000000      0.000000  
1 1 1 3  5  1  o 199.957 3.9406 14684.10  577.539 16859.88  930.987  13322.98  736.352  213.972 5.9362 190.305 5.2790 23.66786       7.943944  
1 1 1 3  5  2  o 144.683 2.8275 7679.83   299.845 8059.14   397.771  7180.62   456.321  148.160 3.6629 139.791 4.4536 8.368210       5.766379  
1 1 1 3  5  3  o 220.840 4.3137 17916.34  698.240 18603.08  1026.81  17325.63  952.313  224.740 6.2334 216.928 5.9894 7.811996       8.644572  
1 1 1 3  5  4  o 82.127  1.6203 2472.59   97.535  2192.56   140.611  2732.29   135.407  77.321  2.4811 86.322  2.1401 -9.001564      3.276561  
1 1 1 3  5  5  o 123.036 3.3917 5553.77   305.866 5664.71   440.656  5450.62   424.894  124.189 4.8410 121.825 4.7584 2.364868       6.788071  
1 1 1 3  5  6  o 286.170 5.5915 30081.56  1172.82 28205.89  1552.53  32574.65  1789.91  276.826 7.6516 297.396 8.2114 -20.56998      11.22380  
1 1 1 3  5  7  o 352.636 7.9728 45747.73  2060.72 51866.25  3279.42  41755.30  2649.06  374.587 11.944 336.372 10.745 38.21442       16.06596  
1 1 1 3  5  8  o 88.941  1.7564 2899.56   114.498 2882.35   161.050  2917.16   162.814  88.669  2.4780 89.203  2.4902 -0.5336151     3.513078  
1 1 1 3  5  9  o 398.378 7.7638 58367.18  2266.99 57415.56  3150.49  59388.95  3264.56  394.447 10.897 401.115 11.104 -6.668427      15.55770  
1 1 1 3  5  10 o 310.182 6.0688 35341.89  1379.76 35330.33  1944.80  35353.61  1957.81  309.776 8.5654 309.869 8.6201 -0.9289551E-01 12.15202  
1 1 1 3  5  11 o 272.967 5.3411 27361.84  1068.62 28973.86  1599.40  26061.91  1436.25  280.578 7.7772 266.164 7.3621 14.41394       10.70910  
1 1 1 3  5  12 o 70.561  1.3935 1824.93   72.068  1810.96   101.379  1839.19   102.468  70.284  1.9679 70.830  1.9737 -0.5456390     2.787179  
1 1 1 3  5  13 o 127.811 2.9028 5992.30   271.937 6059.11   391.913  5930.27   377.638  128.458 4.1624 127.091 4.0540 1.366745       5.810396  
1 1 1 3  5  14 o 312.145 7.0629 35968.62  1615.93 34978.69  2222.11  37079.68  2354.14  306.757 9.8831 315.703 10.174 -8.945679      14.18365  
1 1 1 3  5  15 o 100.945 2.2961 3738.26   169.887 4041.75   257.933  3505.72   225.778  104.902 3.3546 97.711  3.1525 7.191109       4.603467  
1 1 1 3  5  16 o 103.270 3.3367 3919.04   252.565 4196.79   463.197  3801.52   301.295  106.388 5.9641 101.646 4.0441 4.742783       7.205932  
1 1 1 3  5  17 o 55.445  1.1966 1127.06   48.630  1054.11   60.279   1263.06   82.299   53.613  1.5340 58.676  1.9136 -5.062527      2.452546  
1 1 1 3  5  18 o 77.211  1.5257 2186.38   86.341  2212.01   123.261  2161.69   120.980  77.633  2.1662 76.746  2.1507 0.8871613      3.052502  
1 1 1 3  5  19 o 36.373  0.7784 484.959   20.752  563.331   33.245   434.927   26.562   39.198  1.1571 34.443  1.0522 4.754513       1.563969  
1 1 1 3  5  20 o 34.736  0.8678 442.301   22.095  461.613   32.660   426.003   30.002   35.481  1.2559 34.086  1.2009 1.395195       1.737616  
1 1 1 3  5  21 o 70.623  1.7841 1830.18   92.350  1696.52   135.615  1945.76   126.109  67.939  2.7234 72.785  2.3639 -4.845840      3.606214  
1 1 1 3  5  22 o 34.486  0.8685 436.002   21.953  465.777   32.699   411.570   29.620   35.638  1.2518 33.501  1.2063 2.137020       1.738452  
1 1 1 3  5  23 o 63.448  1.3665 1476.93   63.550  1412.51   80.766   1581.65   102.973  62.025  1.7765 65.607  2.1414 -3.581203      2.782390  
1 1 1 3  5  24 f 50.840  1.1204 948.112   41.748  1035.94   68.619   896.495   52.605   53.106  1.7629 49.421  1.4522 3.685112       2.284004  
1 1 1 3  5  25 o 57.713  1.2605 1222.64   53.322  1193.29   79.676   1246.45   71.761   56.957  1.9085 58.236  1.6812 -1.278793      2.543401  
1 1 1 3  5  26 o 22.148  0.5848 179.852   9.4928  180.069   13.444   179.637   13.406   22.156  0.8278 22.129  0.8265 0.2655029E-01  1.169823  
1 1 1 3  5  27 o 9.2857  0.6858 31.797    4.6345  26.961    6.4419   36.986    6.6726   8.5041  1.0562 9.9966  0.9210 -1.492502      1.401408  
1 1 1 3  5  28 o 51.444  1.2294 972.771   46.357  869.377   58.698   1144.15   75.570   48.576  1.6486 55.687  1.8515 -7.111408      2.479085  
1 1 1 3  5  29 o 30.272  0.7501 336.254   16.643  331.644   21.788   342.712   25.788   30.050  0.9892 30.536  1.1522 -0.4857159     1.518565  
1 1 1 3  5  30 o 16.282  0.5736 97.233    6.8451  107.308   9.9767   88.271    9.4091   17.098  0.7961 15.484  0.8321 1.614012       1.151575  
1 1 1 3  5  31 o 13.445  0.6059 66.320    5.9706  67.852    8.5494   64.862    8.3418   13.564  0.8645 13.260  0.8630 0.3033123      1.221479  
1 1 1 3  5  32 o 60.048  1.2309 1329.08   54.174  1441.45   82.748   1244.79   71.669   62.326  1.8114 57.966  1.6868 4.359947       2.475178  
1 1 1 3  5  33 o 48.171  1.1719 855.173   41.378  864.537   59.331   846.306   57.736   48.293  1.6761 47.790  1.6483 0.5029564      2.350783  
1 1 1 3  6  0  o 102.592 2.8347 3867.95   212.793 3815.95   296.818  3922.94   305.227  101.758 3.9936 103.173 4.0504 0.000000       0.000000  
1 1 1 3  6  1  o 138.817 2.7050 7068.29   275.231 7440.37   365.507  6581.02   418.279  142.382 3.5023 133.861 4.2632 8.521454       5.517331  
1 1 1 3  6  2  o 117.202 2.2857 5037.08   196.353 4829.17   238.176  5478.15   346.912  114.740 2.8321 122.159 3.8745 -7.418869      4.799185  
1 1 1 3  6  3  o 202.322 3.9407 15024.88  584.376 15314.83  844.089  14757.99  809.839  204.098 5.6425 200.368 5.5143 3.730530       7.889530  
1 1 1 3  6  4  o 395.322 8.9342 57663.55  2588.72 54445.70  4227.44  59594.15  3274.48  381.738 15.109 401.134 11.137 -19.39554      18.76994  
1 1 1 3  6  5  f 192.781 4.3261 13638.21  611.287 14074.17  1091.00  13438.71  738.011  195.567 7.6111 191.305 5.2633 4.261520       9.253695  
1 1 1 3  6  6  o 464.508 9.0785 79472.38  3090.91 76338.01  4187.65  83223.63  4581.24  454.211 12.579 474.030 13.185 -19.81854      18.22299  
1 1 1 3  6  7  o 281.011 6.3289 29006.56  1303.57 30008.05  1909.21  28131.93  1784.19  285.468 9.1246 276.446 8.8054 9.022614       12.68050  
1 1 1 3  6  8  o 280.493 6.3229 28901.30  1299.93 29221.24  1851.55  28590.31  1825.48  281.706 8.9672 278.652 8.9379 3.053528       12.66084  
1 1 1 3  6  9  o 98.460  1.9280 3553.65   139.140 3618.46   199.622  3492.42   194.045  99.342  2.7415 97.597  2.7126 1.745018       3.856708  
1 1 1 3  6  10 o 142.705 2.7870 7467.31   291.508 7166.01   395.595  7825.31   431.212  139.762 3.8617 146.043 4.0284 -6.281265      5.580375  
1 1 1 3  6  11 f 208.170 5.7760 15923.59  881.299 17549.12  1360.12  14747.21  1157.05  218.199 8.5044 200.103 7.8889 18.09590       11.59998  
1 1 1 3  6  12 o 174.333 3.9479 11155.66  504.466 10823.66  689.605  11537.84  739.890  171.594 5.4830 177.143 5.6985 -5.549225      7.907989  
1 1 1 3  6  13 o 156.899 3.9196 9040.16   450.753 8476.83   660.814  9530.35   616.421  151.732 5.9418 160.970 5.2246 -9.237701      7.912120  
1 1 1 3  6  14 o 119.079 2.3440 5201.54   204.586 5178.40   288.424  5224.98   290.242  118.757 3.3135 119.290 3.3195 -0.5325928     4.690279  
1 1 1 3  6  15 o 62.316  1.2425 1423.63   56.751  1355.65   76.499   1506.83   84.632   60.800  1.7166 64.099  1.8014 -3.298496      2.488306  
1 1 1 3  6  16 o 217.958 4.9576 17524.17  792.006 16989.54  1080.91  18143.95  1163.81  213.958 6.8926 220.987 7.1851 -7.029556      9.956577  
1 1 1 3  6  17 o 85.654  1.6867 2691.07   105.890 2710.94   150.826  2671.75   148.699  85.931  2.3947 85.309  2.3781 0.6224442      3.374876  
1 1 1 3  6  18 o 51.357  1.0455 966.958   39.355  1125.02   63.500   868.387   50.146   55.384  1.5643 48.662  1.4059 6.721500       2.103241  
1 1 1 3  6  19 o 146.196 2.8740 7854.96   307.960 7901.81   440.480  7810.17   430.727  146.417 4.1044 145.579 4.0367 0.8378448      5.756830  
1 1 1 3  6  20 o 200.477 4.5991 14844.19  675.798 16591.63  1054.59  13626.63  880.297  210.970 6.8200 191.441 6.2735 19.52895       9.266554  
1 1 1 3  6  21 o 127.918 2.6987 6014.95   253.030 6104.99   339.010  5901.70   380.197  128.722 3.5932 126.458 4.1019 2.263680       5.453092  
1 1 1 3  6  22 o 32.049  0.7114 376.516   16.711  393.995   24.654   361.658   22.730   32.780  1.0261 31.406  0.9874 1.373379       1.424058  
1 1 1 3  6  23 o 43.803  0.9838 703.590   31.585  696.753   41.517   712.984   48.667   43.579  1.2997 44.076  1.5064 -0.4965515     1.989642  
1 1 1 3  6  24 o 50.167  1.0362 923.133   38.100  879.251   51.489   976.240   56.643   48.940  1.4354 51.565  1.4987 -2.624710      2.075203  
1 1 1 3  6  25 o 37.501  0.8026 515.766   22.060  518.572   31.279   512.990   31.117   37.589  1.1353 37.386  1.1355 0.2028732      1.605733  
1 1 1 3  6  26 o 75.382  1.7495 2092.17   96.663  1974.40   129.445  2240.62   145.336  73.077  2.4167 77.810  2.5483 -4.732834      3.512049  
1 1 1 3  6  27 o 60.367  1.3093 1339.78   57.933  1431.45   81.177   1244.62   82.705   62.314  1.7773 58.073  1.9430 4.241810       2.633281  
1 1 1 3  6  28 o 52.359  1.3680 1008.52   52.498  977.741   79.970   1031.83   69.593   51.416  2.1220 52.888  1.7953 -1.471523      2.779545  
1 1 1 3  6  29 o 91.255  1.9475 3078.43   130.260 3419.37   219.555  2893.23   161.815  95.522  3.1359 88.221  2.5025 7.301804       4.011985  
1 1 1 3  6  30 o 34.582  0.8908 439.187   22.580  453.069   32.584   426.362   31.319   35.087  1.2670 34.038  1.2554 1.048534       1.783601  
1 1 1 3  6  31 o 19.388  0.6682 137.963   9.4952  125.856   12.871   152.421   14.065   18.479  0.9535 20.363  0.9423 -1.884504      1.340606  
1 1 1 3  6  32 o 11.283  0.6412 46.881    5.2805  49.614    7.5938   44.321    7.3477   11.582  0.9017 10.940  0.9250 0.6419725      1.291783  
1 1 1 3  7  0  o 68.209  1.9133 1709.31   95.486  1527.58   120.199  2020.19   157.208  64.401  2.5555 74.062  2.9062 0.000000       0.000000  
1 1 1 3  7  1  o 334.651 6.5340 41189.72  1602.69 39322.68  1931.88  45311.36  2870.38  326.673 8.0684 349.789 11.196 -23.11603      13.80011  
1 1 1 3  7  2  o 128.163 2.4959 6022.62   234.458 6038.91   297.787  5996.06   380.290  128.316 3.1662 127.828 4.0589 0.4884262      5.147780  
1 1 1 3  7  3  o 132.505 2.5772 6437.58   250.300 6417.25   353.080  6458.12   354.881  132.264 3.6421 132.684 3.6491 -0.4202728     5.155622  
1 1 1 3  7  4  o 238.262 5.3578 20843.00  935.663 20601.95  1598.87  20968.55  1153.88  236.453 9.2254 238.866 6.5906 -2.412842      11.33776  
1 1 1 3  7  5  o 209.363 6.6611 16106.41  1022.18 17857.60  1955.35  15447.88  1199.07  219.439 12.205 204.921 7.9832 14.51857       14.58434  
1 1 1 3  7  6  o 310.108 8.5326 35394.11  1939.44 35489.98  2750.07  35299.25  2735.56  309.860 12.109 309.033 12.077 0.8268738      17.10192  
1 1 1 3  7  7  o 122.797 2.7897 5528.79   251.085 6023.38   382.463  5154.18   332.858  128.137 4.0722 118.539 3.8311 9.598541       5.591072  
1 1 1 3  7  8  o 597.221 13.566 132265.00 5938.28 123802.80 7848.54  143595.59 9081.78  574.823 18.628 617.999 20.049 -43.17609      27.36778  
1 1 1 3  7  9  o 152.707 2.9879 8551.48   334.430 8417.81   464.855  8694.89   481.496  151.464 4.1872 153.932 4.2676 -2.468994      5.978734  
1 1 1 3  7  10 o 45.418  0.9217 756.015   30.684  758.262   43.505   753.791   43.284   45.484  1.3050 45.349  1.3022 0.1342773      1.843564  
1 1 1 3  7  11 o 325.905 6.3728 39077.98  1522.30 38220.96  2101.11  40024.98  2208.64  321.712 8.9105 329.147 9.1549 -7.435211      12.77531  
1 1 1 3  7  12 o 270.103 5.2643 26829.41  1042.21 27238.30  1495.33  26443.14  1453.37  271.670 7.5096 267.700 7.4071 3.969391       10.54792  
1 1 1 3  7  13 o 110.405 3.0541 4473.76   247.147 4251.05   331.724  4751.61   370.525  107.549 4.2081 113.687 4.4466 -6.137047      6.122119  
1 1 1 3  7  14 o 170.013 3.3310 10617.33  415.082 9980.74   550.573  11455.60  631.802  164.672 4.5616 176.364 4.8876 -11.69162      6.685515  
1 1 1 3  7  15 o 162.661 3.3925 9725.01   404.464 9643.89   531.149  9836.97   624.003  161.805 4.4786 163.269 5.2144 -1.463959      6.873698  
1 1 1 3  7  16 o 90.267  2.2720 2990.72   150.322 3102.32   200.963  2848.96   226.493  91.885  2.9839 88.008  3.5112 3.876617       4.607836  
1 1 1 3  7  17 o 44.360  0.9056 721.366   29.444  735.365   42.296   708.202   41.014   44.783  1.2886 43.948  1.2733 0.8346138      1.811525  
1 1 1 3  7  18 o 177.144 3.4999 11548.23  454.426 12403.93  681.972  10864.87  609.438  183.169 5.0797 171.495 4.8484 11.67329       7.022090  
1 1 1 3  7  19 o 109.506 2.1498 4401.90   172.548 4694.54   259.122  4168.75   231.285  112.983 3.1290 106.487 2.9633 6.495697       4.309497  
1 1 1 3  7  20 o 36.701  1.2833 493.957   34.520  536.183   45.270   435.295   53.358   38.230  1.6156 34.367  2.1287 3.862785       2.672363  
1 1 1 3  7  21 o 70.832  1.4112 1840.34   73.264  1868.09   105.012  1814.03   102.265  71.331  2.0085 70.293  1.9849 1.038254       2.823817  
1 1 1 3  7  22 o 75.833  1.5218 2110.24   84.588  2026.67   114.788  2209.55   125.132  74.272  2.1086 77.542  2.2017 -3.270012      3.048505  
1 1 1 3  7  23 o 28.102  0.7496 289.537   15.440  265.816   20.438   321.073   23.566   26.922  1.0358 29.587  1.0867 -2.665031      1.501245  
1 1 1 3  7  24 o 78.379  1.6639 2257.33   95.588  2163.55   140.495  2338.15   130.430  76.607  2.5021 79.686  2.2331 -3.079102      3.353733  
1 1 1 3  7  25 o 66.859  1.3544 1642.08   66.372  1475.14   84.104   1917.69   108.063  63.311  1.8124 72.144  2.0436 -8.833447      2.731524  
1 1 1 3  7  26 o 22.007  0.8116 177.672   13.090  180.050   18.446   175.259   18.580   22.112  1.1420 21.813  1.1663 0.2991829      1.632344  
1 1 1 3  7  27 o 93.570  1.8774 3231.10   128.756 3100.59   175.223  3384.27   189.828  91.363  2.6166 95.402  2.7147 -4.039223      3.770448  
1 1 1 3  7  28 o 57.966  1.1864 1235.15   50.406  1302.67   74.941   1179.38   68.116   59.429  1.7205 56.562  1.6430 2.866188       2.378962  
1 1 1 3  7  29 o 78.602  1.8217 2282.28   104.951 2572.08   165.609  2087.77   135.673  83.041  2.7209 74.930  2.4703 8.110268       3.675027  
1 1 1 3  7  30 o 66.746  1.3519 1641.18   66.137  1711.64   96.940   1579.83   90.459   67.976  1.9457 65.326  1.8892 2.649849       2.711963  
1 1 1 3  7  31 f 25.646  1.0378 241.988   19.508  255.353   24.736   219.998   31.728   26.317  1.2823 24.294  1.7945 2.023106       2.205603  
1 1 1 3  7  32 o 33.915  0.8110 422.731   20.160  454.801   28.320   389.780   28.706   35.137  1.0996 32.511  1.2046 2.625298       1.631044  
1 1 1 3  8  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  8  1  o 194.700 4.3879 13909.55  626.185 13196.97  725.185  15998.03  1241.50  189.599 5.2183 208.496 8.1240 -18.89726      9.655570  
1 1 1 3  8  2  o 125.270 2.4387 5753.14   223.916 5774.53   284.063  5718.03   363.892  125.489 3.0884 124.849 3.9766 0.6397247      5.034980  
1 1 1 3  8  3  o 350.177 6.8104 45066.04  1748.00 44583.39  2445.19  45570.49  2499.81  347.816 9.5914 351.623 9.6995 -3.807190      13.64094  
1 1 1 3  8  4  o 209.325 4.7020 16079.48  721.411 15202.20  1181.47  16601.01  910.947  203.285 7.9293 212.615 5.8454 -9.330139      9.851048  
1 1 1 3  8  5  o 560.393 12.675 116226.80 5206.07 113382.20 8795.14  117761.10 6459.20  548.203 21.889 562.631 15.663 -14.42841      26.91552  
1 1 1 3  8  6  o 234.009 4.5549 20095.18  781.256 19226.49  1221.43  20696.66  1016.35  228.659 7.2878 237.384 5.8413 -8.725082      9.339904  
1 1 1 3  8  7  o 112.167 2.5351 4612.84   208.422 4398.74   281.693  4871.81   309.816  109.511 3.5094 115.245 3.6678 -5.734024      5.076276  
1 1 1 3  8  8  o 277.380 6.2648 28277.75  1273.70 28310.89  1792.52  28243.94  1810.16  277.154 8.8240 276.808 8.9219 0.3453674      12.54841  
1 1 1 3  8  9  o 124.907 2.4392 5720.51   223.309 5952.55   327.795  5519.56   305.045  127.382 3.5109 122.666 3.3928 4.716278       4.882346  
1 1 1 3  8  10 o 123.854 2.4149 5624.91   219.221 5494.17   303.153  5768.21   317.387  122.372 3.3798 125.384 3.4536 -3.011635      4.832222  
1 1 1 3  8  11 f 149.404 2.9402 8189.07   321.977 7925.47   440.947  8490.16   471.250  146.906 4.0951 152.039 4.2288 -5.133072      5.886652  
1 1 1 3  8  12 o 249.916 4.8805 22974.20  894.014 22623.74  1243.02  23349.77  1286.77  247.561 6.8504 251.467 6.9813 -3.905945      9.780922  
1 1 1 3  8  13 o 189.291 4.2768 13179.19  593.377 12582.51  799.743  13909.96  885.052  184.652 5.9090 194.075 6.2218 -9.423370      8.580670  
1 1 1 3  8  14 o 46.523  0.9444 793.397   32.203  768.701   44.123   821.547   47.107   45.789  1.3147 47.336  1.3577 -1.547104      1.889932  
1 1 1 3  8  15 o 94.148  1.8454 3251.61   127.346 3314.49   183.548  3193.25   176.830  95.006  2.6358 93.255  2.5870 1.750481       3.693288  
1 1 1 3  8  16 o 98.147  2.4510 3537.14   176.320 3340.11   264.492  3694.74   236.550  95.245  3.7887 100.238 3.2196 -4.993454      4.971962  
1 1 1 3  8  17 o 41.069  0.8522 618.280   25.653  680.122   39.363   572.625   33.822   43.068  1.2470 39.519  1.1676 3.548542       1.708303  
1 1 1 3  8  18 o 21.024  0.5407 162.002   8.3315  158.736   11.578   165.509   11.998   20.810  0.7591 21.249  0.7704 -0.4392624     1.081507  
1 1 1 3  8  19 o 90.938  1.7990 3034.50   119.911 3243.22   180.171  2868.53   160.662  93.949  2.6165 88.367  2.4805 5.581612       3.605388  
1 1 1 3  8  20 o 17.753  0.6136 115.517   7.9845  117.141   11.226   113.854   11.359   17.876  0.8568 17.623  0.8794 0.2526741      1.227766  
1 1 1 3  8  21 o 107.503 2.1277 4245.10   167.651 4244.31   235.378  4245.90   238.850  107.373 2.9908 107.387 3.0345 -0.1308441E-01 4.260676  
1 1 1 3  8  22 o 60.064  1.2977 1323.60   57.131  1213.44   79.965   1438.45   81.652   57.475  1.8982 62.586  1.7800 -5.111198      2.602194  
1 1 1 3  8  23 f 53.571  1.2642 1053.12   49.640  1113.72   73.413   1002.08   67.378   55.053  1.8193 52.225  1.7602 2.827866       2.531425  
1 1 1 3  8  24 o 59.936  1.2101 1318.64   53.162  1475.42   83.129   1210.15   69.151   63.338  1.7906 57.379  1.6443 5.959808       2.431037  
1 1 1 3  8  25 o 53.806  1.1010 1062.92   43.421  1085.96   62.928   1041.98   59.990   54.335  1.5801 53.228  1.5376 1.106308       2.204781  
1 1 1 3  8  26 o 95.221  2.1824 3351.38   152.318 3373.56   217.066  3329.86   213.791  95.117  3.1135 94.514  3.0861 0.6038895      4.383857  
1 1 1 3  8  27 o 9.7742  0.6537 35.200    4.6562  29.531    6.4403   41.408    6.7397   8.9111  1.0035 10.585  0.8766 -1.673779      1.332453  
1 1 1 3  8  28 o 12.015  0.5906 52.945    5.2013  53.152    7.4515   52.749    7.2635   12.003  0.8525 11.959  0.8339 0.4407883E-01  1.192553  
1 1 1 3  8  29 o 35.820  0.9135 471.231   23.985  509.592   36.210   441.243   32.015   37.205  1.3279 34.628  1.2614 2.577164       1.831481  
1 1 1 3  8  30 o 22.379  0.6577 183.799   10.789  170.599   15.711   195.578   14.842   21.542  0.9951 23.073  0.8776 -1.531210      1.326771  
1 1 1 3  8  31 o 21.965  0.7070 177.171   11.382  195.234   16.723   161.583   15.535   23.036  0.9904 20.955  1.0115 2.080853       1.415645  
1 1 1 3  8  32 o 11.442  0.6931 48.260    5.7855  54.707    7.8071   40.406    8.6164   12.165  0.8815 10.408  1.1487 1.757756       1.447946  
1 1 1 3  9  0  o 229.767 6.3297 19415.94  1064.16 19787.84  2167.62  19297.84  1221.49  230.696 12.912 228.933 7.2963 0.000000       0.000000  
1 1 1 3  9  1  o 110.495 2.1519 4475.69   174.281 4532.99   223.063  4385.92   279.231  111.190 2.7370 109.355 3.4837 1.834656       4.430323  
1 1 1 3  9  2  o 71.338  1.3949 1865.29   72.934  1897.19   93.754   1816.39   116.073  71.943  1.7780 70.390  2.2498 1.552963       2.867518  
1 1 1 3  9  3  o 265.650 5.1920 25907.79  1010.95 25969.22  1438.53  25847.84  1421.02  265.728 7.3859 265.115 7.3128 0.6125488      10.39366  
1 1 1 3  9  4  o 285.955 6.4227 30049.66  1346.16 30724.87  2380.13  29732.09  1632.31  288.331 11.262 284.250 7.8347 4.080780       13.71944  
1 1 1 3  9  5  o 96.400  1.8861 3406.54   133.270 3299.56   211.574  3476.90   171.591  94.856  3.0431 97.383  2.4040 -2.527443      3.878090  
1 1 1 3  9  6  o 131.932 2.9768 6383.10   287.856 6003.20   467.760  6614.67   365.197  127.871 4.9908 134.280 3.7105 -6.408684      6.218997  
1 1 1 3  9  7  f 112.207 3.1030 4617.63   255.199 5010.88   389.878  4322.83   337.561  116.837 4.5527 108.531 4.2435 8.306015       6.223660  
1 1 1 3  9  8  o 218.369 6.9605 17549.83  1114.07 16280.29  1789.54  18353.23  1423.58  209.197 11.718 223.045 8.7078 -13.84795      14.59923  
1 1 1 3  9  9  o 188.578 3.6841 13051.07  509.211 12720.33  701.571  13419.27  740.250  186.049 5.1448 191.077 5.2855 -5.028488      7.375999  
1 1 1 3  9  10 o 179.011 3.4935 11762.28  458.373 11711.42  644.758  11814.26  651.774  178.485 4.9285 179.264 4.9605 -0.7783508     6.992597  
1 1 1 3  9  11 o 35.543  0.7369 463.012   19.197  462.918   27.120   463.106   27.178   35.538  1.0412 35.545  1.0432 -0.7217407E-02 1.473854  
1 1 1 3  9  12 o 237.786 5.4093 20842.87  942.773 22257.10  1410.65  19701.29  1267.39  244.932 7.8577 230.565 7.4996 14.36641       10.86215  
1 1 1 3  9  13 o 145.213 3.2807 7748.50   349.182 7435.52   475.201  8115.84   514.809  142.074 4.5633 148.402 4.7329 -6.328629      6.574507  
1 1 1 3  9  14 o 44.449  0.9117 724.231   29.704  750.920   43.231   700.364   40.882   45.255  1.3033 43.705  1.2762 1.549496       1.824093  
1 1 1 3  9  15 o 138.426 2.7106 7039.41   275.018 7365.64   406.614  6764.34   373.377  141.411 3.9230 135.544 3.7583 5.866882       5.432734  
1 1 1 3  9  16 o 193.729 4.3848 13846.98  622.616 14511.56  919.059  13283.27  846.442  197.601 6.3456 189.151 6.1053 8.449707       8.805764  
1 1 1 3  9  17 o 165.630 3.2406 10092.36  393.407 10189.28  559.977  9997.90   552.815  166.102 4.5996 164.539 4.5839 1.562973       6.493658  
1 1 1 3  9  18 o 35.802  0.7573 469.862   19.872  455.755   27.362   485.609   28.908   35.257  1.0588 36.393  1.0837 -1.136063      1.515100  
1 1 1 3  9  19 o 33.706  0.7300 416.439   18.035  463.456   27.871   382.571   23.655   35.553  1.0696 32.303  0.9991 3.250050       1.463611  
1 1 1 3  9  20 o 92.457  1.8211 3137.76   123.415 3033.23   168.687  3258.16   181.038  90.837  2.5336 94.135  2.6238 -3.297302      3.647409  
1 1 1 3  9  21 o 83.081  1.7670 2534.25   107.604 2339.83   151.649  2731.38   152.705  79.746  2.5945 86.183  2.4174 -6.436829      3.546156  
1 1 1 3  9  22 o 80.123  1.5931 2357.11   93.558  2329.43   130.163  2386.70   134.570  79.579  2.2316 80.545  2.2794 -0.9658127     3.189939  
1 1 1 3  9  23 o 45.631  1.3390 764.416   44.786  781.033   64.399   748.852   62.325   46.084  1.9066 45.126  1.8843 0.9575577      2.680604  
1 1 1 3  9  24 o 23.034  0.5867 194.535   9.9053  197.818   14.158   191.386   13.863   23.223  0.8318 22.842  0.8280 0.3805561      1.173664  
1 1 1 3  9  25 o 29.774  0.6802 325.143   14.844  337.196   21.679   314.503   20.368   30.309  0.9759 29.272  0.9493 1.036394       1.361454  
1 1 1 3  9  26 o 58.694  1.1936 1266.20   51.350  1228.15   70.965   1308.02   74.397   57.723  1.6773 59.565  1.7041 -1.841965      2.391080  
1 1 1 3  9  27 o 36.543  0.7939 490.079   21.264  478.285   29.334   503.141   30.870   36.076  1.1093 36.999  1.1383 -0.9228439     1.589458  
1 1 1 3  9  28 o 14.092  0.5569 72.835    5.7519  79.177    8.4595   67.382    7.8441   14.666  0.7899 13.526  0.7947 1.140297       1.120490  
1 1 1 3  9  29 o 32.645  0.8518 391.374   20.382  395.649   29.198   387.310   28.466   32.788  1.2149 32.443  1.1971 0.3453636      1.705602  
1 1 1 3  9  30 o 60.854  1.3211 1365.72   58.924  1345.98   88.832   1381.23   78.740   60.162  2.0145 61.050  1.7597 -0.8875809     2.674824  
1 1 1 3  9  31 o 73.826  1.4933 2016.70   80.805  2265.71   127.171  1848.09   104.646  77.794  2.2303 70.388  2.0283 7.406013       3.014688  
1 1 1 3  9  32 o 51.508  1.0745 977.405   40.565  946.802   55.755   1011.82   59.129   50.569  1.5042 52.263  1.5436 -1.693542      2.155308  
1 1 1 3  10 0  o 298.453 8.2506 32797.87  1801.74 34603.86  3788.23  32269.90  2048.24  304.290 17.109 295.814 9.4687 0.000000       0.000000  
1 1 1 3  10 1  o 195.432 3.7938 14011.74  543.443 14333.29  785.570  13716.64  752.579  197.556 5.4252 193.268 5.3127 4.288010       7.593225  
1 1 1 3  10 2  o 90.651  1.7712 3012.28   117.688 3114.79   153.766  2867.31   182.860  92.174  2.2760 88.427  2.8213 3.746460       3.624913  
1 1 1 3  10 3  o 166.841 3.4691 10210.41  424.223 9976.98   632.863  10400.88  571.676  164.828 5.2384 168.331 4.6335 -3.502518      6.993539  
1 1 1 3  10 4  o 171.300 4.7280 10772.52  593.635 11811.35  1293.44  10495.31  668.164  178.576 9.9210 169.038 5.3929 9.538055       11.29200  
1 1 1 3  10 5  o 152.120 2.9586 8486.63   329.881 8585.95   544.356  8428.99   414.702  152.915 4.8568 151.571 3.7328 1.344559       6.125587  
1 1 1 3  10 6  o 205.769 4.0013 15539.00  603.483 15417.96  977.037  15613.66  767.361  204.727 6.5111 206.173 5.0779 -1.445938      8.257097  
1 1 1 3  10 7  o 118.793 2.3184 5174.42   201.864 5327.14   338.522  5090.14   251.465  120.477 3.8336 117.803 2.9123 2.674072       4.814334  
1 1 1 3  10 8  o 146.045 3.2802 7826.57   351.130 7883.80   500.235  7770.99   492.989  146.484 4.6591 145.435 4.6247 1.049118       6.564721  
1 1 1 3  10 9  o 153.486 3.2095 8646.15   361.070 8520.83   472.631  8821.80   559.567  152.288 4.2342 154.885 4.9290 -2.596588      6.498025  
1 1 1 3  10 10 o 146.517 2.8613 7878.28   307.279 7797.04   429.704  7963.30   439.580  145.660 4.0248 147.200 4.0743 -1.539825      5.727022  
1 1 1 3  10 11 o 97.983  1.9230 3521.23   138.106 3442.40   190.705  3608.17   200.269  96.845  2.6866 99.145  2.7559 -2.300430      3.848742  
1 1 1 3  10 12 o 72.679  1.6593 1937.22   88.393  1858.06   119.670  2032.25   131.127  71.156  2.2945 74.412  2.4042 -3.255638      3.323400  
1 1 1 3  10 13 o 117.352 2.2954 5054.83   197.439 5153.82   284.189  4962.46   274.503  118.401 3.2747 116.188 3.2233 2.213181       4.594955  
1 1 1 3  10 14 o 91.565  1.9283 3076.45   129.417 2946.67   188.514  3192.14   177.987  89.545  2.8722 93.223  2.6049 -3.677925      3.877508  
1 1 1 3  10 15 o 187.405 5.2017 12996.17  714.515 12554.24  976.678  13505.04  1048.05  183.354 7.2674 190.043 7.5240 -6.689407      10.46068  
1 1 1 3  10 16 o 14.257  0.9283 74.833    9.6476  76.839    13.180   72.518    14.161   14.421  1.2596 13.992  1.3995 0.4286995      1.882872  
1 1 1 3  10 17 o 65.916  1.5192 1593.77   73.400  1545.81   101.113  1647.20   106.721  64.889  2.1260 66.980  2.1738 -2.091591      3.040593  
1 1 1 3  10 18 o 75.528  1.5055 2092.57   83.343  1947.04   109.622  2291.92   128.299  72.824  2.0537 78.999  2.2158 -6.175293      3.021166  
1 1 1 3  10 19 o 45.121  1.0672 746.519   35.294  719.242   48.226   777.979   51.791   44.278  1.4860 46.049  1.5345 -1.770916      2.136068  
1 1 1 3  10 20 o 106.118 2.0846 4136.94   162.142 4026.44   222.988  4260.91   236.188  104.572 2.9093 107.558 2.9959 -2.986473      4.176076  
1 1 1 3  10 21 o 82.284  1.6299 2485.92   98.303  2481.55   138.911  2490.30   139.133  82.135  2.3074 82.279  2.3071 -0.1447830     3.262939  
1 1 1 3  10 22 o 89.026  1.7562 2912.39   114.594 2942.87   163.809  2883.17   160.367  89.368  2.5008 88.462  2.4733 0.9058990      3.517283  
1 1 1 3  10 23 o 40.433  0.9814 599.813   29.085  615.845   42.172   585.272   40.165   40.946  1.4052 39.918  1.3727 1.027164       1.964439  
1 1 1 3  10 24 o 21.445  0.5667 168.626   8.9076  161.218   12.303   176.789   12.914   20.963  0.8007 21.952  0.8026 -0.9890099     1.133690  
1 1 1 3  10 25 o 25.836  0.7215 244.865   13.664  249.725   19.583   240.255   19.074   26.078  1.0245 25.579  1.0173 0.4988747      1.443846  
1 1 1 3  10 26 o 21.194  0.5713 164.730   8.8739  169.620   12.791   160.191   12.322   21.498  0.8117 20.892  0.8046 0.6058445      1.142964  
1 1 1 3  10 27 o 11.906  0.5952 51.996    5.1943  54.495    7.4009   49.570    7.2919   12.155  0.8358 11.587  0.8648 0.5677261      1.202662  
1 1 1 3  10 28 o 22.677  0.5986 188.633   9.9491  203.401   14.831   176.551   13.415   23.535  0.8597 21.928  0.8347 1.607092       1.198266  
1 1 1 3  10 29 f 51.739  1.2467 985.892   47.277  990.116   67.553   981.836   66.188   51.717  1.7821 51.509  1.7531 0.2083893      2.499875  
1 1 1 3  10 30 o 56.804  1.1639 1189.09   48.461  1252.30   71.790   1136.17   65.686   58.119  1.6852 55.384  1.6181 2.735428       2.336296  
1 1 1 3  10 31 o 51.705  1.0707 985.092   40.578  997.658   58.077   973.106   56.720   51.889  1.5270 51.253  1.5099 0.6361847      2.147444  
1 1 1 3  11 0  o 313.527 8.6692 36223.73  1988.76 34649.09  3800.21  36817.63  2333.86  304.146 17.172 315.784 10.107 0.000000       0.000000  
1 1 1 3  11 1  o 131.824 2.5625 6372.15   247.592 6477.44   355.647  6273.12   344.896  132.869 3.6519 130.759 3.5986 2.110138       5.126993  
1 1 1 3  11 2  o 145.013 2.8183 7712.08   299.551 7638.07   375.304  7841.97   497.219  144.286 3.5488 146.141 4.6419 -1.855331      5.843009  
1 1 1 3  11 3  o 173.569 3.6073 11053.88  458.921 10650.77  675.953  11398.58  625.056  170.247 5.4170 176.170 4.8407 -5.923096      7.264691  
1 1 1 3  11 4  o 160.276 3.5977 9426.22   422.648 9805.17   760.557  9256.90   508.371  163.248 6.3563 158.783 4.3681 4.465210       7.712512  
1 1 1 3  11 5  o 130.013 2.5340 6198.97   241.479 6206.42   394.695  6194.51   305.281  130.016 4.1417 129.939 3.2054 0.7711792E-01  5.237225  
1 1 1 3  11 6  o 56.597  1.1275 1174.09   46.774  1216.50   78.632   1150.86   58.189   57.602  1.8624 56.032  1.4168 1.570557       2.340098  
1 1 1 3  11 7  o 63.723  1.2543 1488.48   58.583  1522.43   97.866   1469.53   73.134   64.434  2.0722 63.312  1.5760 1.121330       2.603428  
1 1 1 3  11 8  o 204.056 4.5995 15312.53  687.924 15517.77  985.939  15117.82  960.309  205.055 6.5599 202.414 6.4728 2.641144       9.215709  
1 1 1 3  11 9  o 92.347  2.0851 3127.95   141.137 3097.84   197.773  3159.20   201.474  91.863  2.9373 92.767  2.9631 -0.9040222     4.172209  
1 1 1 3  11 10 o 114.993 2.2460 4851.78   189.308 4786.91   263.786  4920.68   271.841  114.157 3.1526 115.737 3.2045 -1.579727      4.495305  
1 1 1 3  11 11 o 53.274  1.0662 1040.46   41.633  1072.65   60.468   1011.44   57.409   54.084  1.5254 52.518  1.4914 1.565125       2.133294  
1 1 1 3  11 12 o 53.218  1.4972 1038.64   58.399  997.856   79.261   1087.06   86.374   52.146  2.0738 54.424  2.1653 -2.277744      2.998149  
1 1 1 3  11 13 o 96.584  1.8927 3422.96   133.988 3241.04   179.441  3652.21   201.434  93.930  2.6064 99.696  2.7566 -5.766373      3.793682  
1 1 1 3  11 14 o 77.858  1.5437 2223.51   88.096  2129.31   119.114  2337.26   130.890  76.160  2.1338 79.786  2.2382 -3.625565      3.092371  
1 1 1 3  11 15 o 139.186 2.7270 7120.14   278.203 7272.01   400.750  6978.86   386.514  140.453 3.8928 137.605 3.8322 2.847641       5.462566  
1 1 1 3  11 16 o 112.624 2.2046 4657.60   181.991 4683.32   258.852  4632.46   255.921  112.823 3.1302 112.211 3.1116 0.6117096      4.413668  
1 1 1 3  11 17 o 53.416  1.2464 1046.38   48.799  1059.85   69.916   1033.57   68.143   53.741  1.7750 53.071  1.7518 0.6695786      2.493849  
1 1 1 3  11 18 o 110.856 2.1748 4513.91   176.713 4716.88   260.108  4339.91   240.826  113.183 3.1354 108.584 3.0259 4.599480       4.357387  
1 1 1 3  11 19 o 122.971 3.4198 5577.20   308.233 5670.57   443.587  5490.03   428.613  123.586 4.8970 121.631 4.8077 1.954948       6.862577  
1 1 1 3  11 20 o 61.574  1.2309 1390.89   55.554  1456.46   81.930   1335.08   75.583   62.974  1.7750 60.297  1.7102 2.676708       2.464829  
1 1 1 3  11 21 o 99.030  1.9489 3605.30   141.460 3579.81   198.949  3631.36   201.180  98.525  2.7549 99.230  2.7661 -0.7043686     3.903960  
1 1 1 3  11 22 o 16.106  0.5302 95.098    6.2595  84.690    8.3668   108.328   9.4334   15.197  0.7511 17.187  0.7488 -1.990515      1.060627  
1 1 1 3  11 23 o 44.570  1.0678 729.202   34.883  693.034   47.140   772.982   51.863   43.417  1.4813 45.847  1.5434 -2.429790      2.139203  
1 1 1 3  11 24 o 23.201  0.5842 197.388   9.9340  202.044   14.222   192.952   13.882   23.465  0.8269 22.931  0.8260 0.5340233      1.168725  
1 1 1 3  11 25 o 71.491  2.0411 1890.40   106.954 1703.22   135.578  2198.83   174.033  67.613  2.7358 76.647  3.0978 -9.033432      4.132900  
1 1 1 3  11 26 o 25.008  0.8629 229.609   15.816  215.957   21.178   246.825   23.783   24.234  1.1923 25.903  1.2526 -1.669502      1.729357  
1 1 1 3  11 27 o 35.579  1.0921 465.390   28.480  435.338   37.775   504.972   43.353   34.363  1.4998 36.994  1.5989 -2.631203      2.192228  
1 1 1 3  11 28 f 37.819  1.0394 525.891   28.813  498.033   35.572   579.031   49.130   36.767  1.3200 39.577  1.6936 -2.810020      2.147269  
1 1 1 3  11 29 f 36.318  1.0328 485.342   27.493  441.418   40.435   523.110   37.494   34.539  1.5972 37.650  1.3587 -3.110264      2.096919  
1 1 1 3  11 30 o 3.6900  1.4468 2.9587    5.7018  -3.2772   7.7038   10.513    8.4789   3.3875  1.5145 5.4558  1.8138 -2.068361      2.363008  
1 1 1 3  11 31 o 17.398  0.5881 111.115   7.4998  112.749   10.555   109.449   10.659   17.511  0.8223 17.252  0.8429 0.2596321      1.177612  
1 1 1 3  12 0  o 97.589  2.7004 3499.70   192.822 3812.80   418.617  3415.38   217.240  101.432 5.6712 96.363  3.0829 0.000000       0.000000  
1 1 1 3  12 1  o 227.526 4.4249 19016.24  737.936 19241.89  1056.37  18801.17  1031.28  228.598 6.3047 225.978 6.2263 2.619904       8.860905  
1 1 1 3  12 2  o 248.385 4.8342 22675.18  880.089 22845.68  1253.28  22509.30  1236.17  248.953 6.8683 247.122 6.8247 1.830521       9.682474  
1 1 1 3  12 3  o 352.125 7.9555 45814.68  2053.26 48058.57  3727.81  44837.48  2460.05  357.451 14.228 347.680 9.6535 9.771637       17.19410  
1 1 1 3  12 4  o 222.973 5.0107 18284.59  818.903 17944.39  1392.86  18464.30  1012.35  220.128 8.6328 223.863 6.1698 -3.734680      10.61089  
1 1 1 3  12 5  f 154.542 3.0081 8765.06   340.735 8605.84   545.878  8866.70   436.131  152.959 4.8690 155.368 3.8298 -2.409302      6.194700  
1 1 1 3  12 6  o 155.596 3.0282 8886.59   345.354 8711.21   553.491  8998.40   441.934  153.854 4.9082 156.495 3.8528 -2.640411      6.239738  
1 1 1 3  12 7  o 59.845  1.1819 1312.87   51.842  1376.04   88.841   1280.25   63.839   61.252  1.9788 59.092  1.4739 2.160366       2.467425  
1 1 1 3  12 8  o 86.596  1.6980 2749.97   107.775 2689.41   172.639  2788.64   137.960  85.591  2.7519 87.185  2.1589 -1.593681      3.497672  
1 1 1 3  12 9  o 77.143  1.9176 2183.05   108.425 2120.95   166.761  2228.52   142.707  75.984  2.9943 77.916  2.4988 -1.931190      3.899968  
1 1 1 3  12 10 o 160.543 3.1274 9473.54   368.005 9433.99   518.274  9513.75   522.628  159.973 4.4201 160.644 4.4386 -0.6708527     6.264052  
1 1 1 3  12 11 o 57.164  1.1366 1198.09   47.622  1240.65   69.570   1160.56   65.325   58.158  1.6321 56.251  1.5844 1.906940       2.274637  
1 1 1 3  12 12 o 160.340 3.6155 9467.42   424.907 9677.15   613.295  9273.81   589.245  161.698 5.1747 158.321 5.0778 3.376709       7.249949  
1 1 1 3  12 13 o 54.957  1.0989 1107.39   44.263  1158.28   65.166   1063.79   60.311   56.191  1.5822 53.852  1.5280 2.338848       2.199567  
1 1 1 3  12 14 o 150.025 2.9277 8277.17   321.938 8464.87   465.084  8104.50   446.089  151.443 4.1899 148.205 4.1066 3.238159       5.866774  
1 1 1 3  12 15 o 80.265  1.5855 2363.51   93.279  2359.51   131.151  2367.60   132.697  80.155  2.2323 80.291  2.2548 -0.1355286     3.172932  
1 1 1 3  12 16 o 41.498  0.8576 631.315   26.087  670.766   38.823   598.841   35.223   42.767  1.2385 40.410  1.1892 2.356827       1.716997  
1 1 1 3  12 17 o 78.326  1.7966 2251.97   103.146 2142.79   139.547  2383.46   153.140  76.348  2.4937 80.511  2.5951 -4.163193      3.599035  
1 1 1 3  12 18 o 72.979  1.4449 1954.09   77.289  1991.27   111.218  1919.37   107.485  73.626  2.0609 72.287  2.0286 1.338837       2.891848  
1 1 1 3  12 19 o 51.439  1.2069 970.659   45.506  1004.37   66.145   940.365   62.703   52.299  1.7255 50.607  1.6904 1.691788       2.415578  
1 1 1 3  12 20 o 68.425  1.3641 1718.51   68.414  1721.56   96.956   1715.48   96.548   68.433  1.9330 68.313  1.9282 0.1204224      2.730296  
1 1 1 3  12 21 o 111.396 2.2000 4570.55   179.624 4799.71   266.397  4379.51   243.234  113.839 3.1927 108.792 3.0503 5.047546       4.415633  
1 1 1 3  12 22 o 67.826  1.3556 1690.21   67.392  1675.25   94.325   1705.82   96.320   67.441  1.9082 68.050  1.9311 -0.6084900     2.714843  
1 1 1 3  12 23 o 42.548  0.8886 664.404   27.713  667.735   39.201   661.076   39.184   42.625  1.2547 42.411  1.2605 0.2136307      1.778550  
1 1 1 3  12 24 o 45.666  1.0221 765.936   34.209  745.209   44.442   796.074   53.590   45.007  1.3472 46.485  1.5729 -1.478146      2.070978  
1 1 1 3  12 25 o 43.017  1.0449 679.943   32.946  771.140   51.650   617.383   42.779   45.740  1.5406 40.943  1.4255 4.796379       2.098943  
1 1 1 3  12 26 o 16.801  0.5407 103.527   6.6580  109.103   9.5488   98.251    9.2881   17.241  0.7556 16.361  0.7746 0.8805237      1.082083  
1 1 1 3  12 27 o 63.261  1.3714 1474.68   63.590  1414.20   80.984   1571.92   102.694  61.833  1.7869 65.054  2.1537 -3.221394      2.798482  
1 1 1 3  12 28 o 36.538  0.7959 490.328   21.315  508.957   31.080   473.788   29.286   37.183  1.1404 35.879  1.1136 1.303951       1.593965  
1 1 1 3  12 29 o 29.898  0.8077 328.529   17.700  311.398   24.037   348.823   26.162   29.068  1.1282 30.760  1.1604 -1.692202      1.618418  
1 1 1 3  12 30 o 5.3027  1.3259 10.803    5.1396  8.8467    6.9488   13.166    7.6368   4.9868  1.6413 5.8816  1.6850 -0.8948565     2.352258  
1 1 1 3  13 0  o 69.589  1.9325 1779.42   98.398  1736.85   192.061  1794.57   114.577  68.475  3.8546 69.854  2.2431 0.000000       0.000000  
1 1 1 3  13 1  o 63.985  1.2552 1500.81   58.867  1510.96   83.817   1490.94   82.695   64.192  1.7815 63.765  1.7694 0.4265633      2.510820  
1 1 1 3  13 2  o 83.155  1.6278 2535.36   99.216  2481.02   137.765  2593.91   143.006  82.240  2.2855 84.089  2.3202 -1.848984      3.256818  
1 1 1 3  13 3  o 283.649 6.4335 29717.63  1337.54 27787.82  2163.26  30911.98  1701.83  272.340 10.837 288.659 8.0436 -16.31967      13.49607  
1 1 1 3  13 4  o 108.067 2.4337 4285.15   192.770 4340.24   338.746  4258.76   234.431  108.625 4.2547 107.702 2.9697 0.9224854      5.188561  
1 1 1 3  13 5  o 92.675  1.8087 3149.89   122.860 3097.63   197.471  3182.90   156.932  91.848  2.9333 93.139  2.2988 -1.290230      3.726732  
1 1 1 3  13 6  f 58.278  1.1488 1245.09   49.073  1254.76   80.864   1239.45   61.741   58.488  1.8863 58.140  1.4488 0.3473625      2.378503  
1 1 1 3  13 7  o 49.311  0.9858 891.361   35.631  903.470   58.881   884.365   44.756   49.633  1.6185 49.113  1.2433 0.5202560      2.040945  
1 1 1 3  13 8  o 52.966  1.0535 1028.47   40.900  1005.04   65.524   1043.43   52.351   52.344  1.7079 53.344  1.3389 -0.9998398     2.170147  
1 1 1 3  13 9  f 132.956 2.9995 6498.02   292.303 6655.16   422.667  6353.97   404.677  134.342 4.2924 131.283 4.2055 3.058868       6.009265  
1 1 1 3  13 10 o 59.731  1.1849 1308.19   51.876  1317.39   73.774   1299.20   72.961   59.925  1.6796 59.510  1.6727 0.4147987      2.370486  
1 1 1 3  13 11 o 185.445 3.8757 12678.38  526.804 12436.75  683.011  13033.20  827.690  183.278 5.0844 187.235 6.0311 -3.956772      7.888301  
1 1 1 3  13 12 o 146.755 3.3105 7928.60   356.093 8053.31   510.691  7810.58   496.780  147.561 4.7218 145.337 4.6635 2.224533       6.636489  
1 1 1 3  13 13 o 29.634  0.6455 321.889   14.020  340.615   20.693   306.001   19.061   30.481  0.9262 28.891  0.9001 1.589954       1.291571  
1 1 1 3  13 14 f 90.178  1.7734 2984.39   117.214 3092.60   171.532  2889.59   160.544  91.731  2.5512 88.677  2.4700 3.053833       3.551035  
1 1 1 3  13 15 o 65.460  1.2980 1571.62   62.278  1633.50   91.333   1517.85   85.142   66.708  1.8680 64.307  1.8064 2.401466       2.598505  
1 1 1 3  13 16 o 129.591 2.5451 6175.32   241.744 5881.69   326.071  6533.69   360.231  126.279 3.5229 133.052 3.6938 -6.773048      5.104436  
1 1 1 3  13 17 o 70.896  1.6225 1844.79   84.314  1797.14   116.322  1897.53   122.386  69.925  2.2696 71.846  2.3241 -1.921288      3.248442  
1 1 1 3  13 18 o 18.433  0.5375 124.549   7.2627  122.954   10.154   126.220   10.392   18.313  0.7565 18.555  0.7641 -0.2415638     1.075254  
1 1 1 3  13 19 o 71.051  1.4122 1853.14   73.541  1804.45   101.262  1907.49   106.980  70.056  1.9721 72.022  2.0265 -1.965927      2.827703  
1 1 1 3  13 20 o 43.858  0.9065 705.513   29.141  712.281   41.605   698.995   40.829   44.049  1.2887 43.636  1.2766 0.4120560      1.813895  
1 1 1 3  13 21 o 68.173  1.3635 1707.50   68.130  1780.14   99.996   1644.56   93.077   69.515  1.9626 66.826  1.9003 2.688766       2.731787  
1 1 1 3  13 22 o 62.713  1.2572 1445.35   57.787  1448.55   81.837   1442.18   81.610   62.695  1.7809 62.558  1.7798 0.1378555      2.517811  
1 1 1 3  13 23 o 41.103  0.8655 620.114   26.075  650.363   38.330   594.056   35.575   42.059  1.2434 40.200  1.2074 1.858204       1.733119  
1 1 1 3  13 24 o 38.229  0.9468 536.776   26.529  550.871   38.525   524.064   36.586   38.682  1.3588 37.733  1.3228 0.9484215      1.896362  
1 1 1 3  13 25 o 79.455  1.5832 2329.29   92.199  2484.23   138.491  2205.96   123.561  81.745  2.3114 77.089  2.1868 4.656715       3.181948  
1 1 1 3  13 26 o 46.438  0.9614 792.479   32.725  796.213   46.373   788.775   46.187   46.484  1.3611 46.266  1.3620 0.2177963      1.925491  
1 1 1 3  13 27 o 62.980  1.2702 1461.56   58.637  1435.40   81.418   1489.76   84.520   62.250  1.7844 63.405  1.8187 -1.154617      2.547901  
1 1 1 3  13 28 o 24.555  0.6207 221.326   11.172  205.646   15.003   240.837   16.736   23.651  0.8655 25.592  0.8922 -1.941195      1.243022  
1 1 1 3  13 29 o 13.306  0.6740 65.198    6.5518  64.397    9.1216   66.051    9.4169   13.192  0.9497 13.359  0.9683 -0.1667118     1.356289  
1 1 1 3  13 30 o 36.797  0.8146 497.988   21.971  496.575   30.995   499.415   31.147   36.681  1.1529 36.785  1.1552 -0.1042137     1.632083  
1 1 1 3  14 0  o 188.527 5.2146 13101.04  719.328 12751.03  1399.25  13226.77  838.630  184.383 10.430 189.241 6.0602 0.000000       0.000000  
1 1 1 3  14 1  o 82.147  1.6054 2474.71   96.662  2456.01   135.567  2494.05   137.863  81.809  2.2609 82.439  2.2816 -0.6300812     3.212018  
1 1 1 3  14 2  o 71.389  1.4017 1868.73   73.343  1864.13   103.669  1873.34   103.777  71.282  1.9842 71.459  1.9814 -0.1761475     2.804089  
1 1 1 3  14 3  o 132.488 2.9790 6448.84   289.284 6175.78   679.431  6509.30   319.712  128.678 7.2331 133.072 3.2779 -4.394531      7.941180  
1 1 1 3  14 4  o 122.828 2.5589 5539.76   230.373 5535.70   351.915  5542.80   304.746  122.624 3.9155 122.772 3.3865 -0.1486740     5.176813  
1 1 1 3  14 5  o 40.406  0.8151 598.445   24.139  597.327   39.493   599.112   30.500   40.361  1.3350 40.425  1.0293 -0.6491089E-01 1.685759  
1 1 1 3  14 6  o 121.901 2.3763 5456.17   212.321 5402.08   343.558  5489.60   270.069  121.105 3.8704 122.203 3.0152 -1.097794      4.906265  
1 1 1 3  14 7  o 126.880 2.4760 5912.79   230.266 5897.39   376.188  5922.02   291.190  126.480 4.0579 126.896 3.1308 -0.4149475     5.125245  
1 1 1 3  14 8  o 74.503  1.4640 2035.91   79.947  2026.94   130.215  2041.34   101.284  74.287  2.3915 74.584  1.8527 -0.2962875     3.025196  
1 1 1 3  14 9  o 57.570  1.3188 1215.49   55.648  1235.49   79.999   1196.74   77.459   58.020  1.8812 57.104  1.8506 0.9156380      2.638872  
1 1 1 3  14 10 o 100.027 2.2637 3674.81   165.964 3485.34   273.838  3784.80   208.652  97.214  3.8431 101.453 2.8059 -4.239166      4.758444  
1 1 1 3  14 11 o 65.597  1.4944 1578.53   71.852  1631.16   104.722  1531.71   98.768   66.647  2.1437 64.587  2.0864 2.060158       2.991413  
1 1 1 3  14 12 o 94.180  1.8468 3255.65   127.482 3339.70   184.647  3179.10   176.222  95.311  2.6431 92.997  2.5853 2.313515       3.697281  
1 1 1 3  14 13 o 80.639  1.5850 2385.90   93.679  2347.83   130.458  2426.42   134.604  79.948  2.2263 81.272  2.2596 -1.324142      3.172121  
1 1 1 3  14 14 o 12.773  0.4978 59.800    4.6602  64.177    6.7428   55.798    6.4480   13.213  0.6987 12.317  0.7174 0.8963919      1.001405  
1 1 1 3  14 15 o 111.875 2.1930 4599.00   179.824 4754.25   262.511  4461.73   246.833  113.589 3.1530 110.056 3.0599 3.532509       4.393711  
1 1 1 3  14 16 o 65.764  1.3078 1586.62   63.038  1626.23   91.330   1550.58   87.117   66.544  1.8725 64.980  1.8291 1.563095       2.617621  
1 1 1 3  14 17 o 86.340  1.9677 2739.53   124.521 2957.95   189.217  2572.67   165.379  89.574  2.8820 83.567  2.7000 6.006950       3.949166  
1 1 1 3  14 18 o 50.806  1.1955 947.163   44.520  890.878   59.115   1020.92   67.671   49.247  1.6377 52.710  1.7516 -3.463150      2.397915  
1 1 1 3  14 19 o 37.106  0.7871 504.913   21.407  542.952   32.192   474.754   28.664   38.464  1.1418 35.970  1.0872 2.494408       1.576650  
1 1 1 3  14 20 o 37.796  0.7995 523.994   22.148  528.847   31.543   519.275   31.107   37.954  1.1339 37.610  1.1284 0.3447266      1.599691  
1 1 1 3  14 21 o 88.664  1.7527 2896.59   113.904 2982.12   165.437  2819.51   157.057  89.709  2.5160 87.251  2.4559 2.457428       3.515921  
1 1 1 3  14 22 o 53.800  1.0911 1063.45   43.027  1093.60   62.392   1036.12   59.416   54.485  1.5623 53.040  1.5283 1.445389       2.185543  
1 1 1 3  14 23 o 46.436  0.9619 792.118   32.738  825.638   47.942   762.831   44.813   47.349  1.3814 45.519  1.3432 1.830521       1.926759  
1 1 1 3  14 24 o 56.373  1.6332 1173.13   67.483  1125.11   92.253   1228.41   98.971   55.015  2.2878 57.463  2.3499 -2.447792      3.279620  
1 1 1 3  14 25 o 14.737  0.5657 79.666    6.1105  79.436    8.5859   79.902    8.6984   14.687  0.8006 14.729  0.8088 -0.4240799E-01 1.138059  
1 1 1 3  14 26 o 7.6786  0.7580 21.859    4.2103  19.138    5.8128   24.862    6.1064   7.1210  1.1531 8.1556  1.0456 -1.034589      1.556604  
1 1 1 3  14 27 o 25.059  0.6216 230.482   11.416  237.745   16.379   223.621   15.920   25.431  0.8787 24.663  0.8807 0.7671165      1.244077  
1 1 1 3  14 28 o 20.924  0.5893 160.728   9.0373  164.760   12.954   156.905   12.614   21.166  0.8350 20.656  0.8332 0.5105934      1.179563  
1 1 1 3  14 29 o 21.218  1.2115 166.895   18.763  215.378   31.503   140.245   23.357   23.957  1.8074 19.343  1.6636 4.614271       2.456473  
1 1 1 3  15 0  o 66.569  1.8518 1628.79   90.193  1625.20   179.786  1629.99   104.263  66.198  3.7325 66.561  2.1422 0.000000       0.000000  
1 1 1 3  15 1  o 112.173 2.1877 4619.25   179.873 4712.76   259.257  4532.45   249.766  113.202 3.1246 111.022 3.0693 2.179817       4.379952  
1 1 1 3  15 2  o 33.186  0.6780 403.667   16.493  396.910   23.037   410.770   23.621   32.904  0.9552 33.473  0.9628 -0.5694695     1.356241  
1 1 1 3  15 3  o 51.851  1.1849 985.793   45.032  944.902   106.449  994.706   49.698   50.617  2.8811 52.082  1.3019 -1.464394      3.161620  
1 1 1 3  15 4  o 67.925  1.3369 1692.02   66.560  1686.99   132.805  1693.71   76.919   67.753  2.6742 67.951  1.5444 -0.1973724     3.088155  
1 1 1 3  15 5  o 41.253  0.8313 623.857   25.135  616.724   41.008   628.149   31.811   41.007  1.3644 41.391  1.0486 -0.3844681     1.720752  
1 1 1 3  15 6  o 140.844 2.7464 7293.23   283.519 7107.05   451.647  7414.32   364.225  138.677 4.4434 141.867 3.5027 -3.189667      5.657983  
1 1 1 3  15 7  o 133.261 2.5967 6527.51   253.637 6483.71   411.573  6554.32   322.063  132.487 4.2383 133.415 3.2935 -0.9271698     5.367517  
1 1 1 3  15 8  o 123.132 2.4032 5570.96   216.895 5632.45   357.845  5535.24   272.695  123.535 3.9520 122.642 3.0336 0.8934097      4.982104  
1 1 1 3  15 9  o 144.278 2.8149 7656.74   297.681 7924.10   502.822  7512.47   369.366  146.301 4.6890 142.763 3.5299 3.538330       5.869177  
1 1 1 3  15 10 f 61.453  1.4070 1385.31   63.376  1324.34   105.439  1419.80   79.299   60.032  2.3963 62.198  1.7394 -2.166107      2.961051  
1 1 1 3  15 11 o 25.159  0.6479 232.014   11.948  244.024   21.679   226.775   14.319   25.796  1.1466 24.872  0.7855 0.9242229      1.389824  
1 1 1 3  15 12 o 62.617  1.2393 1438.05   56.878  1434.80   80.216   1441.34   80.661   62.522  1.7504 62.664  1.7562 -0.1420822     2.479542  
1 1 1 3  15 13 o 157.791 3.0855 9172.21   356.856 9245.74   507.977  9100.57   501.427  158.005 4.3862 156.768 4.3638 1.237076       6.187270  
1 1 1 3  15 14 o 171.405 3.3523 10838.40  421.163 10540.06  579.308  11172.87  613.382  168.499 4.6906 173.418 4.8256 -4.919678      6.729711  
1 1 1 3  15 15 o 45.067  0.9170 744.756   30.293  750.922   43.121   738.749   42.564   45.241  1.3004 44.873  1.2941 0.3679504      1.834627  
1 1 1 3  15 16 o 45.021  0.9201 743.294   30.363  703.284   40.754   793.212   45.522   43.779  1.2700 46.491  1.3359 -2.711720      1.843251  
1 1 1 3  15 17 f 77.110  1.5248 2183.75   86.181  2108.69   117.777  2270.25   126.439  75.697  2.1228 78.531  2.1966 -2.834709      3.054733  
1 1 1 3  15 18 o 35.308  1.4904 457.996   38.571  458.745   54.299   457.234   54.800   35.231  2.1125 35.169  2.1360 0.6153870E-01  3.004173  
1 1 1 3  15 19 o 18.636  0.5357 127.325   7.3172  141.313   10.806   115.480   9.9436   19.629  0.7511 17.744  0.7646 1.884823       1.071785  
1 1 1 3  15 20 o 22.098  0.5708 179.073   9.2448  178.914   13.022   179.234   13.127   22.082  0.8045 22.102  0.8104 -0.1949692E-01 1.141899  
1 1 1 3  15 21 o 49.259  1.0107 891.273   36.491  854.072   49.495   935.579   54.014   48.169  1.4019 50.406  1.4620 -2.236450      2.025504  
1 1 1 3  15 22 o 47.775  0.9853 838.608   34.502  907.219   52.198   785.370   45.980   49.620  1.4352 46.180  1.3584 3.439285       1.976129  
1 1 1 3  15 23 o 11.995  0.6105 52.922    5.3501  59.539    8.2196   48.057    7.0473   12.701  0.8886 11.408  0.8489 1.292618       1.228874  
1 1 1 3  15 24 o 30.188  1.3446 335.865   29.752  328.660   40.734   344.104   43.560   29.727  1.8792 30.399  1.9655 -0.6725292     2.719303  
1 1 1 3  15 25 o 53.449  1.0907 1051.20   42.730  1056.38   60.640   1046.09   60.221   53.472  1.5472 53.212  1.5440 0.2600861      2.185848  
1 1 1 3  15 26 o 30.043  0.8127 331.638   17.896  345.026   26.149   319.842   24.546   30.601  1.1659 29.467  1.1365 1.134035       1.628133  
1 1 1 3  15 27 f 17.021  0.5751 106.344   7.1743  113.641   10.444   99.825    9.8718   17.581  0.8105 16.477  0.8174 1.103706       1.151142  
1 1 1 3  15 28 o 30.666  0.7126 345.652   16.016  319.180   21.135   381.361   24.547   29.430  0.9798 32.158  1.0414 -2.727699      1.429883  
1 1 1 3  16 0  o 5.9721  0.7080 13.614    2.9844  10.457    4.7344   15.696    3.8444   4.7340  1.5415 6.3730  0.8687 0.000000       0.000000  
1 1 1 3  16 1  o 64.113  1.2592 1507.51   59.172  1521.34   84.419   1494.16   82.964   64.383  1.7889 63.806  1.7740 0.5768242      2.519363  
1 1 1 3  16 2  o 93.381  1.8252 3200.67   124.925 3229.29   206.165  3184.06   157.039  93.675  3.0027 93.097  2.3014 0.5786438      3.783192  
1 1 1 3  16 3  o 116.013 2.6129 4948.15   222.184 4751.19   523.409  4991.45   245.390  112.631 6.3663 116.480 2.8742 -3.849045      6.985023  
1 1 1 3  16 4  o 89.153  1.7406 2917.06   113.741 2892.22   225.971  2925.49   131.632  88.584  3.4803 89.261  2.0120 -0.6767883     4.020010  
1 1 1 3  16 5  o 36.070  0.7333 476.943   19.387  487.582   40.186   473.716   22.133   36.455  1.5039 35.947  0.8400 0.5086823      1.722647  
1 1 1 3  16 6  o 61.041  1.2022 1366.46   53.786  1386.07   89.256   1355.28   67.397   61.440  1.9820 60.778  1.5129 0.6621475      2.493428  
1 1 1 3  16 7  o 88.191  1.7246 2854.56   111.478 2852.81   182.012  2855.62   141.023  88.055  2.8201 88.168  2.1822 -0.1129608     3.565817  
1 1 1 3  16 8  o 95.329  1.8625 3336.30   130.136 3378.51   215.310  3312.01   163.349  95.787  3.0667 94.933  2.3476 0.8544388      3.862119  
1 1 1 3  16 9  o 54.506  1.0818 1089.43   43.219  1084.19   70.411   1092.59   54.746   54.347  1.7676 54.575  1.3686 -0.2275391     2.235505  
1 1 1 3  16 10 o 20.479  0.5860 153.727   8.7955  150.748   12.195   156.956   12.697   20.278  0.8205 20.691  0.8372 -0.4131413     1.172269  
1 1 1 3  16 11 o 76.933  2.4752 2176.61   139.572 0.0000    0.0000   2176.61   139.572  ?       ?      76.933  2.4752 0.000000       2.475162  
1 1 1 3  16 12 o 83.246  1.6363 2543.85   99.841  2548.02   163.076  2541.35   126.274  83.201  2.6741 83.165  2.0715 0.3678131E-01  3.382614  
1 1 1 3  16 13 o 47.834  0.9646 839.047   33.821  852.772   48.489   826.042   47.197   48.209  1.3722 47.448  1.3571 0.7609215      1.929986  
1 1 1 3  16 14 o 87.578  1.7233 2816.98   110.623 2935.71   162.796  2715.13   150.783  89.299  2.4872 85.893  2.3950 3.406242       3.452906  
1 1 1 3  16 15 o 65.795  1.3040 1588.82   62.886  1610.28   89.976   1568.33   87.927   66.188  1.8547 65.322  1.8365 0.8658905      2.610071  
1 1 1 3  16 16 o 57.129  1.1468 1197.68   48.019  1136.27   64.581   1273.61   71.812   55.611  1.5844 58.868  1.6643 -3.257378      2.297868  
1 1 1 3  16 17 o 49.206  0.9975 888.412   35.975  879.633   50.415   897.519   51.351   48.933  1.4056 49.427  1.4174 -0.4939919     1.996218  
1 1 1 3  16 18 o 56.350  1.8623 1169.89   76.920  1183.14   135.211  1163.55   93.529   56.262  3.2932 56.125  2.2736 0.1370049      4.001787  
1 1 1 3  16 19 o 53.732  1.0902 1060.50   42.936  1037.15   59.152   1086.51   62.422   53.079  1.5204 54.320  1.5678 -1.240604      2.183967  
1 1 1 3  16 20 o 33.678  0.7315 416.195   18.056  429.503   26.208   404.171   24.912   34.190  1.0458 33.168  1.0247 1.021870       1.464173  
1 1 1 3  16 21 o 9.0488  0.6602 30.203    4.3488  25.632    6.1163   34.876    6.1844   8.2880  1.0290 9.7054  0.8789 -1.417430      1.353241  
1 1 1 3  16 22 o 19.532  0.5591 139.943   8.0037  135.085   11.104   145.195   11.547   19.181  0.7898 19.886  0.7922 -0.7047462     1.118661  
1 1 1 3  16 23 o 34.467  0.8095 436.310   20.450  438.765   27.087   433.057   31.187   34.537  1.0700 34.289  1.2409 0.2473869      1.638531  
1 1 1 3  16 24 o 42.538  1.0389 665.683   32.391  703.591   47.874   633.682   43.986   43.644  1.4966 41.429  1.4485 2.214661       2.082793  
1 1 1 3  16 25 o 34.418  0.7625 435.164   19.236  442.266   27.498   428.359   26.919   34.656  1.0825 34.108  1.0768 0.5483971      1.526857  
1 1 1 3  16 26 o 16.482  0.5800 99.726    7.0068  90.428    9.5065   110.784   10.368   15.659  0.8313 17.357  0.8149 -1.698384      1.164085  
1 1 1 3  16 27 o 21.934  0.6067 176.694   9.7530  196.363   14.559   160.683   13.136   23.097  0.8600 20.894  0.8578 2.203302       1.214641  
1 1 1 3  16 28 o 33.623  0.7533 415.783   18.566  427.354   26.750   405.029   25.788   34.026  1.0726 33.127  1.0621 0.8983612      1.509462  
1 1 1 3  17 0  o 27.322  0.8179 274.350   16.346  329.935   37.664   261.451   18.144   29.843  1.7353 26.658  0.9311 0.000000       0.000000  
1 1 1 3  17 1  o 72.176  1.4130 1911.13   74.752  1898.12   105.016  1924.49   106.428  71.893  1.9929 72.389  2.0059 -0.4967651     2.827580  
1 1 1 3  17 2  f 47.672  0.9470 833.263   33.089  821.653   53.585   840.417   42.067   47.320  1.5450 47.869  1.1989 -0.5492363     1.955598  
1 1 1 3  17 3  o 180.294 4.0756 12017.43  538.588 12921.39  1416.32  11864.61  582.336  182.125 10.656 178.999 4.4386 3.126053       11.54374  
1 1 1 3  17 4  o 155.002 3.0234 8847.81   343.485 8964.78   568.221  8780.45   431.183  155.375 4.9895 154.189 3.8153 1.185654       6.281034  
1 1 1 3  17 5  o 87.485  1.7124 2809.34   109.803 2615.09   205.197  2887.27   129.979  84.222  3.3240 88.665  2.0001 -4.442375      3.879345  
1 1 1 3  17 6  o 90.862  1.7754 3030.82   118.240 3039.23   193.819  3025.83   149.225  90.856  2.9105 90.740  2.2437 0.1154938      3.674909  
1 1 1 3  17 7  o 101.778 1.9868 3804.64   148.215 3759.45   239.358  3832.74   188.756  100.990 3.2336 102.085 2.5226 -1.094910      4.101218  
1 1 1 3  17 8  o 50.889  1.0156 949.623   37.880  958.104   62.602   944.724   47.578   51.089  1.6718 50.748  1.2791 0.3410721      2.104974  
1 1 1 3  17 9  o 106.084 2.0756 4135.06   161.385 4177.21   266.082  4110.53   202.983  106.387 3.4123 105.687 2.6204 0.7001419      4.302333  
1 1 1 3  17 10 o 79.775  1.5666 2336.01   91.602  2485.30   158.788  2261.54   112.144  82.166  2.6366 78.459  1.9501 3.706497       3.279403  
1 1 1 3  17 11 o 77.106  2.1539 2185.71   121.728 2038.55   227.911  2244.45   143.986  74.019  4.2183 78.090  2.5156 -4.070862      4.911474  
1 1 1 3  17 12 o 54.934  1.0966 1106.92   44.155  1106.54   72.221   1107.15   55.799   54.883  1.7953 54.925  1.3861 -0.4180908E-01 2.268124  
1 1 1 3  17 13 o 102.830 2.0186 3888.62   152.143 3972.81   253.551  3841.25   190.187  103.627 3.3382 102.099 2.5414 1.528435       4.195524  
1 1 1 3  17 14 o 37.851  0.7877 525.373   21.853  540.467   31.669   511.653   30.194   38.378  1.1258 37.342  1.1031 1.036114       1.576208  
1 1 1 3  17 15 o 96.030  1.8861 3393.31   132.757 3455.39   190.983  3335.27   184.671  96.702  2.6945 95.018  2.6516 1.683250       3.780394  
1 1 1 3  17 16 o 30.179  0.6618 333.977   14.638  356.461   21.777   315.446   19.770   31.168  0.9533 29.321  0.9199 1.846619       1.324751  
1 1 1 3  17 17 o 27.603  0.6632 279.437   13.417  282.761   18.008   275.290   20.116   27.758  0.8851 27.384  1.0022 0.3743820      1.337114  
1 1 1 3  17 18 o 27.588  0.7317 279.251   14.795  270.115   20.374   289.444   21.519   27.118  1.0250 28.071  1.0459 -0.9522057     1.464448  
1 1 1 3  17 19 o 37.160  0.7885 506.859   21.477  484.109   29.119   534.000   31.805   36.290  1.0947 38.110  1.1386 -1.819427      1.579523  
1 1 1 3  17 20 o 41.537  1.1104 634.613   33.806  602.877   51.193   659.154   45.017   40.381  1.7296 42.278  1.4527 -1.897335      2.258769  
1 1 1 3  17 21 o 18.584  0.5450 126.696   7.4238  120.004   10.178   134.303   10.852   18.079  0.7681 19.125  0.7741 -1.046432      1.090553  
1 1 1 3  17 22 o 16.285  0.5456 97.296    6.5125  93.530    8.9907   101.454   9.4462   15.959  0.7686 16.621  0.7754 -0.6620159     1.091787  
1 1 1 3  17 23 o 45.279  1.0856 754.650   36.028  735.741   49.464   776.017   52.581   44.616  1.5126 45.807  1.5661 -1.190952      2.177276  
1 1 1 3  17 24 o 38.807  0.8328 553.534   23.688  550.513   33.200   556.667   33.808   38.645  1.1721 38.858  1.1870 -0.2125206     1.668164  
1 1 1 3  17 25 f 25.394  0.7500 237.022   13.959  212.411   18.294   271.326   21.598   24.008  1.0396 27.127  1.0863 -3.118931      1.503578  
1 1 1 3  17 26 o 8.9083  0.7331 29.375    4.7441  28.060    6.6218   30.761    6.8001   8.6561  1.0662 9.0732  1.0414 -0.4171343     1.490424  
1 1 1 3  17 27 o 22.146  0.6102 180.186   9.9055  187.311   14.175   173.386   13.848   22.552  0.8576 21.696  0.8708 0.8560810      1.222173  
1 1 1 3  18 0  o 49.475  1.3892 899.675   50.288  869.379   97.073   910.788   58.791   48.419  2.7557 49.754  1.6160 0.000000       0.000000  
1 1 1 3  18 1  f 69.943  1.3702 1794.81   70.242  1812.10   100.310  1778.17   98.391   70.239  1.9484 69.580  1.9293 0.6591644      2.741973  
1 1 1 3  18 2  o 101.009 1.9705 3747.76   145.887 3681.53   234.244  3789.74   186.464  99.925  3.1982 101.501 2.5064 -1.576012      4.063319  
1 1 1 3  18 3  o 66.182  1.5000 1607.38   72.765  1572.31   175.218  1614.68   79.989   65.134  3.6853 66.323  1.6454 -1.189552      4.035986  
1 1 1 3  18 4  o 40.743  0.8236 608.611   24.596  570.580   38.448   634.958   32.001   39.436  1.3301 41.610  1.0493 -2.173828      1.694151  
1 1 1 3  18 5  f 63.780  1.2539 1492.25   58.619  1509.33   119.089  1486.79   67.343   64.046  2.5369 63.653  1.4434 0.3938332      2.918754  
1 1 1 3  18 6  o 121.696 2.3753 5447.43   211.870 5574.71   433.740  5407.55   242.809  122.410 4.8343 121.178 2.7338 1.232185       5.553693  
1 1 1 3  18 7  o 61.904  1.2216 1405.84   55.430  1399.65   90.422   1409.57   70.158   61.716  1.9989 61.968  1.5447 -0.2520065     2.526202  
1 1 1 3  18 8  o 135.239 2.6459 6735.73   262.279 6825.46   434.158  6684.17   329.123  135.566 4.3693 134.527 3.3379 1.039871       5.498401  
1 1 1 3  18 9  o 33.651  0.7031 415.160   17.343  392.291   27.284   430.663   22.464   32.702  1.1383 34.270  0.8943 -1.568317      1.447612  
1 1 1 3  18 10 o 37.696  0.8246 521.062   22.782  515.512   34.761   525.241   30.164   37.481  1.2653 37.840  1.0876 -0.3583603     1.668488  
1 1 1 3  18 11 o 39.139  1.1380 562.045   32.645  577.998   47.284   547.514   45.126   39.667  1.6263 38.608  1.5946 1.058426       2.277674  
1 1 1 3  18 12 o 71.406  1.6290 1873.76   85.259  1841.68   145.987  1890.36   105.031  70.600  2.8212 71.672  1.9993 -1.072632      3.457800  
1 1 1 3  18 13 o 5.3798  0.7765 10.834    2.9732  6.1673    4.5419   14.333    3.9329   4.1471  1.3240 6.1872  0.8931 -2.040063      1.597068  
1 1 1 3  18 14 o 64.538  1.2830 1529.80   60.692  1477.34   96.020   1564.70   78.323   63.311  2.0692 65.225  1.6383 -1.914242      2.639240  
1 1 1 3  18 15 o 45.225  0.9198 750.593   30.489  725.729   41.718   779.099   44.669   44.441  1.2807 46.042  1.3237 -1.600910      1.841833  
1 1 1 3  18 16 o 40.048  0.8283 588.565   24.312  583.439   34.063   593.889   34.713   39.846  1.1663 40.200  1.1781 -0.3541451     1.657751  
1 1 1 3  18 17 o 24.563  1.2012 221.891   21.626  197.428   28.774   253.652   32.786   23.066  1.7142 26.160  1.7195 -3.093628      2.427975  
1 1 1 3  18 18 o 12.392  0.5250 56.321    4.7686  55.825    6.6654   56.841    6.8250   12.311  0.7422 12.422  0.7532 -0.1110106     1.057407  
1 1 1 3  18 19 o 67.122  1.5543 1663.94   76.466  1623.94   105.731  1707.81   110.718  66.062  2.1836 67.725  2.2304 -1.662369      3.121366  
1 1 1 3  18 20 o 19.067  0.5420 133.374   7.5750  127.436   10.423   140.023   11.028   18.629  0.7633 19.527  0.7706 -0.8979740     1.084629  
1 1 1 3  18 21 o 33.304  0.7277 407.271   17.762  414.324   25.411   400.532   24.838   33.557  1.0331 32.995  1.0270 0.5625153      1.456767  
1 1 1 3  18 22 o 16.911  0.5400 104.927   6.6928  109.321   9.5998   100.772   9.3359   17.252  0.7592 16.563  0.7690 0.6887512      1.080637  
1 1 1 3  18 23 o 26.788  0.8799 263.900   17.277  265.979   24.235   261.750   24.636   26.849  1.2315 26.630  1.2622 0.2188587      1.763453  
1 1 1 3  18 24 o 16.180  0.5673 96.112    6.7277  101.216   9.6698   91.323    9.3663   16.590  0.7952 15.736  0.8148 0.8537750      1.138566  
1 1 1 3  18 25 o 21.939  0.7117 176.966   11.444  167.312   15.669   188.007   16.756   21.297  1.0038 22.575  1.0126 -1.277472      1.425818  
1 1 1 3  18 26 o 40.010  0.8586 589.761   25.180  597.544   35.893   582.219   35.334   40.166  1.2192 39.648  1.2159 0.5172958      1.721856  
1 1 1 3  19 0  o 118.450 3.2829 5173.73   284.525 5277.82   579.603  5140.69   326.582  118.488 6.7234 117.950 3.7864 0.000000       0.000000  
1 1 1 3  19 1  o 84.561  1.6519 2625.74   102.385 2608.20   166.201  2636.47   129.977  84.139  2.6950 84.682  2.0941 -0.5430450     3.412920  
1 1 1 3  19 2  o 29.277  0.6046 314.202   12.973  301.347   20.722   322.488   16.637   28.665  0.9863 29.658  0.7654 -0.9926548     1.248417  
1 1 1 3  19 3  o 60.157  2.3885 1331.85   105.314 1228.28   137.794  1477.32   163.307  57.572  3.2790 63.101  3.5453 -5.528393      4.829166  
1 1 1 3  19 4  o 66.009  1.8392 1600.89   88.986  1596.03   102.556  1615.69   179.007  65.881  2.1238 65.955  3.7181 -0.7355499E-01 4.281899  
1 1 1 3  19 5  o 99.590  2.7660 3656.27   201.904 3769.57   240.062  3382.39   373.235  101.010 3.2425 94.869  5.3898 6.141495       6.289980  
1 1 1 3  19 6  o 33.921  1.0014 422.009   24.897  438.163   36.669   408.194   33.911   34.549  1.4481 33.348  1.3873 1.200188       2.005385  
1 1 1 3  19 7  o 71.429  1.6215 1873.98   84.894  1878.38   147.890  1871.81   103.678  71.352  2.8278 71.349  1.9825 0.3005981E-02  3.453552  
1 1 1 3  19 8  o 106.268 2.0791 4154.92   161.943 4014.58   256.052  4248.49   209.070  104.130 3.3548 107.324 2.6577 -3.193947      4.280023  
1 1 1 3  19 9  o 62.884  1.2408 1451.45   57.192  1444.29   93.203   1455.77   72.432   62.648  2.0297 62.948  1.5699 -0.3004990     2.566006  
1 1 1 3  19 10 o 66.121  1.5042 1606.34   72.901  1599.98   126.001  1609.54   89.379   65.822  2.6117 66.145  1.8436 -0.3230362     3.196835  
1 1 1 3  19 11 f 27.189  0.5955 271.047   11.868  260.623   18.998   277.718   15.199   26.652  0.9725 27.518  0.7535 -0.8666744     1.230280  
1 1 1 3  19 12 o 18.912  0.5891 131.141   8.1653  152.181   12.728   116.425   10.645   20.367  0.8526 17.815  0.8152 2.551960       1.179574  
1 1 1 3  19 13 o 18.373  0.7484 123.832   10.079  110.236   13.801   139.370   14.754   17.292  1.0946 19.456  1.0383 -2.164309      1.508701  
1 1 1 3  19 14 o 12.701  0.4715 59.142    4.3892  57.529    6.9805   60.196    5.6447   12.498  0.7657 12.812  0.6011 -0.3131819     0.9734527 
1 1 1 3  19 15 o 35.667  0.7504 466.817   19.617  450.849   31.247   477.205   25.203   35.013  1.2176 36.047  0.9539 -1.033073      1.546754  
1 1 1 3  19 16 o 27.709  0.6260 281.690   12.714  269.108   17.291   296.500   18.759   27.070  0.8715 28.412  0.9008 -1.342299      1.253369  
1 1 1 3  19 17 o 26.880  0.8341 265.355   16.433  277.500   23.719   254.146   22.788   27.459  1.1785 26.277  1.1832 1.181261       1.669997  
1 1 1 3  19 18 o 9.7115  0.5617 34.718    3.9811  39.314    5.7467   30.477    5.5203   10.318  0.7653 9.0695  0.8400 1.249015       1.136308  
1 1 1 3  19 19 o 62.020  1.5836 1422.76   71.989  1402.81   112.659  1436.53   93.589   61.157  2.5133 62.123  2.0554 -0.9667244     3.246709  
1 1 1 3  19 20 o 12.751  0.5344 59.657    4.9946  55.003    6.7894   65.146    7.3734   12.213  0.7623 13.296  0.7598 -1.082698      1.076227  
1 1 1 3  19 21 o 19.168  0.5476 134.830   7.6934  132.652   10.717   137.146   11.051   19.001  0.7695 19.320  0.7804 -0.3185024     1.095982  
1 1 1 3  19 22 o 33.649  0.7391 416.061   18.228  425.253   26.110   407.323   25.459   33.974  1.0486 33.250  1.0446 0.7232399      1.480105  
1 1 1 3  19 23 o 8.3878  0.8391 26.146    5.0894  28.226    7.0442   23.873    7.3614   8.6711  1.1356 7.9292  1.3125 0.7419400      1.735634  
1 1 1 3  19 24 o 8.4170  0.7706 26.286    4.7013  16.752    6.4080   37.398    6.9184   6.5995  1.3696 10.026  0.9529 -3.426532      1.668477  
1 1 1 3  19 25 o 20.755  0.6877 158.450   10.462  151.991   14.398   165.673   15.226   20.292  0.9680 21.184  0.9807 -0.8916550     1.377965  
1 1 1 3  20 0  o 18.334  0.8656 124.045   11.572  0.0000    0.0000   124.045   11.572   18.334  0.8656 18.334  0.8656 0.000000       0.000000  
1 1 1 3  20 1  o 17.489  0.4391 112.108   5.6291  104.511   8.4303   118.221   7.5619   16.884  0.6812 17.958  0.5745 -1.074327      0.8911473 
1 1 1 3  20 2  o 46.983  1.3226 810.302   45.545  803.963   52.292   830.223   92.703   46.787  1.5249 47.363  2.6814 -0.5764771     3.084642  
1 1 1 3  20 3  o 73.965  2.9203 2021.30   158.322 2134.39   236.103  1928.89   213.415  75.542  4.2818 71.873  4.0678 3.668587       5.905990  
1 1 1 3  20 4  f 53.807  1.5122 1063.45   59.637  1039.22   67.434   1150.44   127.770  53.172  1.7303 55.669  3.1442 -2.497246      3.588853  
1 1 1 3  20 5  o 44.016  1.2525 711.178   40.409  705.358   46.434   729.339   82.028   43.823  1.4456 44.392  2.5315 -0.5682907     2.915198  
1 1 1 3  20 6  o 62.558  1.7519 1439.13   80.329  1398.94   110.806  1483.64   116.620  61.577  2.4551 63.404  2.5094 -1.827049      3.510639  
1 1 1 3  20 7  o 26.008  0.8171 248.092   15.577  254.825   22.912   242.305   21.240   26.347  1.1865 25.693  1.1279 0.6532421      1.636991  
1 1 1 3  20 8  o 52.389  1.4854 1008.72   57.037  1022.12   82.033   996.181   79.357   52.658  2.1254 51.991  2.0825 0.6664238      2.975591  
1 1 1 3  20 9  o 16.264  0.4643 96.969    5.5347  107.904   12.829   94.468    6.1350   17.116  1.0274 16.052  0.5214 1.063562       1.152117  
1 1 1 3  20 10 o 40.111  0.9360 590.443   27.519  577.380   46.948   597.280   33.966   39.612  1.6170 40.329  1.1491 -0.7173576     1.983696  
1 1 1 3  20 11 o 53.125  1.0588 1036.42   41.229  1013.61   66.173   1050.89   52.710   52.451  1.7213 53.462  1.3451 -1.011158      2.184543  
1 1 1 3  20 12 o 29.198  0.6282 312.698   13.445  306.949   21.871   316.189   17.046   28.908  1.0322 29.354  0.7923 -0.4453163     1.301204  
1 1 1 3  20 13 o 30.588  0.8469 343.496   18.988  339.672   30.276   345.975   24.379   30.376  1.3598 30.681  1.0841 -0.3056316     1.739050  
1 1 1 3  20 14 o 50.321  1.0123 930.714   37.337  913.704   60.124   941.392   47.635   49.739  1.6492 50.564  1.2853 -0.8244553     2.090882  
1 1 1 3  20 15 f 11.478  0.4766 48.317    4.0093  47.263    6.3181   49.029    5.1877   11.320  0.7660 11.543  0.6154 -0.2231731     0.9825552 
1 1 1 3  20 16 o 19.928  0.5180 145.685   7.5664  139.624   12.169   149.505   9.6611   19.493  0.8517 20.182  0.6531 -0.6888542     1.073273  
1 1 1 3  20 17 o 38.634  1.0254 549.212   29.037  536.248   44.694   558.681   38.196   38.064  1.6020 38.910  1.3393 -0.8455620     2.088066  
1 1 1 3  20 18 o 27.249  0.6210 272.551   12.403  285.674   18.070   260.859   17.056   27.875  0.8844 26.638  0.8736 1.237135       1.243118  
1 1 1 3  20 19 o 20.899  0.6394 160.362   9.7945  172.697   14.384   149.697   13.375   21.669  0.9056 20.174  0.9045 1.494373       1.279948  
1 1 1 3  20 20 o 26.244  0.6618 252.935   12.730  243.502   16.228   268.026   20.526   25.732  0.8604 26.975  1.0382 -1.243296      1.348381  
1 1 1 3  20 21 o 10.099  0.5911 37.574    4.3566  42.344    6.1598   32.799    6.1624   10.702  0.7909 9.3968  0.9059 1.305463       1.202584  
1 1 1 3  20 22 o 27.936  0.6533 286.804   13.377  284.853   18.710   288.845   19.134   27.804  0.9181 27.996  0.9325 -0.1917477     1.308594  
1 1 1 3  20 23 o 18.902  0.5635 131.245   7.8066  129.208   10.769   133.501   11.333   18.734  0.7843 19.039  0.8121 -0.3055038     1.129000  
1 1 1 3  20 24 o 12.443  0.6019 56.913    5.4892  58.672    7.7496   55.142    7.7763   12.588  0.8448 12.197  0.8757 0.3909435      1.216770  
1 1 1 3  21 0  o 36.907  1.0542 500.771   28.464  450.151   51.416   523.140   34.180   34.824  2.0301 37.702  1.2399 0.000000       0.000000  
1 1 1 3  21 1  o 48.502  1.3643 864.253   48.502  902.994   58.336   777.506   87.292   49.554  1.6061 45.781  2.6122 3.772526       3.066490  
1 1 1 3  21 2  o 65.117  1.8150 1560.84   86.627  1578.81   101.214  1511.63   167.500  65.441  2.1101 63.574  3.6095 1.866600       4.181068  
1 1 1 3  21 3  o 14.323  0.6816 75.234    7.1559  67.913    8.8667   88.911    12.119   13.576  0.8961 15.527  1.0714 -1.950956      1.396760  
1 1 1 3  21 4  o 27.994  0.9798 287.602   20.105  287.602   20.105   0.0000    0.0000   27.994  0.9798 ?       ?      0.000000       0.9798393 
1 1 1 3  21 5  f 64.738  1.8114 1543.38   85.954  1521.02   97.979   1618.07   179.071  64.218  2.0816 65.673  3.7356 -1.455322      4.276382  
1 1 1 3  21 6  o 65.089  1.8232 1560.79   86.979  1570.67   101.187  1532.82   170.221  65.235  2.1162 63.904  3.6493 1.330849       4.218484  
1 1 1 3  21 7  o 34.380  1.0128 433.941   25.522  433.870   36.487   434.009   35.711   34.346  1.4494 34.354  1.4182 -0.8102417E-02 2.027821  
1 1 1 3  21 8  o 54.509  1.5418 1093.79   61.599  1089.51   87.183   1098.06   87.046   54.278  2.1914 54.493  2.1794 -0.2150459     3.090638  
1 1 1 3  21 9  o 39.701  1.1581 579.280   33.700  566.678   47.110   592.486   48.226   39.212  1.6391 40.095  1.6410 -0.8826981     2.319433  
1 1 1 3  21 10 o 10.812  0.5931 43.008    4.6823  37.908    6.5714   48.267    6.6732   10.121  0.8950 11.440  0.8009 -1.318168      1.201074  
1 1 1 3  21 11 o 15.651  0.4372 89.817    5.0151  85.499    8.4477   92.166    6.2321   15.262  0.7552 15.852  0.5364 -0.5899334     0.9262612 
1 1 1 3  21 12 o 37.728  0.7753 522.623   21.440  512.898   34.730   528.612   27.253   37.317  1.2697 37.923  0.9805 -0.6054115     1.604228  
1 1 1 3  21 13 o 39.976  0.8198 586.979   24.020  567.626   38.316   599.509   30.830   39.239  1.3323 40.372  1.0419 -1.133396      1.691276  
1 1 1 3  21 14 o 8.0579  0.6785 24.006    3.9703  33.254    9.3018   21.945    4.3903   9.3917  1.3935 7.6890  0.7903 1.702732       1.602026  
1 1 1 3  21 15 o 19.393  0.5024 137.977   7.1409  146.626   12.238   133.512   8.7928   19.974  0.8360 19.071  0.6290 0.9022732      1.046182  
1 1 1 3  21 16 o 23.659  0.5667 205.427   9.8271  211.557   16.441   202.020   12.258   23.981  0.9354 23.453  0.7131 0.5283394      1.176171  
1 1 1 3  21 17 o 27.354  0.6222 274.712   12.475  268.361   20.086   278.701   15.917   26.997  1.0151 27.538  0.7886 -0.5408878     1.285408  
1 1 1 3  21 18 o 28.166  0.6387 291.320   13.186  276.577   20.751   301.306   17.078   27.400  1.0332 28.627  0.8139 -1.226913      1.315298  
1 1 1 3  21 19 o 12.714  0.5275 59.331    4.9159  65.722    6.9515   52.938    6.9528   13.355  0.7128 11.972  0.7969 1.382258       1.069125  
1 1 1 3  21 20 o 24.243  0.7760 216.169   13.789  226.686   23.053   210.310   17.206   24.718  1.2768 23.887  0.9827 0.8317299      1.611200  
1 1 1 3  21 21 o 11.143  0.5671 45.729    4.6162  46.514    6.3710   44.861    6.6979   11.215  0.7799 11.005  0.8366 0.2097282      1.143786  
1 1 1 3  21 22 f 41.344  1.2202 634.116   36.976  658.836   53.527   611.552   51.140   41.879  1.7438 40.357  1.7289 1.522423       2.455540  
1 1 1 3  21 23 o 19.680  0.5716 142.346   8.2454  150.117   11.758   134.826   11.566   20.182  0.7948 19.123  0.8252 1.059607       1.145733  
1 1 1 3  22 0  o 22.830  1.3900 193.488   23.063  0.0000    0.0000   193.488   23.063   22.830  1.3900 22.830  1.3900 0.000000       0.000000  
1 1 1 3  22 1  o 34.308  0.9817 432.174   24.686  439.251   28.977   413.442   47.139   34.576  1.1434 33.411  1.9332 1.164803       2.245975  
1 1 1 3  22 2  o 47.905  1.3492 844.098   47.376  833.082   54.103   880.314   98.099   47.564  1.5519 48.566  2.7673 -1.002403      3.172706  
1 1 1 3  22 3  o 36.503  1.0489 489.436   28.064  487.058   32.364   496.646   56.347   36.400  1.2130 36.586  2.1102 -0.1852989     2.434028  
1 1 1 3  22 4  o 39.494  1.6087 574.847   46.568  574.847   46.568   0.0000    0.0000   39.494  1.6087 ?       ?      0.000000       1.608694  
1 1 1 3  22 5  f 23.489  0.7474 202.460   12.868  201.464   15.048   205.168   24.819   23.426  0.8764 23.561  1.4441 -0.1354332     1.689265  
1 1 1 3  22 6  o 25.695  1.5766 244.341   29.549  0.0000    0.0000   244.341   29.549   ?       ?      25.695  1.5766 0.000000       1.576597  
1 1 1 3  22 7  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  22 8  o 22.221  1.1432 182.126   18.556  162.288   25.044   206.275   27.631   20.897  1.6484 23.582  1.6082 -2.684828      2.302936  
1 1 1 3  22 9  o 69.260  2.2734 1787.35   115.410 1726.24   136.758  1938.54   215.115  67.807  2.7517 70.667  4.1716 -2.859619      4.997413  
1 1 1 3  22 10 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  22 11 o 37.443  1.1117 516.170   30.511  515.117   43.414   517.198   42.890   37.316  1.5873 37.397  1.5647 -0.8019257E-01 2.228859  
1 1 1 3  22 12 o 27.956  0.6051 286.858   12.399  288.310   20.777   286.055   15.452   27.988  1.0128 27.905  0.7555 0.8333588E-01  1.263557  
1 1 1 3  22 13 o 21.356  0.5119 167.342   8.0128  170.107   13.502   165.839   9.9553   21.509  0.8565 21.253  0.6391 0.2561703      1.068608  
1 1 1 3  22 14 o 39.812  0.8774 582.951   25.604  562.740   38.203   599.433   34.499   39.025  1.3356 40.316  1.1675 -1.291214      1.773933  
1 1 1 3  22 15 o 10.982  0.5544 44.382    4.4484  40.073    6.2457   48.818    6.3373   10.407  0.8256 11.501  0.7560 -1.093799      1.119408  
1 1 1 3  22 16 o 36.745  0.8829 496.826   23.778  470.383   39.459   511.902   29.794   35.615  1.5116 37.259  1.0910 -1.643410      1.864180  
1 1 1 3  22 17 o 43.788  0.9012 705.797   28.923  700.541   47.088   708.981   36.651   43.463  1.4781 43.828  1.1409 -0.3656120     1.867235  
1 1 1 3  22 18 o 24.485  0.5860 220.165   10.517  220.670   17.273   219.867   13.258   24.469  0.9631 24.453  0.7397 0.1641464E-01  1.214382  
1 1 1 3  22 19 o 44.735  0.9264 737.815   30.374  716.219   48.508   751.743   38.956   43.858  1.5090 45.071  1.1792 -1.212902      1.915093  
1 1 1 3  22 20 o 19.255  0.6450 136.339   9.1029  123.046   12.032   154.129   13.920   18.263  0.8989 20.435  0.9294 -2.172331      1.292939  
1 1 1 3  22 21 o 16.462  0.6599 99.717    7.9623  96.186    11.091   103.471   11.438   16.108  0.9435 16.710  0.9376 -0.6020432     1.330196  
1 1 1 3  22 22 o 6.6974  1.0264 16.976    4.8780  16.604    6.4302   17.481    7.4868   6.5522  1.3824 6.6994  1.5547 -0.1471996     2.080381  
1 1 1 3  23 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  23 1  o 37.431  1.0699 515.290   29.352  489.805   32.190   641.035   71.503   36.477  1.2040 41.404  2.3660 -4.926704      2.654695  
1 1 1 3  23 2  o 44.579  1.2598 731.922   41.165  741.217   48.166   706.739   79.281   44.822  1.4661 43.423  2.5016 1.399052       2.899548  
1 1 1 3  23 3  o 42.129  1.1978 653.463   36.986  665.132   43.501   623.022   70.263   42.468  1.3975 40.801  2.3596 1.666924       2.742382  
1 1 1 3  23 4  o 4.7771  1.4965 8.3395    5.8261  8.3395    5.8261   0.0000    0.0000   4.7771  1.4965 ?       ?      0.000000       1.496452  
1 1 1 3  23 5  o 40.378  1.1591 600.357   34.305  600.208   39.751   600.792   67.903   40.340  1.3444 40.043  2.3236 0.2970810      2.684475  
1 1 1 3  23 6  o 12.780  0.6112 59.942    5.7252  58.435    7.0280   62.915    9.8713   12.590  0.7652 13.035  1.0419 -0.4443617     1.292721  
1 1 1 3  23 7  o 33.910  1.0035 423.083   24.942  435.077   29.724   394.536   45.856   34.362  1.1802 32.519  1.9326 1.843102       2.264457  
1 1 1 3  23 8  o 10.999  0.6774 44.583    5.4340  48.819    8.5948   41.762    7.0136   11.471  1.0333 10.618  0.9099 0.8523903      1.376882  
1 1 1 3  23 9  o 28.726  0.8926 303.484   18.795  307.863   27.302   299.539   25.912   28.878  1.2899 28.492  1.2408 0.3853416      1.789786  
1 1 1 3  23 10 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  23 11 o 17.738  0.7177 115.596   9.3308  126.014   14.365   107.993   12.272   18.462  1.0662 17.098  0.9834 1.363848       1.450435  
1 1 1 3  23 12 o 35.096  1.0618 453.980   27.313  455.129   39.157   452.891   38.118   35.035  1.5248 34.958  1.4876 0.7642746E-01  2.130313  
1 1 1 3  23 13 o 20.753  0.4977 158.043   7.5701  144.426   12.153   166.676   9.6767   19.815  0.8368 21.304  0.6197 -1.489565      1.041272  
1 1 1 3  23 14 o 15.827  0.4540 91.911    5.2668  96.140    9.2301   89.870    6.4133   16.169  0.7788 15.646  0.5592 0.5233097      0.9588109 
1 1 1 3  23 15 o 34.846  0.7856 446.603   20.066  449.550   31.140   444.510   26.240   34.872  1.2183 34.719  1.0311 0.1534386      1.596108  
1 1 1 3  23 16 o 35.304  1.1850 460.913   30.663  448.698   51.294   467.705   38.250   34.475  2.0390 35.477  1.4710 -1.001625      2.514180  
1 1 1 3  23 17 o 29.858  0.6584 327.734   14.409  337.022   24.402   322.762   17.854   30.195  1.1026 29.605  0.8228 0.5893326      1.375744  
1 1 1 3  23 18 o 48.387  0.9902 865.139   35.120  844.600   56.404   878.143   44.881   47.484  1.6206 48.627  1.2592 -1.142792      2.052343  
1 1 1 3  23 19 o 7.4649  0.6664 20.669    3.6079  17.306    5.3524   23.470    4.8845   6.7447  1.1221 7.9304  0.8538 -1.185689      1.409986  
1 1 1 3  23 20 o 28.824  0.6640 305.863   14.029  284.872   22.025   320.192   18.197   27.712  1.0843 29.450  0.8430 -1.737938      1.373492  
1 1 1 3  23 21 o 31.215  0.8215 359.604   18.796  370.650   27.148   349.435   26.048   31.577  1.1730 30.665  1.1589 0.9118977      1.648903  
1 1 1 3  24 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  24 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  24 2  o 38.616  1.0980 549.447   31.079  553.020   36.150   539.326   60.844   38.706  1.2742 37.895  2.2000 0.8108902      2.542406  
1 1 1 3  24 3  o 7.3561  0.5750 19.982    3.0758  21.605    3.9139   17.361    4.9738   7.6369  0.7072 6.7903  1.0318 0.8465056      1.250943  
1 1 1 3  24 4  o 16.702  0.8280 102.558   10.136  104.514   15.360   101.049   13.491   16.779  1.2581 16.519  1.1209 0.2598667      1.685013  
1 1 1 3  24 5  o 24.477  0.7629 220.201   13.687  220.648   16.025   218.993   26.313   24.489  0.8928 24.269  1.4864 0.2202072      1.733911  
1 1 1 3  24 6  o 10.739  0.6247 42.493    4.8957  47.553    6.4006   35.358    7.6000   11.347  0.7742 9.7340  1.0836 1.613384       1.331756  
1 1 1 3  24 7  o 21.155  0.7122 164.445   11.043  168.278   13.287   155.882   19.860   21.388  0.8476 20.487  1.3298 0.9011173      1.576923  
1 1 1 3  24 8  o 36.347  1.0730 487.149   28.586  487.598   40.903   486.720   39.966   36.245  1.5397 36.223  1.5053 0.2259064E-01  2.153260  
1 1 1 3  24 9  o 8.6650  0.7909 27.838    4.9677  30.675    8.0246   26.076    6.3255   9.0275  1.2460 8.3440  1.0580 0.6834517      1.634598  
1 1 1 3  24 10 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  24 11 o 28.219  0.8983 293.233   18.580  285.602   26.240   300.908   26.313   27.779  1.2887 28.521  1.2588 -0.7410240     1.801446  
1 1 1 3  24 12 o 13.691  0.7397 69.124    7.3952  62.940    10.833   74.521    10.120   13.002  1.1485 14.184  0.9794 -1.182108      1.509425  
1 1 1 3  24 13 o 26.578  0.8798 260.177   17.139  240.957   23.295   282.858   25.306   25.514  1.2457 27.643  1.2490 -2.128765      1.764002  
1 1 1 3  24 14 o 6.8207  0.5964 17.222    2.9515  18.254    3.8736   15.794    4.5576   7.0016  0.7674 6.4690  0.9929 0.5325985      1.254907  
1 1 1 3  24 15 o 10.028  0.4372 36.909    3.2135  34.548    5.5326   38.110    3.9477   9.6546  0.7887 10.173  0.5313 -0.5181513     0.9509792 
1 1 1 3  24 16 o 21.852  0.6459 175.653   10.345  158.609   19.855   182.005   12.120   20.603  1.3218 22.230  0.7439 -1.627253      1.516709  
1 1 1 3  24 17 o 10.222  0.5474 38.515    4.0865  36.534    6.1171   40.111    5.4919   9.9131  0.8501 10.410  0.7243 -0.4966850     1.116818  
1 1 1 3  24 18 o 13.762  0.4912 69.588    4.9547  70.687    8.2636   68.971    6.1910   13.814  0.8198 13.690  0.6170 0.1235819      1.026058  
1 1 1 3  24 19 o 26.840  0.6271 265.199   12.337  267.406   20.483   263.942   15.455   26.846  1.0410 26.742  0.7885 0.1045208      1.305899  
1 1 1 3  25 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  25 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  25 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  25 3  o 19.883  0.6333 145.223   9.2294  145.652   10.805   144.066   17.749   19.903  0.7407 19.700  1.2355 0.2035294      1.440472  
1 1 1 3  25 4  o 26.968  0.8096 267.576   16.003  270.975   18.815   258.685   30.431   27.119  0.9466 26.324  1.5846 0.7946472      1.845746  
1 1 1 3  25 5  o 50.818  1.6785 962.747   62.520  962.747   62.520   0.0000    0.0000   50.818  1.6785 ?       ?      0.000000       1.678508  
1 1 1 3  25 6  o 48.869  1.3955 885.944   49.986  900.447   58.738   847.863   95.180   49.159  1.6302 46.902  2.7811 2.257202       3.223626  
1 1 1 3  25 7  o 59.032  1.6827 1300.39   72.809  1344.96   86.879   1195.22   133.447  59.829  1.9812 55.108  3.3193 4.720985       3.865587  
1 1 1 3  25 8  o 11.524  0.6621 48.967    5.5693  51.722    7.2200   44.920    8.7513   11.823  0.8386 10.973  1.1030 0.8499050      1.385587  
1 1 1 3  25 9  o 30.869  0.9426 351.336   21.327  348.125   30.388   354.452   29.938   30.630  1.3536 30.916  1.3212 -0.2861233     1.891487  
1 1 1 3  25 10 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  25 11 o 15.557  0.7218 89.039    8.2301  93.953    12.506   85.285    10.931   15.907  1.0790 15.168  0.9886 0.7386570      1.463398  
1 1 1 3  25 12 o 7.6516  1.0035 21.989    5.4924  19.687    8.6795   23.526    7.0932   7.1104  1.6902 7.8651  1.2740 -0.7546759     2.116590  
1 1 1 3  25 13 o 24.136  0.8395 214.803   14.851  203.892   20.742   226.279   21.272   23.408  1.2131 24.701  1.1749 -1.292896      1.688826  
1 1 1 3  25 14 o 10.015  0.8937 37.335    6.4909  52.069    10.472   28.143    8.2714   11.770  1.2322 8.5855  1.3597 3.184633       1.834949  
1 1 1 3  25 15 o 10.589  0.9060 41.758    6.9641  43.582    10.551   40.349    9.2705   10.713  1.3754 10.334  1.2493 0.3788691      1.858100  
1 1 1 3  25 16 o 23.271  0.6170 199.349   10.524  182.439   17.742   208.529   13.072   22.156  1.0925 23.775  0.7501 -1.618881      1.325259  
1 1 1 3  25 17 o 19.689  0.5121 142.537   7.3907  141.675   12.424   143.010   9.1945   19.570  0.8661 19.704  0.6366 -0.1341705     1.074947  
1 1 1 3  26 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  26 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  26 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  26 3  o 12.311  0.4797 55.643    4.3283  52.888    4.9523   64.555    8.9070   11.999  0.5631 13.198  0.9266 -1.199298      1.084298  
1 1 1 3  26 4  f 42.486  1.2160 668.872   37.866  690.434   45.097   617.335   69.721   43.075  1.4284 40.135  2.3807 2.940765       2.776328  
1 1 1 3  26 5  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  26 6  f 28.450  0.8613 298.323   17.961  294.095   20.670   311.356   36.290   28.220  0.9993 28.769  1.7290 -0.5494537     1.997058  
1 1 1 3  26 7  o 13.002  0.6225 62.145    5.9327  60.764    7.2464   64.953    10.332   12.823  0.7747 13.209  1.0765 -0.3864498     1.326262  
1 1 1 3  26 8  o 18.260  0.6760 122.665   9.0481  125.571   11.006   116.606   15.893   18.459  0.8135 17.683  1.2339 0.7760468      1.477922  
1 1 1 3  26 9  o 3.9730  1.2596 5.7743    4.1164  8.7460    5.7829   2.7220    5.8608   4.8349  1.4870 3.6708  1.4581 1.164109       2.082623  
1 1 1 3  26 10 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  26 11 o 34.583  1.0529 443.396   26.689  413.101   36.020   480.274   39.742   33.195  1.4805 35.772  1.5157 -2.577854      2.118780  
1 1 1 3  26 12 o 10.141  0.8078 38.207    5.9551  41.327    9.6235   36.271    7.5809   10.448  1.2837 9.8287  1.0696 0.6188784      1.670899  
1 1 1 3  26 13 o 18.587  0.7741 127.547   10.546  112.715   14.721   143.186   15.116   17.355  1.1640 19.604  1.0559 -2.248781      1.571509  
1 1 1 3  26 14 o 24.424  0.8551 220.724   15.307  216.020   21.911   225.207   21.393   24.002  1.2498 24.562  1.1883 -0.5598087     1.724580  
1 1 1 3  26 15 f 3.3484  1.3984 0.9881    5.7262  -1.9034   9.1679   2.8377    7.3324   3.8306  1.6855 3.9881  1.6147 -0.1574976     2.334172  
1 1 1 3  26 16 o 16.692  0.9830 103.794   11.974  100.861   14.330   110.581   21.797   16.388  1.2013 16.927  1.7837 -0.5390472     2.150516  
1 1 1 3  27 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  27 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  27 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  27 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  27 4  o 18.298  0.5977 123.133   8.0162  127.355   9.5964   113.384   14.582   18.596  0.7041 17.440  1.1471 1.155931       1.345933  
1 1 1 3  27 5  o 12.587  0.5410 58.239    4.9916  58.333    5.9810   58.023    9.0613   12.573  0.6513 12.481  0.9989 0.9154797E-01  1.192432  
1 1 1 3  27 6  o 10.533  0.5979 40.947    4.5970  41.500    5.7144   39.932    7.7388   10.585  0.7412 10.330  1.0361 0.2553577      1.273915  
1 1 1 3  27 7  o 15.757  0.6260 91.397    7.2295  90.033    8.6676   94.515    13.105   15.623  0.7569 15.906  1.1315 -0.2824697     1.361353  
1 1 1 3  27 8  o 18.938  0.6856 132.190   9.5174  134.694   11.557   126.914   16.777   19.092  0.8259 18.395  1.2518 0.6973896      1.499665  
1 1 1 3  27 9  o 7.3169  0.8803 20.092    4.6263  13.180    5.9750   30.440    7.3104   5.8095  1.4161 8.9714  1.1373 -3.161875      1.816216  
1 1 1 3  27 10 o 12.166  0.9466 55.224    8.3742  66.533    15.138   50.237    10.053   13.159  1.6026 11.535  1.2069 1.623685       2.006227  
1 1 1 3  27 11 o 6.0779  1.1547 14.230    4.9561  11.982    8.1930   15.527    6.2239   5.6120  1.7768 6.3065  1.3844 -0.6945167     2.252501  
1 1 1 3  27 12 f 27.680  0.9077 284.285   18.415  291.914   27.278   277.897   24.961   27.850  1.3363 27.217  1.2512 0.6328087      1.830658  
1 1 1 3  27 13 o 26.388  0.8845 258.199   17.107  250.964   24.340   265.261   24.048   25.849  1.2847 26.600  1.2334 -0.7514019     1.780966  
1 1 1 3  28 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  28 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  28 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  28 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  28 4  o 12.858  0.9134 61.618    8.5517  61.618    8.5517   0.0000    0.0000   12.858  0.9134 ?       ?      0.000000       0.9133632 
1 1 1 3  28 5  o 11.354  0.5073 47.427    4.2218  52.263    5.2951   38.989    6.9943   11.894  0.6095 10.205  0.9459 1.688993       1.125224  
1 1 1 3  28 6  o 7.6875  0.9960 22.336    5.4802  22.336    5.4802   0.0000    0.0000   7.6875  0.9960 ?       ?      0.000000       0.9960036 
1 1 1 3  28 7  o 10.533  0.7259 41.185    5.5700  46.230    8.2472   36.953    7.5529   11.095  1.0258 9.9012  1.0571 1.193501       1.472972  
1 1 1 3  28 8  o 17.636  0.6612 114.798   8.5472  114.419   10.240   115.669   15.521   17.579  0.7947 17.515  1.2165 0.6331062E-01  1.453105  
1 1 1 3  28 9  o 9.1193  0.7445 30.959    4.9330  28.411    6.4634   34.516    7.6347   8.6682  1.0379 9.5457  1.1120 -0.8774595     1.521166  
1 1 1 3  28 10 o 21.935  1.0589 179.624   17.025  184.146   25.944   176.206   22.562   21.885  1.6291 21.516  1.4389 0.3686714      2.173558  
1 1 1 3  29 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  29 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  29 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  29 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  29 4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 3  29 5  o 11.027  0.5643 44.944    4.5457  44.944    4.5457   0.0000    0.0000   11.027  0.5643 ?       ?      0.000000       0.5642956 
1 1 1 3  29 6  o 21.355  0.6848 168.578   10.719  169.926   12.616   165.081   20.325   21.405  0.8041 20.843  1.3374 0.5620918      1.560556  
1 1 1 4  0  0  o 355.275 14.034 46714.61  3641.56 42593.59  4677.64  53054.82  5801.99  337.720 19.035 376.508 21.178 0.000000       0.000000  
1 1 1 4  0  1  o 101.226 2.7982 3765.44   207.252 3629.97   282.633  3923.02   304.821  99.254  3.8987 103.180 4.0447 0.000000       0.000000  
1 1 1 4  0  2  o 53.486  1.5049 1051.03   58.892  1110.08   87.196   1001.51   79.859   54.900  2.1747 52.143  2.0972 0.000000       0.000000  
1 1 1 4  0  3  f 53.039  2.1111 1036.16   81.776  1036.16   81.776   0.0000    0.0000   53.039  2.1111 53.039  2.1111 0.000000       0.000000  
1 1 1 4  0  4  f 13.146  0.7396 63.932    7.0743  70.620    10.009   57.254    10.001   13.772  1.0037 12.347  1.1266 0.000000       0.000000  
1 1 1 4  0  5  o 243.105 9.5538 21878.09  1696.38 22617.31  2477.53  21225.64  2327.58  245.865 13.849 238.260 13.426 0.000000       0.000000  
1 1 1 4  0  6  o 185.287 5.1183 12626.42  693.904 13009.99  1010.07  12283.61  954.907  187.737 7.3662 182.432 7.1664 0.000000       0.000000  
1 1 1 4  0  7  o 177.922 4.9474 11638.51  644.055 12789.38  990.830  10796.46  847.529  186.206 7.2851 171.095 6.7825 0.000000       0.000000  
1 1 1 4  0  8  o 366.087 10.160 49375.84  2721.43 50740.68  3934.96  48124.50  3767.83  370.111 14.556 360.464 14.312 0.000000       0.000000  
1 1 1 4  0  9  o 493.768 13.748 90018.81  4966.72 92610.31  7220.57  87691.46  6842.65  498.867 19.818 485.570 19.295 0.000000       0.000000  
1 1 1 4  0  10 o 230.712 6.3917 19574.95  1078.97 19498.68  1513.11  19653.86  1539.02  229.866 9.0123 230.762 9.1316 0.000000       0.000000  
1 1 1 4  0  11 f 56.015  1.5918 1152.77   65.234  1127.75   90.178   1180.23   94.482   55.334  2.2317 56.606  2.2857 0.000000       0.000000  
1 1 1 4  0  12 o 166.047 4.6217 10135.77  561.498 9768.79   763.564  10567.89  828.569  162.765 6.4231 169.277 6.7019 0.000000       0.000000  
1 1 1 4  0  13 o 343.272 11.023 43562.50  2766.89 41386.12  3211.63  49828.88  5449.62  333.932 13.168 363.467 20.607 0.000000       0.000000  
1 1 1 4  0  14 o 225.641 8.9576 18840.29  1476.15 22257.74  2435.58  16856.11  1855.85  243.879 13.725 212.512 12.002 0.000000       0.000000  
1 1 1 4  0  15 o 133.107 3.6959 6515.55   359.948 6316.06   493.965  6741.40   525.592  130.829 5.1696 135.156 5.3244 0.000000       0.000000  
1 1 1 4  0  16 o 74.230  2.0826 2025.05   113.107 1973.84   155.586  2082.45   164.718  73.182  2.9110 75.165  3.0007 0.000000       0.000000  
1 1 1 4  0  17 o 73.163  2.0763 1967.51   111.139 2075.91   165.693  1878.85   149.849  75.036  3.0238 71.390  2.8743 0.000000       0.000000  
1 1 1 4  0  18 o 30.949  0.9671 352.109   21.890  347.135   30.137   357.664   31.847   30.685  1.3459 31.141  1.4017 0.000000       0.000000  
1 1 1 4  0  19 o 315.561 8.8686 37030.94  2047.58 33653.00  2622.14  42309.35  3277.80  298.961 12.010 334.297 13.427 0.000000       0.000000  
1 1 1 4  0  20 o 36.513  1.2714 490.489   33.932  475.758   40.310   526.312   62.860   35.925  1.5373 37.672  2.2961 0.000000       0.000000  
1 1 1 4  0  21 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  0  22 o 93.830  2.6544 3238.99   182.226 3302.29   265.627  3182.70   250.454  94.547  3.8475 92.841  3.6938 0.000000       0.000000  
1 1 1 4  0  23 o 75.823  2.1431 2114.51   118.886 1992.97   158.980  2268.69   179.067  73.482  2.9627 78.394  3.1277 0.000000       0.000000  
1 1 1 4  0  24 o 78.894  2.5628 2293.23   147.841 2311.61   182.385  2258.00   252.458  79.102  3.1571 77.862  4.4571 0.000000       0.000000  
1 1 1 4  0  25 o 70.908  2.0168 1850.50   104.625 2013.29   159.554  1727.70   138.577  73.795  2.9607 68.374  2.7756 0.000000       0.000000  
1 1 1 4  0  26 o 4.0401  1.7931 8.6332    5.6087  13.023    7.9476   4.2778    7.9164   4.9963  2.1309 3.2510  1.9243 0.000000       0.000000  
1 1 1 4  0  27 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  0  28 o 56.994  1.6547 1196.47   68.992  1308.18   105.053  1111.75   91.486   59.438  2.4205 54.803  2.2866 0.000000       0.000000  
1 1 1 4  0  29 o 5.7045  1.7416 14.856    6.3615  23.313    9.0588   6.6273    8.9355   7.2922  1.9612 3.7200  2.1123 0.000000       0.000000  
1 1 1 4  0  30 o 15.265  0.8200 86.203    9.1139  78.944    12.355   94.868    13.499   14.524  1.1784 15.950  1.1691 0.000000       0.000000  
1 1 1 4  0  31 o 17.739  0.8322 116.192   10.766  118.161   15.012   114.108   15.448   17.827  1.1601 17.502  1.2177 0.000000       0.000000  
1 1 1 4  0  32 o 5.1793  2.8074 14.118    14.952  0.0000    0.0000   14.118    14.952   5.1793  2.8074 5.1793  2.8074 0.000000       0.000000  
1 1 1 4  0  33 o 29.743  0.9992 325.940   21.728  326.906   30.553   324.953   30.906   29.708  1.4104 29.614  1.4315 0.000000       0.000000  
1 1 1 4  1  0  o 160.389 5.1398 9470.34   602.831 10169.38  789.055  8490.28   934.292  166.006 6.5076 151.201 8.4917 0.000000       0.000000  
1 1 1 4  1  1  o 225.126 4.7365 18621.22  781.562 18754.50  1044.34  18451.55  1178.35  225.707 6.3127 223.728 7.1857 1.979477       9.564776  
1 1 1 4  1  2  o 247.986 4.8880 22603.86  888.456 23690.12  1319.18  21702.14  1201.92  253.462 7.1008 242.665 6.7575 10.79709       9.802350  
1 1 1 4  1  3  o 86.386  2.1429 2736.51   135.682 2749.36   175.880  2717.64   213.238  86.572  2.7718 86.050  3.3809 0.5216293      4.371871  
1 1 1 4  1  4  o 104.352 4.1047 3999.53   313.949 4677.28   512.989  3593.67   396.973  112.515 6.2449 98.677  5.5106 13.83791       8.328641  
1 1 1 4  1  5  o 167.401 4.6198 10295.83  566.837 10996.76  854.605  9745.24   757.421  172.758 6.7491 162.681 6.3521 10.07770       9.268223  
1 1 1 4  1  6  o 286.530 5.5950 30176.65  1175.04 31687.55  1745.08  28923.42  1589.32  293.138 8.1220 280.140 7.7403 12.99753       11.21955  
1 1 1 4  1  7  o 248.534 4.8451 22674.79  882.616 21847.71  1205.74  23629.61  1295.51  243.769 6.7483 253.487 6.9727 -9.718491      9.703524  
1 1 1 4  1  8  o 456.533 8.9258 76733.11  2986.78 73239.65  4021.68  81029.88  4460.15  445.099 12.327 467.944 13.004 -22.84497      17.91831  
1 1 1 4  1  9  o 286.778 5.6184 30192.23  1180.97 31473.07  1727.72  29068.97  1617.96  292.530 8.0579 281.160 7.8511 11.36911       11.25037  
1 1 1 4  1  10 o 296.492 5.8406 32280.64  1269.26 28935.12  1591.94  38118.29  2102.87  280.497 7.7432 321.762 8.9166 -41.26523      11.80939  
1 1 1 4  1  11 o 294.632 5.7573 31881.11  1243.30 32097.41  1766.10  31668.59  1750.60  295.315 8.1592 293.338 8.1421 1.976685       11.52680  
1 1 1 4  1  12 o 218.666 4.2648 17546.79  683.527 17418.56  961.150  17678.01  972.251  217.720 6.0230 219.333 6.0478 -1.613068      8.535332  
1 1 1 4  1  13 o 71.875  1.6509 1893.71   86.972  1876.51   122.558  1911.17   123.440  71.538  2.3373 72.196  2.3327 -0.6576691     3.302238  
1 1 1 4  1  14 o 34.739  1.4615 442.378   37.213  429.862   51.168   456.430   54.217   34.178  2.0521 35.218  2.1101 -1.040009      2.943378  
1 1 1 4  1  15 o 89.263  1.8964 2921.83   124.073 3549.03   226.825  2654.04   148.212  98.325  3.1474 85.059  2.3773 13.26620       3.944279  
1 1 1 4  1  16 o 134.994 2.6564 6688.98   262.834 6752.63   376.872  6628.71   366.742  135.525 3.7940 134.283 3.7261 1.241791       5.317732  
1 1 1 4  1  17 o 83.430  1.7550 2552.96   107.318 2551.11   141.935  2555.44   163.984  83.374  2.3226 83.425  2.6818 -0.5116272E-01 3.547742  
1 1 1 4  1  18 o 143.359 3.2831 7556.04   344.974 8418.16   545.174  6980.31   445.512  151.013 4.9254 137.610 4.4170 13.40321       6.615830  
1 1 1 4  1  19 o 202.016 3.9641 15030.61  586.958 15182.31  842.055  14887.25  818.611  202.509 5.6730 200.569 5.5684 1.940552       7.949264  
1 1 1 4  1  20 o 12.101  0.5694 53.672    5.0504  58.552    7.3173   49.232    6.9793   12.614  0.7955 11.559  0.8293 1.054173       1.149161  
1 1 1 4  1  21 o 39.961  1.3798 585.636   40.414  563.635   47.831   640.544   75.563   39.197  1.6648 41.686  2.4844 -2.488899      2.990633  
1 1 1 4  1  22 o 37.472  0.8061 514.727   22.141  560.592   33.864   480.482   29.262   39.100  1.1816 36.200  1.1029 2.899986       1.616346  
1 1 1 4  1  23 o 100.380 1.9811 3700.34   145.758 3540.01   197.136  3893.68   216.484  98.088  2.7420 102.851 2.8717 -4.763565      3.970540  
1 1 1 4  1  24 o 83.729  1.6758 2574.05   102.845 2656.20   148.762  2498.83   142.341  84.972  2.3885 82.421  2.3562 2.551430       3.355117  
1 1 1 4  1  25 o 27.660  0.6482 280.501   13.141  279.005   18.427   282.049   18.746   27.581  0.9115 27.731  0.9223 -0.1497879     1.296701  
1 1 1 4  1  26 o 22.308  0.5882 182.459   9.6175  193.223   14.032   172.922   13.208   22.952  0.8341 21.713  0.8299 1.239086       1.176650  
1 1 1 4  1  27 o 70.191  2.0162 1817.08   103.726 1736.11   139.186  1918.21   155.558  68.416  2.7756 71.858  2.9535 -3.441895      4.053042  
1 1 1 4  1  28 f 60.453  1.2357 1343.15   54.754  1263.00   73.136   1445.36   82.591   58.546  1.7043 62.611  1.7997 -4.064651      2.478649  
1 1 1 4  1  29 o 36.996  0.8022 502.276   21.752  527.552   32.065   480.730   29.606   37.888  1.1546 36.171  1.1167 1.717167       1.606304  
1 1 1 4  1  30 o 49.930  1.0342 915.916   37.847  905.490   52.957   926.801   54.110   49.585  1.4571 50.163  1.4717 -0.5776405     2.070986  
1 1 1 4  1  31 o 32.195  0.7318 380.447   17.269  375.134   24.096   386.058   24.762   31.946  1.0291 32.406  1.0425 -0.4605217     1.464864  
1 1 1 4  1  32 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  1  33 o 17.242  0.7901 109.226   9.9847  99.022    12.347   128.507   16.972   16.370  1.0344 18.626  1.2505 -2.255726      1.622843  
1 1 1 4  2  0  o 268.102 7.4408 26492.78  1459.62 28485.22  2217.52  24969.65  1938.86  277.129 10.956 259.591 10.226 0.000000       0.000000  
1 1 1 4  2  1  o 177.367 3.4583 11546.38  449.585 11509.72  633.455  11583.59  638.190  176.954 4.8840 177.519 4.9048 -0.5647430     6.921746  
1 1 1 4  2  2  o 48.721  1.0383 870.032   37.080  990.286   55.000   769.833   50.205   51.975  1.4437 45.826  1.4947 6.149429       2.078092  
1 1 1 4  2  3  o 272.085 6.1439 27268.32  1225.27 28971.57  1833.37  25893.50  1647.15  279.665 8.9440 264.529 8.4953 15.13583       12.33550  
1 1 1 4  2  4  o 201.117 5.6292 14883.39  829.801 14321.96  924.046  17222.16  1886.00  197.172 6.3939 214.482 12.046 -17.30972      13.63750  
1 1 1 4  2  5  o 163.169 3.7169 9772.19   444.523 11713.98  911.913  9166.97   509.106  178.302 6.9778 157.987 4.3965 20.31458       8.247327  
1 1 1 4  2  6  o 90.156  1.7805 2979.60   117.656 2906.08   162.477  3060.66   170.602  89.025  2.4900 91.361  2.5477 -2.335732      3.562406  
1 1 1 4  2  7  o 166.603 3.2433 10179.41  396.054 10047.13  553.258  10318.44  567.214  165.461 4.5620 167.677 4.6152 -2.216507      6.489352  
1 1 1 4  2  8  o 164.932 3.2339 9975.03   390.939 9544.17   526.830  10503.01  583.199  161.288 4.4564 169.185 4.7030 -7.897247      6.479038  
1 1 1 4  2  9  o 49.371  0.9960 893.338   36.042  839.331   48.142   962.213   54.366   47.854  1.3725 51.237  1.4476 -3.383129      1.994883  
1 1 1 4  2  10 o 58.692  1.1659 1262.53   50.153  1300.79   72.925   1228.19   69.086   59.572  1.6701 57.886  1.6283 1.686073       2.332545  
1 1 1 4  2  11 o 441.442 8.6363 71767.81  2794.37 75670.45  4163.59  68569.14  3769.42  452.052 12.566 430.532 11.945 21.51996       17.33754  
1 1 1 4  2  12 o 60.368  1.2917 1335.73   57.154  1311.11   86.342   1354.94   76.250   59.804  1.9698 60.797  1.7111 -0.9935265     2.609173  
1 1 1 4  2  13 o 247.945 5.6193 22600.96  1021.22 22519.71  1441.67  22682.80  1446.78  247.108 7.9597 248.002 7.9592 -0.8933411     11.25636  
1 1 1 4  2  14 o 257.312 6.3451 24394.63  1196.68 24371.63  1891.20  24409.98  1545.40  256.154 10.073 256.932 8.2062 -0.7784729     12.99251  
1 1 1 4  2  15 o 200.724 3.9282 14805.93  577.931 14873.47  824.788  14740.78  810.046  200.899 5.6012 200.015 5.5254 0.8832855      7.867927  
1 1 1 4  2  16 o 95.647  1.8852 3355.46   132.166 3503.52   195.279  3230.31   179.533  97.691  2.7272 93.812  2.6110 3.879684       3.775581  
1 1 1 4  2  17 o 57.697  1.1656 1220.42   49.291  1180.81   67.808   1264.81   71.776   56.743  1.6304 58.725  1.6675 -1.982544      2.332137  
1 1 1 4  2  18 o 92.937  2.1315 3169.75   145.199 3363.71   186.771  2873.45   230.844  95.702  2.6626 88.379  3.5636 7.323288       4.448478  
1 1 1 4  2  19 o 183.020 3.8438 12333.50  515.630 12270.94  784.436  12381.11  684.216  181.984 5.8809 183.047 5.0998 -1.062836      7.784130  
1 1 1 4  2  20 f 44.047  0.9152 711.216   29.547  768.027   44.643   666.933   39.415   45.765  1.3309 42.648  1.2609 3.116901       1.833315  
1 1 1 4  2  21 o 30.267  0.9700 335.857   21.518  346.685   31.147   325.970   29.763   30.746  1.3821 29.813  1.3620 0.9323978      1.940471  
1 1 1 4  2  22 o 42.098  0.8868 649.707   27.364  632.071   37.519   669.752   39.999   41.516  1.2330 42.735  1.2770 -1.218594      1.775069  
1 1 1 4  2  23 o 63.269  1.2706 1468.29   58.921  1377.38   78.350   1586.63   89.390   61.255  1.7451 65.736  1.8553 -4.481323      2.547019  
1 1 1 4  2  24 o 82.074  1.6376 2473.21   98.515  2422.62   137.172  2527.10   141.574  81.156  2.3060 82.885  2.3304 -1.728302      3.278477  
1 1 1 4  2  25 f 60.874  1.2372 1360.00   55.203  1330.65   76.487   1391.91   79.754   60.172  1.7343 61.538  1.7682 -1.366215      2.476734  
1 1 1 4  2  26 f 84.155  1.7909 2606.24   110.469 2511.28   140.692  2758.91   178.387  82.490  2.3270 86.320  2.8195 -3.830391      3.655720  
1 1 1 4  2  27 o 77.782  2.2293 2234.94   127.097 2262.54   149.161  2161.77   242.827  78.148  2.6041 75.518  4.4061 2.630470       5.118103  
1 1 1 4  2  28 o 16.963  0.6169 105.527   7.6702  122.274   10.904   89.123    10.792   18.254  0.8149 15.552  0.9513 2.702411       1.252644  
1 1 1 4  2  29 o 79.444  1.8475 2329.54   107.580 2150.35   140.769  2581.16   166.804  76.093  2.5240 83.273  2.7329 -7.179848      3.720099  
1 1 1 4  2  30 o 38.069  0.8270 531.979   23.075  544.249   33.319   520.670   31.988   38.473  1.1816 37.633  1.1597 0.8403702      1.655571  
1 1 1 4  2  31 o 31.785  0.8427 371.014   19.632  320.921   24.533   460.222   32.738   29.537  1.1332 35.355  1.2634 -5.818193      1.697111  
1 1 1 4  2  32 o 16.647  0.7541 101.776   9.2015  103.979   14.252   100.201   12.049   16.762  1.1673 16.475  1.0026 0.2875214      1.538787  
1 1 1 4  2  33 o 30.762  0.8370 347.770   18.872  383.708   28.816   320.777   24.973   32.261  1.2186 29.506  1.1547 2.754938       1.678823  
1 1 1 4  3  0  f 95.363  2.6473 3342.02   184.713 3517.22   273.852  3195.79   250.195  97.693  3.8379 93.123  3.6786 0.000000       0.000000  
1 1 1 4  3  1  o 56.711  1.1185 1178.85   46.495  1179.11   65.786   1178.60   65.721   56.713  1.5826 56.700  1.5814 0.1244736E-01  2.237278  
1 1 1 4  3  2  o 244.306 5.5631 21964.36  996.168 24081.28  1529.73  20405.64  1312.64  255.196 8.1782 235.052 7.6191 20.14375       11.17738  
1 1 1 4  3  3  o 91.402  2.0612 3063.39   138.088 3183.04   202.592  2959.57   188.718  93.143  2.9675 89.817  2.8667 3.325615       4.125995  
1 1 1 4  3  4  o 227.561 6.3581 19067.80  1060.48 20826.79  1328.34  15976.17  1761.05  237.580 7.6281 206.835 11.664 30.74532       13.93679  
1 1 1 4  3  5  o 54.562  1.3793 1091.21   55.162  1223.32   96.203   1026.49   67.330   57.761  2.2723 52.916  1.7360 4.844963       2.859558  
1 1 1 4  3  6  o 53.176  1.1378 1036.41   44.348  1027.45   58.269   1048.74   68.371   52.944  1.5015 53.488  1.7439 -0.5440788     2.301305  
1 1 1 4  3  7  f 333.548 6.4872 40876.75  1585.98 40567.83  2226.00  41195.23  2260.22  331.866 9.1513 334.410 9.2213 -2.543365      12.99144  
1 1 1 4  3  8  o 292.045 5.7133 31314.13  1222.97 30979.67  1709.48  31664.75  1750.33  290.223 8.0362 293.401 8.1391 -3.177856      11.43794  
1 1 1 4  3  9  o 153.232 2.9957 8609.38   336.453 8894.20   489.059  8353.45   463.595  155.704 4.2853 150.900 4.1915 4.803986       5.994370  
1 1 1 4  3  10 f 240.470 4.7025 21220.99  828.843 21649.36  1189.49  20816.69  1155.57  242.715 6.6863 238.008 6.6240 4.707306       9.411907  
1 1 1 4  3  11 o 84.329  1.9163 2606.86   118.450 2434.85   156.337  2838.66   181.488  81.491  2.6174 87.986  2.8142 -6.494987      3.843255  
1 1 1 4  3  12 o 147.259 2.8718 7952.59   309.968 7848.72   431.656  8063.19   445.389  146.246 4.0269 148.227 4.0995 -1.981033      5.746483  
1 1 1 4  3  13 o 42.301  1.0043 655.838   31.137  614.278   41.264   710.791   47.450   40.937  1.3753 44.035  1.4701 -3.097977      2.013114  
1 1 1 4  3  14 o 29.409  0.7407 316.981   15.966  333.964   23.483   302.383   21.772   30.185  1.0614 28.722  1.0342 1.462528       1.481931  
1 1 1 4  3  15 o 132.632 3.0024 6457.91   291.879 6959.58   443.213  6073.72   387.861  137.553 4.3960 128.529 4.1171 9.023239       6.022941  
1 1 1 4  3  16 o 190.260 3.7443 13310.66  522.158 14151.61  781.355  12632.03  701.904  195.813 5.4441 185.064 5.1746 10.74852       7.510953  
1 1 1 4  3  17 o 204.668 4.0005 15420.66  600.123 16223.42  889.978  14751.29  812.683  209.411 5.7983 199.762 5.5504 9.648621       8.026657  
1 1 1 4  3  18 o 66.122  1.3296 1603.17   64.439  1633.75   93.054   1575.00   89.323   66.730  1.9025 65.521  1.8599 1.209114       2.660634  
1 1 1 4  3  19 o 120.952 2.5513 5372.70   226.180 5576.56   311.703  5146.00   328.708  123.117 3.4542 118.221 3.7934 4.895439       5.130450  
1 1 1 4  3  20 o 73.124  1.6878 1961.56   90.463  2055.86   134.738  1884.16   122.066  74.821  2.4569 71.636  2.3248 3.184799       3.382471  
1 1 1 4  3  21 o 62.890  1.4590 1450.71   67.253  1399.88   79.719   1576.21   125.257  61.767  1.7609 65.494  2.6093 -3.727390      3.147836  
1 1 1 4  3  22 o 107.174 2.4328 4220.60   191.109 4108.54   263.702  4344.56   277.351  105.608 3.4067 108.586 3.4848 -2.978149      4.873319  
1 1 1 4  3  23 o 27.163  0.6395 270.460   12.732  260.391   17.533   281.694   18.520   26.649  0.8976 27.718  0.9116 -1.068516      1.279346  
1 1 1 4  3  24 o 174.629 4.4105 11333.46  564.525 11760.05  751.632  10781.42  855.047  176.995 5.7938 168.620 6.9183 8.374863       9.023928  
1 1 1 4  3  25 o 36.468  0.9078 487.797   24.266  475.306   33.608   501.401   35.074   35.984  1.2742 36.958  1.2948 -0.9736176     1.816639  
1 1 1 4  3  26 o 65.030  1.3168 1553.45   62.763  1538.33   88.816   1568.53   88.703   64.634  1.8748 65.269  1.8542 -0.6347046     2.636805  
1 1 1 4  3  27 o 39.440  0.9118 570.857   26.357  590.691   35.978   547.882   38.723   40.097  1.2242 38.605  1.3685 1.492313       1.836147  
1 1 1 4  3  28 o 39.639  0.9132 576.760   26.532  655.365   39.078   509.536   36.139   42.223  1.2627 37.224  1.3245 4.998543       1.830000  
1 1 1 4  3  29 o 24.539  0.6231 220.857   11.207  214.504   15.527   227.765   16.192   24.173  0.8764 24.909  0.8869 -0.7355194     1.246822  
1 1 1 4  3  30 o 11.031  0.6550 44.795    5.2723  49.576    7.7106   40.598    7.2253   11.583  0.9157 10.471  0.9519 1.112350       1.320792  
1 1 1 4  3  31 o 25.422  0.6420 237.146   11.963  228.966   16.502   246.207   17.367   24.965  0.9018 25.886  0.9153 -0.9218388     1.284967  
1 1 1 4  3  32 o 30.916  0.7224 350.969   16.369  361.109   23.726   341.759   22.613   31.327  1.0333 30.479  1.0122 0.8484020      1.446458  
1 1 1 4  3  33 o 22.857  0.6216 191.762   10.414  204.167   15.273   180.984   14.236   23.566  0.8842 22.188  0.8754 1.377544       1.244257  
1 1 1 4  4  0  o 77.901  2.1676 2229.88   123.553 2191.22   171.780  2271.31   177.838  77.121  3.0498 78.517  3.1011 0.000000       0.000000  
1 1 1 4  4  1  o 287.098 5.6220 30331.31  1183.05 29729.22  1643.09  30979.46  1704.78  283.668 7.9026 289.532 8.0333 -5.864410      11.26873  
1 1 1 4  4  2  o 161.303 3.4005 9549.17   402.034 10215.46  665.116  9165.58   504.663  166.647 5.4453 157.957 4.3590 8.690536       6.975051  
1 1 1 4  4  3  o 128.687 2.9240 6074.99   275.797 5633.62   359.687  6704.74   429.640  123.873 3.9616 135.113 4.3384 -11.23986      5.874972  
1 1 1 4  4  4  o 183.577 5.0558 12381.57  680.276 12255.17  951.497  12513.75  972.974  182.413 7.1166 184.316 7.2021 -1.903366      10.12498  
1 1 1 4  4  5  o 154.855 4.2587 8800.94   483.376 8765.62   680.648  8836.89   686.584  154.432 6.0132 155.057 6.0412 -0.6244507     8.523749  
1 1 1 4  4  6  o 161.111 3.6293 9520.77   428.576 9590.00   611.185  9453.80   601.137  161.624 5.1592 160.475 5.1108 1.149200       7.262062  
1 1 1 4  4  7  o 411.272 8.0581 62218.13  2429.07 67410.72  3698.36  58278.74  3221.30  427.185 11.812 397.391 11.059 29.79373       16.18106  
1 1 1 4  4  8  o 459.033 8.9624 77574.00  3015.43 73107.46  4016.11  83345.98  4565.44  444.724 12.321 474.572 13.125 -29.84781      18.00180  
1 1 1 4  4  9  o 119.972 2.5303 5276.85   222.498 5115.63   287.772  5516.48   350.838  118.108 3.3242 122.633 3.9032 -4.524605      5.126906  
1 1 1 4  4  10 f 188.685 3.6965 13059.14  511.222 14182.44  778.911  12209.08  677.587  196.533 5.4072 182.370 5.0691 14.16374       7.411717  
1 1 1 4  4  11 o 134.016 2.6339 6585.46   258.727 6275.13   348.245  6967.78   386.532  130.790 3.6327 137.811 3.8267 -7.021927      5.276352  
1 1 1 4  4  12 o 120.306 2.3771 5307.00   209.614 5409.66   302.147  5211.75   291.043  121.431 3.3947 119.191 3.3314 2.239670       4.756336  
1 1 1 4  4  13 o 71.371  2.0160 1867.72   105.464 1652.38   131.092  2262.80   177.565  67.119  2.6647 78.532  3.0848 -11.41356      4.076378  
1 1 1 4  4  14 f 71.527  1.6410 1875.77   86.030  2096.63   134.453  1722.66   111.946  75.602  2.4264 68.534  2.2286 7.068336       3.294509  
1 1 1 4  4  15 o 29.129  0.7476 310.993   15.961  309.152   22.623   312.818   22.521   29.041  1.0628 29.213  1.0518 -0.1717606     1.495314  
1 1 1 4  4  16 o 38.465  0.8027 542.322   22.630  537.784   31.727   547.021   32.288   38.301  1.1302 38.628  1.1404 -0.3274155     1.605545  
1 1 1 4  4  17 o 237.078 5.4056 20776.67  939.327 20903.18  1326.71  20649.51  1330.12  236.785 7.6444 235.308 7.7121 1.476761       10.85876  
1 1 1 4  4  18 f 126.380 2.4755 5864.74   229.307 5627.15   311.038  6147.63   339.394  123.683 3.4310 129.254 3.5824 -5.571770      4.960418  
1 1 1 4  4  19 o 75.513  1.5095 2091.31   83.549  2217.12   124.039  1986.84   113.037  77.719  2.1775 73.576  2.0960 4.142426       3.022377  
1 1 1 4  4  20 o 147.529 4.7825 8041.39   517.143 7114.93   786.825  8745.97   686.165  137.631 7.8321 153.469 6.1000 -15.83769      9.927342  
1 1 1 4  4  21 o 93.316  2.1401 3197.17   146.378 3231.31   207.338  3163.24   206.682  93.728  3.0181 92.733  3.0408 0.9950562      4.284297  
1 1 1 4  4  22 o 51.116  1.2107 958.210   45.358  1107.04   72.980   864.531   57.899   54.919  1.8130 48.539  1.6274 6.379421       2.436289  
1 1 1 4  4  23 f 54.014  1.1795 1070.14   46.696  1180.65   77.946   1008.27   58.320   56.698  1.8756 52.415  1.5180 4.283138       2.412945  
1 1 1 4  4  24 o 114.219 2.2641 4799.97   189.548 4657.12   260.784  4959.95   275.982  112.295 3.1684 115.865 3.2497 -3.570404      4.538666  
1 1 1 4  4  25 o 101.008 2.1469 3757.50   158.942 3840.33   215.898  3659.49   234.853  101.913 2.8903 99.377  3.2243 2.535919       4.330075  
1 1 1 4  4  26 o 48.387  1.1593 859.696   41.116  789.944   53.450   960.798   64.350   46.344  1.5735 51.094  1.7183 -4.749168      2.329917  
1 1 1 4  4  27 o 6.6580  0.9244 16.581    4.3894  7.5656    6.0802   26.394    6.3432   4.6496  1.5355 8.4131  1.0516 -3.763430      1.861099  
1 1 1 4  4  28 o 23.987  0.7148 211.071   12.567  198.744   17.279   224.914   18.311   23.264  1.0134 24.748  1.0094 -1.484497      1.430331  
1 1 1 4  4  29 o 57.574  1.1793 1218.55   49.767  1221.84   71.193   1215.41   69.597   57.559  1.6875 57.414  1.6538 0.1444893      2.362788  
1 1 1 4  4  30 o 25.475  0.6386 238.079   11.924  238.038   16.814   238.119   16.911   25.460  0.9010 25.464  0.9061 -0.4026413E-02 1.277841  
1 1 1 4  4  31 o 39.204  0.8492 564.571   24.402  609.802   36.742   528.878   32.639   40.692  1.2319 37.904  1.1748 2.787754       1.702284  
1 1 1 4  4  32 o 22.755  0.6179 190.047   10.306  188.954   14.666   191.113   14.484   22.672  0.8825 22.803  0.8666 -0.1303883     1.236898  
1 1 1 4  4  33 o 19.341  0.7131 137.372   10.109  121.226   13.537   157.725   15.199   18.120  1.0235 20.703  1.0016 -2.582932      1.432058  
1 1 1 4  5  0  o 18.464  0.5913 125.329   7.9833  129.662   11.620   121.456   10.987   18.752  0.8494 18.148  0.8299 0.000000       0.000000  
1 1 1 4  5  1  o 214.221 4.5154 16855.23  708.983 15212.73  984.487  18624.82  1021.86  203.259 6.6081 224.965 6.1972 -21.70650      9.059412  
1 1 1 4  5  2  o 190.259 4.2930 13290.68  598.663 12703.05  807.049  14009.65  892.688  185.850 5.9246 195.136 6.2414 -9.286316      8.605561  
1 1 1 4  5  3  o 248.773 6.8749 22777.22  1253.58 23025.47  1798.98  22542.90  1747.78  249.574 9.8344 246.983 9.6547 2.590591       13.78145  
1 1 1 4  5  4  o 301.509 8.3061 33492.95  1835.60 33349.86  2584.82  33638.53  2607.18  300.071 11.752 301.353 11.804 -1.281982      16.65660  
1 1 1 4  5  5  o 263.869 5.9975 25577.23  1159.94 23632.29  1517.89  28307.28  1798.35  253.382 8.1730 277.210 8.8508 -23.82742      12.04725  
1 1 1 4  5  6  o 104.120 2.3448 3974.26   178.946 4173.90   325.175  3887.53   214.317  106.666 4.1592 102.970 2.8397 3.696335       5.036143  
1 1 1 4  5  7  o 351.397 6.8454 45374.55  1763.11 44595.54  2448.56  46213.38  2540.82  347.916 9.6019 354.134 9.7887 -6.218018      13.71188  
1 1 1 4  5  8  o 528.486 10.353 103015.00 4010.36 100496.20 5553.13  105760.60 5797.79  520.362 14.560 533.696 14.821 -13.33398      20.77633  
1 1 1 4  5  9  o 261.149 5.0920 25035.05  974.677 23964.68  1321.84  26310.49  1442.91  255.309 7.0637 267.476 7.3599 -12.16734      10.20118  
1 1 1 4  5  10 o 145.248 2.8570 7736.15   304.162 8067.79   446.812  7449.75   415.222  148.283 4.1111 142.496 3.9756 5.787262       5.718899  
1 1 1 4  5  11 o 45.182  0.9145 748.183   30.284  722.793   41.545   776.971   44.237   44.407  1.2764 46.041  1.3109 -1.634037      1.829623  
1 1 1 4  5  12 o 97.523  1.9182 3486.89   137.118 3519.45   195.971  3455.65   191.921  97.958  2.7294 97.067  2.6975 0.8910522      3.837511  
1 1 1 4  5  13 o 273.504 6.2149 27561.23  1245.89 28492.47  1827.55  26752.65  1702.94  277.279 8.9923 268.793 8.6437 8.485535       12.47300  
1 1 1 4  5  14 o 28.498  0.6321 297.663   13.203  297.588   18.625   297.737   18.720   28.494  0.8918 28.501  0.8961 -0.7108688E-02 1.264233  
1 1 1 4  5  15 o 165.862 4.6229 10131.93  562.011 10267.09  803.265  10002.32  786.603  166.544 6.5804 164.395 6.5281 2.148529       9.269135  
1 1 1 4  5  16 o 59.996  1.7011 1320.18   74.806  1216.98   97.986   1464.36   115.819  57.583  2.3216 63.158  2.5019 -5.574631      3.413098  
1 1 1 4  5  17 o 19.930  0.5681 145.585   8.2986  140.333   10.667   153.638   13.209   19.567  0.7438 20.473  0.8803 -0.9058247     1.152399  
1 1 1 4  5  18 o 64.765  1.2898 1538.05   61.226  1569.94   88.213   1508.40   85.046   65.415  1.8398 64.121  1.8096 1.293610       2.580597  
1 1 1 4  5  19 o 65.894  1.3237 1592.22   63.931  1650.39   92.513   1539.05   88.449   67.066  1.8820 64.765  1.8633 2.301033       2.648313  
1 1 1 4  5  20 o 16.759  0.7457 102.947   9.1596  107.003   12.967   98.908    12.940   17.052  1.0425 16.389  1.0833 0.6630726      1.503495  
1 1 1 4  5  21 o 87.568  1.7443 2813.86   111.959 2710.13   152.159  2936.31   165.329  85.888  2.4170 89.391  2.5233 -3.502335      3.494177  
1 1 1 4  5  22 o 55.147  1.2911 1115.47   52.188  1145.15   75.478   1088.29   72.240   55.851  1.8438 54.448  1.8101 1.402702       2.583826  
1 1 1 4  5  23 o 68.168  1.3630 1705.05   68.104  1795.79   100.854  1629.00   92.336   69.912  1.9682 66.593  1.8917 3.319328       2.729891  
1 1 1 4  5  24 o 60.940  1.4246 1363.35   63.632  1473.22   83.382   1210.13   98.464   63.316  1.7967 57.330  2.3433 5.986446       2.952797  
1 1 1 4  5  25 o 69.726  1.3974 1785.79   71.414  1806.10   102.379  1766.55   99.664   70.039  1.9943 69.273  1.9629 0.7661133      2.798255  
1 1 1 4  5  26 o 21.587  0.9324 171.014   14.752  184.128   25.847   164.679   17.966   22.315  1.5906 21.144  1.1638 1.171354       1.970918  
1 1 1 4  5  27 o 30.298  0.7026 336.737   15.603  322.782   21.316   352.841   22.900   29.651  0.9808 30.999  1.0079 -1.348293      1.406359  
1 1 1 4  5  28 o 60.257  1.4229 1336.24   62.843  1455.90   96.294   1247.47   82.941   62.745  2.0938 58.116  1.9471 4.629517       2.859261  
1 1 1 4  5  29 o 41.913  0.8877 644.967   27.271  664.544   39.439   627.029   37.752   42.505  1.2659 41.290  1.2474 1.214958       1.777255  
1 1 1 4  5  30 o 24.135  0.6215 213.687   10.995  233.187   16.415   197.820   14.807   25.198  0.8887 23.210  0.8704 1.988392       1.243961  
1 1 1 4  5  31 o 46.727  1.1382 803.735   38.983  741.102   51.447   888.184   59.738   44.782  1.5674 48.999  1.6634 -4.217014      2.285494  
1 1 1 4  5  32 o 21.079  0.6402 163.113   9.8910  170.051   13.502   155.079   14.530   21.509  0.8565 20.532  0.9655 0.9769173      1.290642  
1 1 1 4  6  0  o 33.183  0.9591 404.566   23.283  396.461   32.548   413.060   33.319   32.805  1.3589 33.488  1.3626 0.000000       0.000000  
1 1 1 4  6  1  o 167.720 3.2678 10317.93  401.719 10319.65  569.153  10316.23  567.085  167.662 4.6314 167.636 4.6153 0.2673340E-01  6.538427  
1 1 1 4  6  2  o 283.190 6.3686 29480.06  1321.92 28292.85  1792.05  30897.19  1957.90  277.043 8.8252 289.434 9.2291 -12.39133      12.76950  
1 1 1 4  6  3  o 242.790 5.9683 21655.99  1062.10 21753.16  1377.41  21513.50  1668.04  243.132 7.7293 241.549 9.4215 1.583633       12.18635  
1 1 1 4  6  4  o 301.154 6.3108 33320.52  1393.01 30033.07  1914.25  37021.04  2030.96  285.520 9.1471 317.074 8.7390 -31.55350      12.65062  
1 1 1 4  6  5  o 470.052 10.623 81512.87  3659.97 80659.94  5136.73  82392.38  5216.14  466.042 15.038 470.990 15.110 -4.948486      21.31750  
1 1 1 4  6  6  o 223.500 5.0187 18333.54  822.149 19324.93  1497.84  17906.06  983.555  229.098 8.9200 220.803 6.0773 8.295395       10.79354  
1 1 1 4  6  7  o 244.466 4.7857 21932.88  857.529 22666.69  1244.29  21269.07  1183.45  248.342 6.8358 240.576 6.7115 7.765823       9.579793  
1 1 1 4  6  8  o 282.698 5.5038 29345.85  1140.42 31052.20  1701.98  27955.50  1536.31  290.485 7.9937 275.675 7.6033 14.81064       11.03222  
1 1 1 4  6  9  o 323.525 6.3141 38466.92  1497.26 38199.87  2106.25  38739.73  2128.83  321.950 8.9257 324.210 8.9585 -2.260345      12.64602  
1 1 1 4  6  10 o 227.414 4.7352 18987.40  789.292 19624.61  1078.09  18251.29  1158.73  231.031 6.3665 222.714 7.0983 8.317902       9.535101  
1 1 1 4  6  11 o 130.833 3.6086 6281.20   346.053 6230.29   485.419  6333.82   493.465  130.220 5.0858 131.294 5.1278 -1.074661      7.222151  
1 1 1 4  6  12 o 82.416  2.0579 2490.64   124.313 2495.29   161.197  2483.83   195.276  82.478  2.6665 82.271  3.2383 0.2072449      4.194866  
1 1 1 4  6  13 o 200.917 4.5298 14843.41  667.074 16166.62  1022.55  13863.07  880.157  209.276 6.6663 193.889 6.1934 15.38715       9.099267  
1 1 1 4  6  14 o 103.835 2.0370 3954.75   155.028 4128.43   228.094  3805.64   211.347  106.041 2.9347 101.818 2.8320 4.223480       4.078292  
1 1 1 4  6  15 o 28.041  0.8885 288.221   18.261  303.005   27.218   276.117   24.627   28.748  1.2917 27.443  1.2243 1.304569       1.779746  
1 1 1 4  6  16 f 80.215  1.5864 2359.89   93.273  2340.10   130.970  2380.25   132.866  79.849  2.2378 80.530  2.2510 -0.6813812     3.174078  
1 1 1 4  6  17 o 60.668  1.2093 1349.53   53.777  1418.20   79.665   1292.04   72.889   62.177  1.7481 59.349  1.6756 2.827484       2.421431  
1 1 1 4  6  18 o 26.931  0.6209 265.837   12.257  261.930   17.223   269.848   17.447   26.731  0.8791 27.132  0.8773 -0.4010277     1.241959  
1 1 1 4  6  19 o 32.663  0.7135 391.061   17.081  403.228   24.882   380.216   23.490   33.164  1.0236 32.204  0.9952 0.9598999      1.427617  
1 1 1 4  6  20 o 58.694  1.3611 1263.44   58.557  1212.96   79.447   1323.49   86.643   57.489  1.8854 60.048  1.9686 -2.558372      2.725843  
1 1 1 4  6  21 o 45.895  0.9532 772.268   32.066  797.040   47.023   750.734   43.841   46.615  1.3763 45.243  1.3221 1.372887       1.908401  
1 1 1 4  6  22 f 91.983  2.3163 3110.16   156.168 3272.85   257.189  3015.14   196.552  94.132  3.7276 90.480  2.9638 3.652275       4.762256  
1 1 1 4  6  23 f 51.290  1.0522 964.860   39.557  926.318   54.065   1009.26   58.030   50.237  1.4683 52.436  1.5099 -2.198650      2.106099  
1 1 1 4  6  24 o 57.381  1.1651 1208.24   49.001  1198.85   69.040   1217.77   69.559   57.120  1.6490 57.569  1.6485 -0.4490089     2.331673  
1 1 1 4  6  25 o 58.561  1.1944 1259.11   51.268  1375.84   78.411   1171.94   67.758   61.150  1.7494 56.451  1.6376 4.699024       2.396301  
1 1 1 4  6  26 o 53.068  1.3795 1035.29   53.659  1122.71   74.006   938.383   77.915   55.199  1.8292 50.420  2.1083 4.779003       2.791214  
1 1 1 4  6  27 o 65.719  1.3272 1588.34   63.929  1647.77   93.027   1535.17   88.001   66.815  1.8996 64.501  1.8614 2.314308       2.659532  
1 1 1 4  6  28 o 8.2918  1.1108 25.712    6.5815  13.177    9.3690   37.924    9.2475   6.0171  1.8995 10.075  1.2813 -4.057419      2.291300  
1 1 1 4  6  29 o 62.510  1.3601 1438.37   62.317  1550.82   88.372   1327.15   87.890   64.783  1.8611 59.890  2.0022 4.892441       2.733568  
1 1 1 4  6  30 o 55.794  1.1454 1145.11   46.843  1095.17   63.424   1205.04   69.481   54.471  1.5886 57.119  1.6596 -2.648300      2.297348  
1 1 1 4  6  31 o 35.460  1.2879 463.617   33.474  392.010   49.051   526.032   45.795   32.386  2.0773 37.696  1.6574 -5.309906      2.657501  
1 1 1 4  6  32 o 22.523  0.6125 186.202   10.111  199.163   14.843   174.980   13.811   23.274  0.8701 21.816  0.8637 1.458229       1.225991  
1 1 1 4  7  0  o 114.690 3.1681 4833.18   265.858 4955.60   385.461  4722.12   367.165  115.980 4.5503 113.216 4.4401 0.000000       0.000000  
1 1 1 4  7  1  o 346.819 6.8170 44211.40  1732.91 40882.35  2275.49  48808.02  2673.83  333.082 9.3206 363.782 10.028 -30.70047      13.69060  
1 1 1 4  7  2  o 294.603 6.6288 31893.59  1431.37 32057.12  2031.86  31732.48  2016.75  294.954 9.3985 293.461 9.3761 1.493500       13.27561  
1 1 1 4  7  3  o 184.877 4.1584 12539.20  563.491 12874.49  708.441  11961.74  929.716  187.280 5.1610 180.395 7.0315 6.884674       8.722215  
1 1 1 4  7  4  o 269.195 5.2454 26600.94  1034.96 27184.48  1732.14  26276.94  1290.68  271.742 8.6965 267.424 6.5847 4.317719       10.90819  
1 1 1 4  7  5  o 24.932  0.7653 227.809   13.985  224.750   19.650   230.949   19.909   24.763  1.0826 25.103  1.0821 -0.3392010     1.530664  
1 1 1 4  7  6  o 268.622 7.3962 26536.11  1456.23 27904.40  2161.08  25398.08  1970.88  274.938 10.724 262.383 10.248 12.55530       14.83332  
1 1 1 4  7  7  o 136.894 2.6745 6871.08   268.356 6909.16   439.706  6848.48   338.762  137.218 4.3719 136.649 3.3823 0.5688324      5.527515  
1 1 1 4  7  8  o 136.334 2.6589 6815.23   265.699 6937.39   382.448  6701.26   369.402  137.514 3.7944 135.156 3.7289 2.358139       5.320003  
1 1 1 4  7  9  o 349.445 6.8870 44922.19  1763.96 50147.70  2762.07  41322.96  2292.32  368.367 10.230 334.619 9.3464 33.74799       13.85667  
1 1 1 4  7  10 o 404.576 7.9382 60349.60  2353.98 63182.68  3467.05  57926.66  3206.28  412.617 11.464 395.250 11.068 17.36725       15.93456  
1 1 1 4  7  11 o 111.024 2.1915 4519.98   178.339 4525.06   250.809  4514.78   253.633  111.055 3.0812 110.927 3.1195 0.1277924      4.384697  
1 1 1 4  7  12 o 60.283  1.3922 1332.21   61.515  1412.46   91.722   1266.60   82.930   62.062  2.0164 58.772  1.9251 3.290230       2.787794  
1 1 1 4  7  13 o 166.622 3.2549 10195.71  397.518 10534.78  579.774  9894.90   546.087  169.183 4.6754 163.984 4.5434 5.199020       6.519361  
1 1 1 4  7  14 o 114.189 2.2365 4784.49   187.188 4599.75   255.113  4999.96   275.509  111.898 3.1105 116.655 3.2222 -4.756348      4.478579  
1 1 1 4  7  15 o 42.141  0.9958 650.999   30.759  667.839   44.561   635.673   42.511   42.676  1.4246 41.636  1.3930 1.039898       1.992455  
1 1 1 4  7  16 o 170.753 3.3596 10724.31  420.472 10987.38  608.549  10483.99  581.636  172.505 4.8130 168.534 4.7085 3.971130       6.733106  
1 1 1 4  7  17 o 72.711  1.4533 1938.92   77.452  2094.66   117.447  1819.07   103.030  75.544  2.1211 70.405  1.9965 5.138634       2.912952  
1 1 1 4  7  18 o 79.551  1.5785 2321.26   92.041  2169.75   121.595  2524.55   140.849  76.881  2.1578 82.919  2.3175 -6.037422      3.166552  
1 1 1 4  7  19 o 159.262 3.1397 9330.63   366.512 8683.99   483.758  10201.95  561.551  153.392 4.3027 166.173 4.6105 -12.78035      6.306359  
1 1 1 4  7  20 o 165.529 3.4949 10094.13  424.024 11468.29  730.767  9396.64   520.632  175.689 5.6748 159.448 4.4548 16.24046       7.214525  
1 1 1 4  7  21 o 121.142 2.3867 5393.54   211.916 5116.90   284.688  5737.32   317.354  117.842 3.2960 124.745 3.4709 -6.903030      4.786520  
1 1 1 4  7  22 o 68.822  1.7491 1739.22   88.230  1745.53   114.535  1730.01   138.370  68.900  2.2680 68.540  2.7544 0.3607941      3.567928  
1 1 1 4  7  23 o 61.711  1.4402 1397.95   65.145  1330.81   76.248   1579.45   125.363  60.189  1.7283 65.470  2.6124 -5.281731      3.132405  
1 1 1 4  7  24 o 9.1814  0.6785 31.078    4.5337  24.011    6.0219   40.325    6.8883   8.0215  1.0494 10.446  0.9088 -2.424116      1.388190  
1 1 1 4  7  25 o 58.399  1.1841 1252.46   50.686  1231.89   70.229   1274.82   73.227   57.861  1.6560 58.855  1.6975 -0.9937057     2.371439  
1 1 1 4  7  26 o 41.883  0.8862 643.782   27.204  651.206   38.789   636.595   38.164   42.094  1.2572 41.620  1.2510 0.4743309      1.773605  
1 1 1 4  7  27 o 34.470  0.7666 435.975   19.368  426.001   26.747   446.969   28.082   34.054  1.0716 34.879  1.0984 -0.8258934     1.534562  
1 1 1 4  7  28 o 50.783  1.3301 948.946   49.507  871.108   58.687   1141.03   92.193   48.603  1.6474 55.474  2.2674 -6.870113      2.802680  
1 1 1 4  7  29 o 37.047  0.8128 503.832   22.071  518.214   31.703   490.305   30.746   37.540  1.1522 36.515  1.1488 1.024498       1.627037  
1 1 1 4  7  30 o 18.437  0.6132 124.726   8.2865  112.844   11.746   136.500   11.692   17.500  0.9189 19.279  0.8274 -1.778236      1.236547  
1 1 1 4  7  31 o 32.155  0.8594 380.036   20.256  338.187   25.957   445.202   32.391   30.296  1.1689 34.743  1.2720 -4.447231      1.727525  
1 1 1 4  7  32 o 30.647  0.7656 345.106   17.197  363.491   27.313   333.030   22.136   31.396  1.1869 30.078  1.0041 1.317907       1.554636  
1 1 1 4  8  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  8  1  o 186.626 4.5933 12781.00  628.322 12887.91  818.211  12627.34  980.921  187.322 5.9593 185.323 7.2214 1.998596       9.362823  
1 1 1 4  8  2  o 229.864 5.1558 19396.00  868.651 19295.57  1222.76  19498.33  1234.23  229.080 7.2824 230.277 7.3125 -1.197311      10.32018  
1 1 1 4  8  3  o 160.501 3.6189 9448.56   425.725 10142.25  557.321  8476.70   659.669  166.247 4.5737 151.917 5.9243 14.33047       7.484441  
1 1 1 4  8  4  o 304.086 5.9253 33965.05  1320.65 35499.31  2247.02  33155.38  1632.34  310.249 9.8813 300.245 7.4174 10.00378       12.35553  
1 1 1 4  8  5  o 266.911 5.9971 26171.89  1173.24 26774.92  1697.95  25620.92  1623.00  269.625 8.5918 263.780 8.3945 5.844757       12.01196  
1 1 1 4  8  6  o 248.025 6.1131 22604.13  1111.32 24120.04  1871.34  21778.23  1381.27  255.646 9.9870 243.258 7.7469 12.38780       12.63940  
1 1 1 4  8  7  o 199.629 4.1610 14624.18  608.833 15392.42  974.381  14132.13  779.803  204.612 6.4971 196.152 5.4239 8.460190       8.463478  
1 1 1 4  8  8  o 71.758  1.4154 1887.40   74.444  2098.57   116.172  1740.27   96.971   75.658  2.0949 68.899  1.9202 6.758827       2.841789  
1 1 1 4  8  9  o 248.646 4.8434 22710.40  882.690 23589.08  1294.34  21946.47  1206.87  253.094 6.9773 244.162 6.7437 8.932373       9.703627  
1 1 1 4  8  10 o 137.608 2.6839 6945.80   270.704 6831.08   376.748  7068.24   389.223  136.408 3.7682 138.752 3.8272 -2.343826      5.370881  
1 1 1 4  8  11 o 117.944 2.3067 5102.17   199.410 5010.04   276.819  5201.54   287.500  116.828 3.2327 119.037 3.2952 -2.208176      4.616106  
1 1 1 4  8  12 o 133.092 3.6702 6508.40   358.028 6313.15   491.160  6729.78   522.993  130.921 5.1184 135.150 5.2796 -4.229309      7.353350  
1 1 1 4  8  13 o 64.563  1.2785 1528.23   60.503  1500.94   84.042   1557.59   87.172   63.972  1.7924 65.167  1.8250 -1.195133      2.557981  
1 1 1 4  8  14 f 78.436  1.5524 2256.20   89.249  2235.25   125.134  2277.89   127.329  78.045  2.1875 78.785  2.2050 -0.7400131     3.105956  
1 1 1 4  8  15 o 82.752  1.8881 2512.50   114.519 2328.33   150.098  2769.04   177.150  79.623  2.5719 86.816  2.7839 -7.193398      3.790137  
1 1 1 4  8  16 o 89.052  1.7533 2909.35   114.443 2904.62   162.027  2914.07   161.667  88.932  2.4857 89.077  2.4761 -0.1452942     3.508555  
1 1 1 4  8  17 o 169.664 3.5717 10597.85  444.162 10944.28  605.413  10194.03  653.635  172.099 4.7995 165.923 5.3746 6.176437       7.205656  
1 1 1 4  8  18 o 29.949  0.6636 328.771   14.566  331.237   20.729   326.366   20.473   30.059  0.9409 29.837  0.9361 0.2217598      1.327236  
1 1 1 4  8  19 o 36.883  0.9024 498.718   24.396  507.129   35.004   490.774   34.019   37.186  1.2843 36.582  1.2687 0.6042366      1.805274  
1 1 1 4  8  20 o 90.689  1.9211 3019.30   127.699 3045.87   170.780  2985.62   192.319  91.027  2.5597 90.081  2.9128 0.9451828      3.877667  
1 1 1 4  8  21 o 42.194  0.8833 652.745   27.319  670.058   39.289   636.541   38.012   42.740  1.2542 41.658  1.2449 1.082394       1.767124  
1 1 1 4  8  22 f 52.103  1.2266 995.979   46.842  1057.15   70.061   946.532   62.991   53.647  1.7818 50.768  1.6928 2.878578       2.457685  
1 1 1 4  8  23 o 64.125  1.2881 1509.30   60.541  1469.14   83.453   1553.92   87.962   63.219  1.8010 65.013  1.8459 -1.793507      2.578965  
1 1 1 4  8  24 o 51.027  1.0534 955.574   39.400  907.008   52.801   1016.59   59.183   49.682  1.4500 52.590  1.5354 -2.907249      2.111811  
1 1 1 4  8  25 o 64.825  1.5058 1545.81   71.546  1514.25   99.157   1580.08   103.335  64.044  2.1123 65.411  2.1553 -1.367477      3.017861  
1 1 1 4  8  26 o 13.390  0.5652 65.753    5.5473  57.858    7.4611   75.513    8.2952   12.530  0.8169 14.323  0.7932 -1.793561      1.138638  
1 1 1 4  8  27 o 56.479  1.2352 1172.92   51.135  1161.71   77.750   1181.46   67.882   56.083  1.8914 56.613  1.6359 -0.5300903     2.500735  
1 1 1 4  8  28 o 6.5934  1.0255 16.350    4.7948  11.836    6.7710   20.891    6.7909   5.5936  1.5812 7.4285  1.2943 -1.834890      2.043382  
1 1 1 4  8  29 o 10.691  0.6540 42.095    5.1001  45.203    7.2496   39.050    7.1761   11.057  0.9024 10.264  0.9652 0.7928047      1.321351  
1 1 1 4  8  30 o 23.449  0.6173 201.775   10.609  201.205   14.978   202.349   15.029   23.400  0.8733 23.466  0.8738 -0.6639290E-01 1.235353  
1 1 1 4  8  31 o 4.6743  1.2266 8.3510    4.2554  12.371    5.9188   4.0496    6.1224   5.6758  1.4249 3.9727  1.5146 1.703047       2.079475  
1 1 1 4  8  32 o 32.034  0.7344 376.981   17.244  387.288   24.846   367.403   23.951   32.429  1.0453 31.587  1.0345 0.8418922      1.470670  
1 1 1 4  9  0  o 170.379 4.7192 10671.15  588.319 9933.39   772.459  11690.22  907.863  164.141 6.4432 178.045 6.9812 0.000000       0.000000  
1 1 1 4  9  1  o 267.260 5.5889 26233.50  1094.81 25838.65  1433.20  26786.74  1696.49  265.030 7.3779 269.670 8.5830 -4.640106      11.31816  
1 1 1 4  9  2  o 293.174 6.5874 31594.84  1415.53 32373.82  2050.99  30886.26  1956.10  296.294 9.4441 289.448 9.2202 6.845337       13.19855  
1 1 1 4  9  3  o 286.885 6.4624 30252.26  1358.89 29855.42  1640.82  31118.75  2424.55  284.794 7.8605 290.054 11.404 -5.260376      13.85086  
1 1 1 4  9  4  o 431.879 8.4233 68713.05  2666.39 65527.42  4152.82  70947.47  3477.99  420.044 13.489 438.101 10.831 -18.05719      17.29903  
1 1 1 4  9  5  o 210.979 4.7349 16341.23  732.199 16744.12  1059.72  15973.21  1012.84  213.370 6.7761 208.416 6.6302 4.953979       9.480263  
1 1 1 4  9  6  o 48.100  1.3634 848.016   48.066  802.930   91.071   865.423   56.589   46.717  2.6707 48.590  1.5889 -1.872410      3.107645  
1 1 1 4  9  7  o 138.422 5.3893 7040.83   546.783 0.0000    0.0000   7040.83   546.783  ?       ?      138.422 5.3893 0.000000       5.389274  
1 1 1 4  9  8  o 144.616 3.5716 7675.16   378.578 7853.31   609.966  7563.53   482.829  146.129 5.6949 143.496 4.5906 2.633102       7.314772  
1 1 1 4  9  9  o 104.050 2.0301 3969.81   154.826 3911.96   215.676  4031.33   222.391  103.262 2.8496 104.824 2.8945 -1.561928      4.061816  
1 1 1 4  9  10 o 165.887 3.2366 10101.73  393.528 9662.39   531.538  10634.66  585.422  162.117 4.4733 170.050 4.6969 -7.933304      6.486217  
1 1 1 4  9  11 o 204.125 4.0065 15318.22  599.441 15755.19  870.461  14924.09  826.706  206.674 5.7462 201.180 5.6064 5.493881       8.028146  
1 1 1 4  9  12 o 229.854 5.2104 19488.83  877.812 19579.95  1240.19  19397.35  1242.64  229.647 7.3680 228.554 7.4178 1.093353       10.45517  
1 1 1 4  9  13 o 247.086 4.8338 22520.96  875.416 22913.63  1259.93  22154.44  1217.23  248.382 6.9206 244.290 6.7981 4.092560       9.700947  
1 1 1 4  9  14 o 31.583  0.7311 365.613   16.924  374.610   26.451   359.376   22.021   31.965  1.1290 31.310  0.9596 0.6549015      1.481665  
1 1 1 4  9  15 o 64.236  1.4757 1513.36   69.479  1491.25   96.686   1536.96   99.910   63.742  2.0695 64.710  2.1065 -0.9678879     2.952959  
1 1 1 4  9  16 o 25.292  0.6850 234.468   12.698  226.233   17.599   243.411   18.339   24.842  0.9665 25.767  0.9710 -0.9258595     1.370068  
1 1 1 4  9  17 o 67.464  1.3467 1669.16   66.591  1571.72   89.085   1792.55   100.247  65.445  1.8571 69.887  1.9570 -4.441483      2.697956  
1 1 1 4  9  18 o 60.860  1.2192 1358.25   54.387  1372.58   77.617   1344.43   76.231   61.161  1.7314 60.531  1.7182 0.6297226      2.439256  
1 1 1 4  9  19 o 67.438  1.9040 1669.49   94.116  1658.82   132.631  1680.32   133.575  67.167  2.6941 67.600  2.6958 -0.4336166     3.811251  
1 1 1 4  9  20 o 59.204  1.1949 1285.55   51.853  1305.59   74.116   1266.34   72.571   59.641  1.6955 58.738  1.6856 0.9029999      2.390790  
1 1 1 4  9  21 o 72.389  1.4407 1923.13   76.440  1872.90   105.354  1978.97   111.077  71.390  2.0134 73.378  2.0653 -1.988617      2.884298  
1 1 1 4  9  22 o 83.638  1.6670 2569.60   102.191 2661.05   150.281  2490.94   139.374  85.006  2.4120 82.260  2.3116 2.745697       3.340834  
1 1 1 4  9  23 o 28.788  0.7631 303.908   16.102  310.230   23.234   298.064   22.337   29.076  1.0902 28.501  1.0693 0.5750999      1.527062  
1 1 1 4  9  24 o 46.486  0.9635 793.030   32.829  842.459   48.811   752.200   44.362   47.876  1.3910 45.244  1.3377 2.632423       1.929851  
1 1 1 4  9  25 o 15.312  0.7514 86.008    8.4326  77.287    11.116   97.830    12.942   14.469  1.0554 16.285  1.0906 -1.815475      1.517696  
1 1 1 4  9  26 o 25.154  0.6195 232.070   11.422  239.793   16.517   224.994   15.812   25.558  0.8817 24.757  0.8714 0.8007202      1.239638  
1 1 1 4  9  27 o 41.866  0.8862 643.543   27.194  671.644   39.831   619.010   37.217   42.728  1.2718 41.024  1.2377 1.704189       1.774686  
1 1 1 4  9  28 o 19.986  0.6195 146.527   9.0743  138.100   11.690   159.304   14.394   19.395  0.8223 20.825  0.9430 -1.430048      1.251183  
1 1 1 4  9  29 o 33.760  0.7567 418.439   18.724  460.164   28.617   387.202   24.760   35.369  1.1039 32.450  1.0410 2.918163       1.517333  
1 1 1 4  9  30 o 6.5986  1.0411 16.412    4.8681  13.844    6.7776   19.149    6.9968   6.0045  1.5343 7.0799  1.3979 -1.075364      2.075632  
1 1 1 4  9  31 o 34.353  0.7767 433.706   19.556  480.077   30.068   399.706   25.746   36.086  1.1368 32.939  1.0664 3.147156       1.558698  
1 1 1 4  10 0  o 87.839  2.4608 2835.01   158.150 2939.14   323.774  2802.38   181.243  89.093  4.9940 87.293  2.8395 0.000000       0.000000  
1 1 1 4  10 1  o 86.421  1.9548 2737.93   123.822 2864.30   183.374  2632.01   167.873  88.378  2.8308 84.721  2.7034 3.656876       3.914323  
1 1 1 4  10 2  o 152.022 4.1911 8481.86   466.996 7913.57   615.166  9254.80   717.432  146.750 5.7192 158.665 6.1691 -11.91472      8.412281  
1 1 1 4  10 3  o 303.628 6.8206 33919.56  1517.91 33909.13  1858.65  33940.46  2630.23  303.281 8.3612 302.517 11.862 0.7640381      14.51277  
1 1 1 4  10 4  o 241.564 5.0253 21433.55  889.766 22010.39  1392.94  21035.95  1156.44  244.411 7.7755 239.119 6.5983 5.292007       10.19784  
1 1 1 4  10 5  o 398.935 8.3672 58718.82  2446.61 54082.14  3446.89  63426.88  3473.32  381.364 12.331 413.406 11.463 -32.04169      16.83607  
1 1 1 4  10 6  o 57.412  1.3111 1208.19   55.172  1167.04   75.552   1255.21   80.757   56.421  1.8270 58.513  1.8830 -2.092033      2.623631  
1 1 1 4  10 7  o 228.272 5.1540 19160.06  862.332 19653.19  1524.60  18928.08  1045.67  230.403 9.0279 226.702 6.2930 3.701355       11.00478  
1 1 1 4  10 8  o 50.019  1.0042 917.032   36.816  913.468   59.681   919.221   46.776   49.916  1.6313 50.076  1.2744 -0.1607742     2.070056  
1 1 1 4  10 9  o 24.007  0.5425 211.229   9.5468  218.207   13.738   204.711   13.276   24.400  0.7682 23.633  0.7664 0.7666245      1.085128  
1 1 1 4  10 10 f 70.649  1.3911 1829.95   72.034  1804.77   100.506  1856.55   103.296  70.147  1.9548 71.146  1.9809 -0.9983978     2.782977  
1 1 1 4  10 11 o 116.022 2.6138 4941.73   222.278 5087.56   323.301  4811.01   306.102  117.614 3.7503 114.383 3.6511 3.230774       5.234049  
1 1 1 4  10 12 o 60.237  1.3788 1330.49   60.876  1354.48   87.477   1307.96   84.769   60.760  1.9642 59.708  1.9370 1.051598       2.758638  
1 1 1 4  10 13 o 169.699 3.3139 10591.96  412.192 10609.87  584.632  10574.26  581.239  169.532 4.7049 169.253 4.6853 0.2796326      6.639883  
1 1 1 4  10 14 o 69.923  1.4845 1793.22   76.080  1951.15   125.528  1701.53   95.650   72.894  2.3495 68.094  1.9164 4.799881       3.031957  
1 1 1 4  10 15 o 98.318  2.4491 3550.57   176.492 3464.52   223.111  3694.45   288.504  97.050  3.1365 100.113 3.9317 -3.063446      5.029489  
1 1 1 4  10 16 o 149.316 5.8945 8281.84   645.114 8875.24   974.054  7818.18   861.024  153.137 8.7141 143.966 8.1936 9.170486       11.96120  
1 1 1 4  10 17 o 42.887  0.9515 674.313   29.908  649.206   43.768   696.307   40.965   42.071  1.4193 43.574  1.2826 -1.502773      1.913027  
1 1 1 4  10 18 o 168.762 3.3077 10490.51  409.150 10463.97  577.535  10517.25  579.721  168.122 4.6868 168.548 4.6926 -0.4253845     6.632228  
1 1 1 4  10 19 o 49.853  1.1708 911.479   42.782  977.486   64.328   859.128   57.288   51.607  1.7006 48.385  1.6154 3.221638       2.345548  
1 1 1 4  10 20 o 135.591 2.6669 6767.98   265.049 6699.86   372.216  6838.05   377.511  134.606 3.7727 135.982 3.7876 -1.376266      5.345953  
1 1 1 4  10 21 o 95.407  2.0311 3346.70   142.031 3402.21   191.363  3278.61   211.933  96.073  2.7176 94.237  3.0683 1.835876       4.098723  
1 1 1 4  10 22 o 97.147  1.9282 3471.67   137.295 3600.71   201.570  3359.98   187.520  98.735  2.7853 95.405  2.6816 3.330505       3.866388  
1 1 1 4  10 23 o 45.907  1.0976 773.614   36.934  773.871   52.479   773.361   51.988   45.877  1.5607 45.863  1.5465 0.1373672E-01  2.197148  
1 1 1 4  10 24 o 12.925  0.5647 61.258    5.3499  68.070    7.6839   54.850    7.4532   13.599  0.7741 12.198  0.8388 1.401956       1.141354  
1 1 1 4  10 25 o 72.924  1.8561 1963.14   99.211  1943.21   153.776  1977.35   129.851  72.175  2.9069 73.001  2.4268 -0.8259354     3.786728  
1 1 1 4  10 26 o 45.158  1.0148 749.151   33.591  766.823   52.873   737.190   43.497   45.610  1.5816 44.759  1.3259 0.8514252      2.063801  
1 1 1 4  10 27 f 24.333  0.6149 217.207   10.968  239.470   16.545   199.754   14.649   25.537  0.8839 23.324  0.8569 2.212124       1.231089  
1 1 1 4  10 28 o 14.388  0.5797 75.941    6.1136  72.425    8.4736   79.758    8.8293   14.020  0.8283 14.715  0.8219 -0.6955557     1.166873  
1 1 1 4  10 29 o 26.997  0.6573 267.514   13.007  269.048   18.342   265.962   18.448   27.054  0.9250 26.897  0.9357 0.1565437      1.315740  
1 1 1 4  10 30 o 44.817  1.3319 741.833   43.750  767.129   63.407   718.847   60.443   45.391  1.9059 43.950  1.8763 1.440975       2.674485  
1 1 1 4  10 31 o 5.9798  1.0875 13.585    4.5910  18.011    6.5306   9.2592    6.4555   6.8641  1.3461 5.0219  1.5755 1.842210       2.072305  
1 1 1 4  11 0  o 231.249 6.3859 19683.65  1080.52 19244.98  2110.84  19839.41  1257.81  227.157 12.770 231.990 7.4143 0.000000       0.000000  
1 1 1 4  11 1  o 215.695 4.8701 17092.07  769.949 16681.58  1064.82  17541.86  1114.63  212.838 6.8257 218.235 6.9683 -5.397018      9.754354  
1 1 1 4  11 2  o 226.880 5.5946 18927.44  930.341 18800.22  1193.24  19124.67  1485.73  225.868 7.2076 227.477 8.9109 -1.609268      11.46098  
1 1 1 4  11 3  o 46.011  0.9156 775.903   30.879  801.912   40.287   738.862   48.078   46.774  1.1751 44.896  1.4610 1.878338       1.874966  
1 1 1 4  11 4  o 48.914  0.9714 876.921   34.828  877.586   49.442   876.266   49.068   48.929  1.3786 48.893  1.3692 0.3673172E-01  1.943020  
1 1 1 4  11 5  o 287.341 5.5924 30385.96  1177.82 30276.87  1915.89  30452.23  1493.34  285.822 9.1452 287.288 7.0919 -1.465637      11.57280  
1 1 1 4  11 6  o 139.521 3.1402 7144.58   321.130 7377.29   468.055  6937.61   441.410  141.663 4.5078 137.388 4.3834 4.274887       6.287622  
1 1 1 4  11 7  o 22.567  0.6570 186.650   10.867  170.123   16.155   200.309   14.687   21.544  1.0231 23.377  0.8571 -1.833906      1.334704  
1 1 1 4  11 8  o 76.774  1.5062 2161.11   84.755  2262.76   144.620  2107.94   104.601  78.527  2.5126 75.814  1.8824 2.713173       3.139515  
1 1 1 4  11 9  o 85.863  1.6806 2703.67   105.770 2732.10   174.432  2687.14   133.014  86.265  2.7588 85.583  2.1204 0.6812897      3.479514  
1 1 1 4  11 10 o 177.054 3.4589 11526.23  448.873 11169.01  614.151  11935.89  657.688  174.021 4.8150 179.854 4.9891 -5.833176      6.933571  
1 1 1 4  11 11 f 24.766  0.6438 224.809   11.687  227.691   16.618   221.988   16.438   24.923  0.9097 24.608  0.9113 0.3141308      1.287684  
1 1 1 4  11 12 o 103.630 2.0280 3941.28   154.042 3997.11   220.407  3887.97   215.378  104.285 2.8835 102.854 2.8569 1.430817       4.059132  
1 1 1 4  11 13 o 215.567 4.2132 17142.81  665.699 16963.05  931.338  17330.59  951.878  213.738 5.9449 216.009 6.0121 -2.271164      8.455038  
1 1 1 4  11 14 o 135.891 2.6664 6786.26   265.577 7419.69   407.726  6319.47   350.011  141.864 3.9212 130.977 3.6459 10.88704       5.354278  
1 1 1 4  11 15 o 66.109  1.3131 1602.78   63.625  1650.77   92.649   1559.95   87.527   67.067  1.8847 65.198  1.8316 1.868309       2.628104  
1 1 1 4  11 16 o 83.891  2.0914 2583.95   128.598 2490.22   196.258  2654.47   170.236  82.246  3.2556 84.972  2.7334 -2.725380      4.250892  
1 1 1 4  11 17 o 71.336  1.4155 1866.68   74.011  1776.12   99.643   1978.13   110.537  69.554  1.9545 73.396  2.0547 -3.841919      2.835868  
1 1 1 4  11 18 o 37.969  0.8044 528.524   22.386  516.063   30.806   542.467   32.587   37.513  1.1204 38.460  1.1560 -0.9469223     1.609823  
1 1 1 4  11 19 o 58.818  1.1833 1268.96   51.012  1215.96   69.160   1332.19   75.546   57.554  1.6394 60.238  1.7110 -2.683651      2.369690  
1 1 1 4  11 20 o 73.456  1.4634 1980.68   78.789  1950.69   109.739  2012.58   113.190  72.841  2.0554 73.984  2.0873 -1.142799      2.929467  
1 1 1 4  11 21 o 31.697  0.7019 368.375   16.306  361.104   22.523   376.385   23.639   31.376  0.9794 32.032  1.0068 -0.6561470     1.404587  
1 1 1 4  11 22 f 22.514  0.5704 185.835   9.4123  181.415   13.038   190.645   13.602   22.240  0.7998 22.799  0.8140 -0.5583878     1.141170  
1 1 1 4  11 23 o 76.903  1.7732 2178.65   99.952  2303.92   149.289  2076.88   134.562  78.855  2.5830 74.909  2.4508 3.945259       3.560645  
1 1 1 4  11 24 o 26.707  0.6391 261.606   12.510  268.204   17.905   255.313   17.485   27.031  0.9037 26.373  0.9046 0.6576405      1.278648  
1 1 1 4  11 25 o 64.651  1.5207 1540.03   72.060  1468.49   118.545  1581.95   90.750   62.818  2.5747 65.429  1.8923 -2.610710      3.195290  
1 1 1 4  11 26 o 23.952  0.7627 210.554   13.389  202.232   16.758   225.241   22.264   23.462  0.9745 24.744  1.2276 -1.281258      1.567327  
1 1 1 4  11 27 o 25.910  0.8818 246.564   16.747  234.337   22.398   262.065   25.220   25.235  1.2110 26.679  1.2897 -1.443975      1.769110  
1 1 1 4  11 28 o 54.898  1.5849 1113.55   63.773  1107.68   89.290   1119.66   91.114   54.534  2.2338 54.815  2.2678 -0.2804871     3.183254  
1 1 1 4  11 29 o 22.307  0.8858 182.947   14.483  159.760   18.477   219.887   23.321   20.780  1.2184 24.374  1.3102 -3.593777      1.789211  
1 1 1 4  11 30 o 29.097  0.8051 311.254   17.171  289.638   20.009   371.653   33.446   28.048  0.9733 31.685  1.4401 -3.637449      1.738185  
1 1 1 4  12 0  o 194.064 5.3572 13862.73  760.706 14264.58  1563.65  13738.14  870.688  195.512 10.991 193.050 6.1676 0.000000       0.000000  
1 1 1 4  12 1  f 89.891  2.0283 2963.13   133.638 2778.26   217.012  3076.06   169.614  86.993  3.4034 91.572  2.5271 -4.579353      4.239045  
1 1 1 4  12 2  o 206.775 4.6724 15722.25  708.148 15369.62  849.542  16525.13  1281.90  204.280 5.6738 211.230 8.2797 -6.949173      10.03727  
1 1 1 4  12 3  o 200.375 3.9053 14750.85  573.564 15315.15  750.864  13960.28  888.739  204.007 5.0215 194.559 6.2322 9.447906       8.003521  
1 1 1 4  12 4  o 192.219 3.7408 13573.89  527.039 13838.85  758.997  13327.18  732.404  193.840 5.3421 190.239 5.2526 3.601547       7.491843  
1 1 1 4  12 5  o 175.901 3.4273 11364.68  441.873 11715.64  744.838  11174.09  548.897  178.245 5.7012 174.309 4.2963 3.936630       7.138705  
1 1 1 4  12 6  o 96.822  2.1850 3439.05   155.059 3328.40   212.634  3564.73   226.605  95.206  3.0471 98.522  3.1380 -3.316086      4.374020  
1 1 1 4  12 7  o 145.623 3.2791 7791.72   349.999 7507.81   584.055  7950.80   437.194  142.594 5.5882 147.001 4.0576 -4.406372      6.905951  
1 1 1 4  12 8  o 103.652 2.1643 3942.46   164.430 3897.81   248.380  3977.29   219.387  102.977 3.2907 104.058 2.8764 -1.081024      4.370677  
1 1 1 4  12 9  o 103.753 2.0270 3950.00   154.145 3907.58   248.891  3976.39   196.329  103.088 3.2940 104.059 2.5741 -0.9709702     4.180477  
1 1 1 4  12 10 o 108.074 2.1144 4286.90   167.489 4309.76   274.582  4273.36   211.365  108.225 3.4615 107.854 2.6737 0.3706131      4.373865  
1 1 1 4  12 11 o 160.237 3.9699 9464.74   466.255 9181.62   713.348  9675.91   616.066  157.168 6.1924 161.678 5.1987 -4.510452      8.085285  
1 1 1 4  12 12 o 47.750  0.9633 835.893   33.713  806.007   45.988   870.610   49.567   46.880  1.3384 48.722  1.3880 -1.841293      1.928139  
1 1 1 4  12 13 o 84.502  1.6615 2619.86   102.911 2677.86   148.635  2566.45   142.628  85.382  2.3750 83.591  2.3279 1.791252       3.325642  
1 1 1 4  12 14 o 84.074  1.6550 2593.42   101.988 2581.47   143.552  2605.60   144.924  83.832  2.3363 84.222  2.3477 -0.3899918     3.312042  
1 1 1 4  12 15 o 40.046  0.8334 587.900   24.461  641.521   37.194   547.030   32.471   41.825  1.2132 38.624  1.1470 3.201561       1.669611  
1 1 1 4  12 16 o 41.663  0.9936 636.452   30.343  637.811   42.984   635.102   42.840   41.698  1.4064 41.609  1.4047 0.8858871E-01  1.987730  
1 1 1 4  12 17 f 8.7499  0.6598 28.224    4.2002  25.688    5.7684   31.085    6.1278   8.3144  0.9645 9.1612  0.9253 -0.8467388     1.336525  
1 1 1 4  12 18 o 17.228  0.6068 108.793   7.6627  123.372   11.371   96.665    10.371   18.344  0.8457 16.213  0.8760 2.130301       1.217609  
1 1 1 4  12 19 o 87.250  1.7248 2796.24   110.302 2874.49   160.384  2726.00   151.939  88.356  2.4765 86.055  2.4089 2.301491       3.454841  
1 1 1 4  12 20 o 117.714 2.3142 5103.21   199.665 5094.63   281.672  5111.88   283.073  117.326 3.2754 117.520 3.2863 -0.1946640     4.639843  
1 1 1 4  12 21 o 15.455  0.5535 87.564    6.2696  96.162    9.2282   80.193    8.5443   16.193  0.7775 14.766  0.7924 1.426947       1.110141  
1 1 1 4  12 22 o 58.717  1.1926 1266.35   51.327  1263.35   72.042   1269.45   73.145   58.584  1.6777 58.722  1.6994 -0.1377182     2.388079  
1 1 1 4  12 23 o 9.6616  0.8443 34.518    5.9192  21.594    9.3011   43.315    7.6736   7.5058  1.7266 10.817  0.9784 -3.311709      1.984560  
1 1 1 4  12 24 o 40.812  0.9893 611.830   29.592  626.995   42.643   597.744   41.099   41.266  1.4099 40.294  1.3916 0.9716644      1.980960  
1 1 1 4  12 25 o 55.185  1.1261 1119.65   45.548  1160.61   66.167   1082.76   62.795   56.091  1.6094 54.184  1.5812 1.907574       2.256170  
1 1 1 4  12 26 o 34.806  0.7653 444.704   19.524  450.533   27.848   439.069   27.380   35.004  1.0854 34.556  1.0810 0.4477234      1.531891  
1 1 1 4  12 27 o 37.653  0.8185 520.664   22.589  564.128   33.902   485.960   30.293   39.148  1.1815 36.340  1.1373 2.807507       1.639942  
1 1 1 4  12 28 o 38.952  0.8415 557.578   24.024  597.382   35.816   525.020   32.392   40.260  1.2137 37.750  1.1707 2.509598       1.686315  
1 1 1 4  12 29 o 7.0217  1.1013 18.604    5.4816  18.866    7.8425   18.354    7.6648   6.9988  1.5677 6.9035  1.5525 0.9528065E-01  2.206323  
1 1 1 4  12 30 o 9.6891  0.7132 34.682    5.0294  25.099    6.6746   47.272    7.6502   8.1696  1.1462 11.294  0.9325 -3.123993      1.477638  
1 1 1 4  13 0  o 31.775  0.9287 370.994   21.588  360.990   41.641   374.671   25.246   31.219  1.8343 31.917  1.0820 0.000000       0.000000  
1 1 1 4  13 1  o 170.646 3.8342 10706.09  479.568 10835.75  840.751  10643.55  583.869  171.117 6.7034 170.014 4.6854 1.103256       8.178541  
1 1 1 4  13 2  o 13.851  0.4318 70.314    4.3838  61.924    5.8324   81.208    6.6461   12.998  0.6122 14.885  0.6092 -1.886949      0.8636189 
1 1 1 4  13 3  o 146.552 2.8547 7886.16   306.648 8024.14   394.675  7675.99   487.092  147.739 3.6447 144.365 4.6033 3.374420       5.871469  
1 1 1 4  13 4  o 49.658  0.9879 903.931   35.957  921.265   51.780   887.788   49.971   50.126  1.4094 49.207  1.3855 0.9187698      1.976336  
1 1 1 4  13 5  o 194.058 3.7873 13854.92  538.688 13890.14  884.756  13834.17  679.062  193.662 6.2330 193.688 4.7833 -0.2635193E-01 7.856860  
1 1 1 4  13 6  o 43.446  0.8743 691.917   27.841  691.044   45.718   692.431   35.101   43.410  1.4368 43.459  1.1019 -0.4902649E-01 1.810735  
1 1 1 4  13 7  o 70.070  1.5907 1800.79   81.698  1879.43   120.395  1733.68   111.225  71.552  2.2957 68.726  2.2080 2.826126       3.185191  
1 1 1 4  13 8  o 44.530  1.0357 726.968   33.805  760.611   61.476   712.385   40.474   45.530  1.8421 44.077  1.2528 1.453140       2.227783  
1 1 1 4  13 9  f 65.858  1.2991 1590.55   62.712  1600.27   103.105  1584.84   79.006   66.024  2.1306 65.727  1.6399 0.2962341      2.688655  
1 1 1 4  13 10 o 172.062 3.3574 10899.11  423.418 10939.11  694.035  10875.40  534.390  171.720 5.5142 171.642 4.2477 0.7801819E-01  6.960515  
1 1 1 4  13 11 o 76.508  1.9051 2148.45   106.836 2439.61   268.634  2093.75   116.440  81.117  4.5364 75.515  2.1037 5.601669       5.000465  
1 1 1 4  13 12 o 47.131  0.9534 814.386   32.935  818.058   46.882   810.808   46.279   47.227  1.3544 47.018  1.3429 0.2094154      1.907257  
1 1 1 4  13 13 o 58.594  1.1689 1259.00   50.200  1316.38   74.007   1210.09   68.320   59.895  1.6858 57.429  1.6231 2.466381       2.340128  
1 1 1 4  13 14 o 128.214 2.5089 6042.22   235.778 5877.56   323.852  6227.93   343.935  126.281 3.4989 129.966 3.6105 -3.685493      5.027692  
1 1 1 4  13 15 o 93.318  1.8337 3196.89   125.420 3151.48   174.754  3245.13   180.108  92.576  2.5754 93.937  2.6159 -1.360420      3.670902  
1 1 1 4  13 16 o 22.466  0.6522 185.007   10.740  182.107   14.934   188.113   15.456   22.286  0.9142 22.651  0.9310 -0.3643055     1.304841  
1 1 1 4  13 17 o 64.241  1.3678 1514.22   64.405  1571.47   88.152   1448.67   94.326   65.413  1.8386 62.789  2.0496 2.623985       2.753425  
1 1 1 4  13 18 o 71.865  2.0127 1898.70   106.015 1866.73   147.031  1933.31   153.003  71.149  2.8194 72.397  2.8834 -1.247299      4.032727  
1 1 1 4  13 19 o 78.512  1.5564 2264.10   89.563  2241.33   125.289  2287.90   128.080  78.030  2.1906 78.833  2.2166 -0.8024216     3.116467  
1 1 1 4  13 20 o 58.999  1.1910 1277.85   51.504  1280.56   73.335   1275.21   72.350   59.011  1.6955 58.890  1.6762 0.1211815      2.384187  
1 1 1 4  13 21 o 51.680  1.0530 980.477   39.889  972.783   55.787   988.526   57.057   51.434  1.4798 51.846  1.5015 -0.4119492     2.108132  
1 1 1 4  13 22 o 8.1855  0.7192 24.769    4.2713  24.165    5.9998   25.390    6.0821   8.0449  1.0420 8.2516  1.0279 -0.2066355     1.463665  
1 1 1 4  13 23 o 25.387  0.7207 236.476   13.411  215.057   17.659   265.666   20.615   24.196  0.9957 26.890  1.0460 -2.693562      1.444101  
1 1 1 4  13 24 o 47.577  1.3830 833.676   48.226  820.336   66.628   848.356   69.893   47.084  1.9307 47.866  1.9921 -0.7824860     2.774177  
1 1 1 4  13 25 o 44.212  0.9208 718.082   29.838  721.701   42.318   714.504   42.079   44.270  1.3042 44.049  1.3033 0.2211456      1.843785  
1 1 1 4  13 26 o 7.0395  0.8015 18.431    4.0619  19.817    5.6876   16.989    5.8028   7.2582  1.1039 6.6889  1.2289 0.5693274      1.651880  
1 1 1 4  13 27 o 6.5235  0.8687 15.913    4.0504  17.867    5.8527   14.117    5.6112   6.8647  1.2073 6.0734  1.2998 0.7913609      1.773943  
1 1 1 4  13 28 o 26.276  0.6441 253.516   12.405  249.757   17.426   257.378   17.663   26.056  0.9125 26.450  0.9111 -0.3946857     1.289438  
1 1 1 4  13 29 o 12.470  1.0381 57.709    9.4021  87.116    18.808   47.912    10.856   15.206  1.7176 11.304  1.3361 3.902448       2.176088  
1 1 1 4  14 0  o 41.334  1.1741 627.776   35.505  652.994   73.281   620.041   40.586   41.989  2.3990 41.060  1.3519 0.000000       0.000000  
1 1 1 4  14 1  f 128.568 2.8947 6073.60   272.785 5950.12   463.462  6139.05   337.423  126.930 4.9816 129.172 3.5639 -2.241692      6.125180  
1 1 1 4  14 2  o 36.961  0.8637 500.788   23.399  480.960   31.972   523.656   34.336   36.218  1.2044 37.791  1.2396 -1.572914      1.728327  
1 1 1 4  14 3  o 172.580 3.3711 10956.32  426.428 11033.05  543.322  10833.23  688.140  172.984 4.2852 171.079 5.4878 1.904526       6.962691  
1 1 1 4  14 4  f 268.385 5.2583 26647.47  1034.38 26418.33  1449.74  26885.09  1476.30  265.986 7.4362 268.277 7.5078 -2.291260      10.56710  
1 1 1 4  14 5  o 111.868 2.1826 4594.12   178.964 4400.15   280.285  4727.63   232.537  109.336 3.4975 113.420 2.7972 -4.084534      4.478475  
1 1 1 4  14 6  o 88.961  1.7385 2903.67   113.357 2827.36   180.426  2953.43   145.705  87.705  2.8067 89.689  2.2164 -1.983902      3.576332  
1 1 1 4  14 7  o 105.250 2.3738 4068.91   183.124 4062.02   258.754  4075.81   259.200  105.042 3.3608 105.220 3.3609 -0.1781769     4.752958  
1 1 1 4  14 8  o 104.327 2.5859 4000.12   197.740 3880.24   303.504  4088.54   260.655  102.544 4.0381 105.370 3.3750 -2.825294      5.262731  
1 1 1 4  14 9  o 52.148  1.0412 997.076   39.797  1027.20   66.907   980.583   49.508   52.908  1.7253 51.708  1.3063 1.200180       2.164060  
1 1 1 4  14 10 o 106.921 2.0910 4197.83   163.872 4004.81   255.691  4332.37   213.480  104.275 3.3454 108.552 2.6831 -4.277214      4.288485  
1 1 1 4  14 11 o 19.754  0.5739 143.027   8.3093  122.021   12.984   157.598   10.814   18.217  0.9759 20.735  0.7115 -2.517851      1.207793  
1 1 1 4  14 12 o 57.759  1.2328 1223.49   52.191  1297.85   84.414   1177.48   66.404   59.457  1.9370 56.648  1.5993 2.808392       2.511917  
1 1 1 4  14 13 o 107.804 2.1085 4268.57   166.605 4348.01   239.869  4194.52   231.579  108.678 3.0113 106.750 2.9597 1.927299       4.222299  
1 1 1 4  14 14 o 84.003  1.6515 2589.91   101.681 2565.63   142.310  2615.24   145.336  83.547  2.3239 84.348  2.3508 -0.8009949     3.305612  
1 1 1 4  14 15 o 59.826  1.1940 1312.78   52.357  1316.15   74.341   1309.46   73.751   59.877  1.6939 59.725  1.6847 0.1518402      2.389040  
1 1 1 4  14 16 o 85.196  1.7919 2665.80   111.898 2605.93   144.739  2754.74   176.415  84.169  2.3461 86.473  2.7834 -2.304771      3.640270  
1 1 1 4  14 17 o 131.610 2.9834 6394.30   287.790 6215.21   395.630  6595.56   419.404  129.306 4.1744 133.147 4.2975 -3.841537      5.991166  
1 1 1 4  14 18 o 61.744  1.4298 1399.87   64.707  1289.48   84.295   1558.23   100.961  59.210  1.9424 65.066  2.1170 -5.856163      2.873031  
1 1 1 4  14 19 o 49.744  1.0133 907.976   36.947  920.524   52.935   896.057   51.592   50.054  1.4429 49.386  1.4253 0.6681900      2.028113  
1 1 1 4  14 20 o 84.295  1.6727 2615.55   103.346 2776.01   154.518  2485.68   139.015  86.631  2.4335 82.012  2.3126 4.618645       3.357067  
1 1 1 4  14 21 f 48.779  0.9987 873.724   35.708  846.321   48.905   905.013   52.258   47.963  1.3911 49.592  1.4377 -1.628738      2.000545  
1 1 1 4  14 22 o 40.592  0.8576 604.892   25.517  607.170   36.075   602.610   36.097   40.634  1.2112 40.481  1.2166 0.1534691      1.716734  
1 1 1 4  14 23 o 32.009  0.8311 376.172   19.498  368.278   27.277   384.420   27.883   31.642  1.1761 32.328  1.1767 -0.6859684     1.663731  
1 1 1 4  14 24 o 10.600  0.7532 41.455    5.8139  47.761    8.0699   34.649    8.3833   11.358  0.9789 9.6274  1.2151 1.730867       1.560341  
1 1 1 4  14 25 o 41.249  0.8733 625.054   26.402  605.526   36.166   647.335   38.631   40.553  1.2167 41.923  1.2572 -1.369991      1.749573  
1 1 1 4  14 26 o 64.693  1.3082 1543.32   62.034  1539.62   87.390   1547.09   88.073   64.417  1.8509 64.569  1.8610 -0.1518021     2.624681  
1 1 1 4  14 27 o 39.198  0.8462 564.907   24.313  566.620   34.515   563.220   34.253   39.193  1.2015 39.077  1.1959 0.1165848      1.695222  
1 1 1 4  14 28 o 11.315  0.6386 47.175    5.2749  40.975    7.2898   53.988    7.6423   10.505  0.9572 12.082  0.8688 -1.576833      1.292694  
1 1 1 4  14 29 o 28.629  1.3513 303.528   28.355  296.142   38.653   312.134   41.722   28.081  1.8890 28.795  1.9890 -0.7140713     2.743082  
1 1 1 4  15 0  o 28.507  0.8482 298.643   17.687  356.038   40.667   285.254   19.642   31.003  1.8036 27.846  0.9650 0.000000       0.000000  
1 1 1 4  15 1  o 103.268 2.3280 3916.78   176.212 3771.06   294.175  3998.32   220.060  101.120 3.9691 104.278 2.8792 -3.157677      4.903368  
1 1 1 4  15 2  o 45.174  1.0396 748.217   34.421  721.653   47.050   778.805   50.489   44.356  1.4472 46.078  1.4949 -1.721653      2.080678  
1 1 1 4  15 3  o 195.863 3.8241 14145.24  548.984 14457.27  915.828  13970.24  685.869  196.964 6.3438 194.301 4.8160 2.662216       7.964734  
1 1 1 4  15 4  o 112.018 2.1841 4608.09   179.322 4672.05   257.126  4547.52   250.213  112.674 3.1135 111.168 3.0708 1.505493       4.373013  
1 1 1 4  15 5  o 103.378 2.1577 3924.66   163.490 4093.32   260.246  3814.70   210.131  105.419 3.3681 101.845 2.8149 3.573990       4.389521  
1 1 1 4  15 6  f 114.103 2.2250 4782.04   186.083 4856.57   308.652  4739.48   233.239  114.768 3.6692 113.519 2.8032 1.248688       4.617427  
1 1 1 4  15 7  o 103.044 2.0136 3898.67   152.082 3847.83   245.645  3930.26   193.660  102.211 3.2789 103.401 2.5552 -1.190102      4.156984  
1 1 1 4  15 8  o 31.338  0.7651 360.007   17.574  355.846   24.685   364.283   25.025   31.152  1.0811 31.519  1.0832 -0.3671055     1.530394  
1 1 1 4  15 9  o 50.970  1.1767 952.732   43.961  1003.50   80.456   931.125   52.490   52.272  2.1000 50.381  1.4214 1.891094       2.535804  
1 1 1 4  15 10 o 87.045  1.9714 2782.08   125.778 2662.83   208.589  2850.22   157.666  85.005  3.3479 88.059  2.4428 -3.053871      4.144317  
1 1 1 4  15 11 o 77.691  1.6327 2215.07   92.974  2218.85   142.265  2212.25   122.835  77.686  2.4985 77.602  2.1596 0.8428955E-01  3.302447  
1 1 1 4  15 12 o 59.403  1.1810 1294.21   51.422  1365.16   88.282   1257.77   63.261   60.968  1.9756 58.549  1.4741 2.419296       2.464937  
1 1 1 4  15 13 o 37.619  0.7829 518.825   21.587  508.896   29.973   529.526   31.117   37.251  1.0978 37.998  1.1173 -0.7470512     1.566338  
1 1 1 4  15 14 o 52.855  1.0612 1024.57   41.111  1020.38   57.799   1028.86   58.487   52.728  1.4955 52.947  1.5071 -0.2182236     2.123188  
1 1 1 4  15 15 o 80.940  1.5948 2405.46   94.613  2447.73   135.937  2365.75   131.766  81.569  2.2737 80.196  2.2417 1.373344       3.192909  
1 1 1 4  15 16 o 110.978 2.1755 4532.65   176.960 4549.88   251.030  4515.64   249.495  110.953 3.0868 110.537 3.0794 0.4160156      4.360173  
1 1 1 4  15 17 o 94.531  2.3646 3293.84   163.839 3324.07   261.872  3274.39   210.021  94.543  3.7790 94.074  3.0459 0.4693222      4.853683  
1 1 1 4  15 18 o 93.428  1.8421 3212.96   126.148 3185.68   176.790  3241.26   180.055  92.831  2.5983 93.629  2.6237 -0.7983017     3.692541  
1 1 1 4  15 19 o 54.844  1.1060 1104.52   44.459  1131.10   64.255   1080.12   61.580   55.441  1.5812 54.182  1.5506 1.259518       2.214664  
1 1 1 4  15 20 o 46.529  0.9555 794.896   32.587  797.909   46.115   791.891   46.054   46.573  1.3509 46.396  1.3543 0.1763763      1.912864  
1 1 1 4  15 21 o 44.081  0.9188 713.561   29.685  705.722   41.377   721.875   42.613   43.795  1.2890 44.290  1.3127 -0.4951019     1.839716  
1 1 1 4  15 22 f 48.143  0.9869 851.745   34.827  849.328   49.055   854.201   49.452   48.010  1.3940 48.146  1.4013 -0.1361389     1.976625  
1 1 1 4  15 23 o 29.359  0.6731 316.323   14.486  338.280   21.441   297.886   19.648   30.339  0.9642 28.472  0.9415 1.867079       1.347602  
1 1 1 4  15 24 o 28.287  0.7724 293.830   16.014  295.556   22.785   292.145   22.513   28.342  1.0968 28.179  1.0900 0.1633549      1.546338  
1 1 1 4  15 25 o 44.656  0.9359 733.192   30.633  711.108   42.059   758.140   44.704   43.912  1.3068 45.332  1.3454 -1.420403      1.875594  
1 1 1 4  15 26 o 13.930  0.9177 71.680    9.3170  79.735    14.063   65.380    12.438   14.635  1.3254 13.245  1.2979 1.389635       1.855038  
1 1 1 4  15 27 o 30.895  0.7135 350.767   16.158  340.834   22.255   361.838   23.496   30.414  0.9983 31.333  1.0231 -0.9189186     1.429449  
1 1 1 4  15 28 o 18.448  0.5748 124.981   7.7719  131.301   11.226   119.163   10.771   18.890  0.8107 17.995  0.8166 0.8948288      1.150716  
1 1 1 4  16 0  o 11.522  0.5917 49.038    4.9665  49.969    6.2911   47.498    8.0911   11.605  0.7467 11.252  0.9992 -0.000000      0.000000  
1 1 1 4  16 1  o 23.749  0.5934 206.744   10.330  201.003   17.630   209.745   12.748   23.413  1.0273 23.920  0.7271 -0.5067787     1.258606  
1 1 1 4  16 2  o 58.146  1.3277 1240.11   56.584  1276.93   82.424   1207.29   77.818   58.976  1.9068 57.348  1.8513 1.627735       2.657681  
1 1 1 4  16 3  o 88.063  1.7210 2846.25   111.083 2918.41   185.998  2806.25   138.495  89.059  2.8494 87.405  2.1618 1.654060       3.576622  
1 1 1 4  16 4  f 57.377  1.1369 1207.25   47.813  1212.14   78.921   1204.42   60.098   57.461  1.8739 57.298  1.4310 0.1624794      2.357770  
1 1 1 4  16 5  o 98.154  1.9197 3537.27   138.106 3656.20   201.927  3432.75   189.305  99.691  2.7635 96.608  2.6734 3.082443       3.845004  
1 1 1 4  16 6  o 86.591  1.6946 2751.89   107.550 2751.50   175.643  2752.12   136.034  86.479  2.7710 86.557  2.1442 -0.7743073E-01 3.503724  
1 1 1 4  16 7  o 133.624 2.6078 6566.66   255.411 6611.76   420.050  6540.20   321.717  133.683 4.2869 133.215 3.2949 0.4680176      5.406850  
1 1 1 4  16 8  o 66.828  1.5202 1638.68   74.463  1623.11   104.414  1654.80   106.222  66.470  2.1432 67.114  2.1593 -0.6444092     3.042345  
1 1 1 4  16 9  o 110.743 2.7417 4512.92   222.541 4593.94   358.219  4462.00   283.992  111.378 4.3880 109.970 3.5233 1.408096       5.627453  
1 1 1 4  16 10 o 60.722  1.3864 1352.76   61.706  1322.18   104.665  1369.05   76.394   59.967  2.3813 61.069  1.7067 -1.101803      2.929706  
1 1 1 4  16 11 o 8.3715  0.5386 25.795    3.2873  27.537    5.3501   24.738    4.1665   8.6238  0.8578 8.1846  0.7013 0.4392185      1.107996  
1 1 1 4  16 12 o 142.639 2.7961 7494.39   292.326 7246.09   462.121  7660.03   377.438  139.688 4.5135 143.975 3.5767 -4.286148      5.758850  
1 1 1 4  16 13 o 18.574  0.5303 126.465   7.2195  131.137   11.409   123.344   9.3237   18.912  0.8231 18.343  0.6935 0.5691776      1.076276  
1 1 1 4  16 14 o 26.082  0.6418 249.399   12.270  251.575   18.977   247.836   16.085   26.190  0.9886 25.997  0.8441 0.1925049      1.299940  
1 1 1 4  16 15 o 62.169  1.2354 1418.55   56.293  1409.36   79.039   1428.00   80.193   61.922  1.7415 62.329  1.7554 -0.4065895     2.472648  
1 1 1 4  16 16 o 41.372  0.8537 627.813   25.889  627.394   36.539   628.235   36.687   41.341  1.2058 41.369  1.2099 -0.2748489E-01 1.708218  
1 1 1 4  16 17 o 23.182  0.7881 197.115   13.391  214.655   20.047   182.980   17.996   24.180  1.1311 22.326  1.0997 1.854053       1.577606  
1 1 1 4  16 18 o 26.378  0.6125 255.171   11.843  258.069   16.779   252.294   16.718   26.519  0.8632 26.220  0.8699 0.2986717      1.225505  
1 1 1 4  16 19 o 50.056  1.0180 920.364   37.348  906.930   52.053   934.618   53.619   49.635  1.4308 50.383  1.4520 -0.7485771     2.038477  
1 1 1 4  16 20 o 15.607  0.5284 89.327    6.0445  79.721    8.0445   101.783   9.1600   14.720  0.7481 16.653  0.7504 -1.933821      1.059619  
1 1 1 4  16 21 o 56.596  1.1440 1178.44   47.457  1231.95   69.818   1132.48   64.702   57.747  1.6495 55.381  1.5940 2.365902       2.293818  
1 1 1 4  16 22 o 27.788  0.6512 283.359   13.263  301.834   19.528   267.541   18.070   28.659  0.9297 26.983  0.9137 1.675907       1.303477  
1 1 1 4  16 23 o 25.708  1.0323 243.098   19.451  220.099   32.133   256.401   24.437   24.303  1.8171 26.378  1.2640 -2.074995      2.213433  
1 1 1 4  16 24 o 12.344  0.7529 56.172    6.7797  47.591    9.5249   64.985    9.6522   11.307  1.1660 13.254  1.0010 -1.946425      1.536705  
1 1 1 4  16 25 o 18.608  0.5770 127.080   7.8701  136.478   11.469   118.715   10.820   19.270  0.8120 17.971  0.8214 1.298353       1.155005  
1 1 1 4  16 26 o 4.8275  1.2219 8.9432    4.3276  12.757    6.1642   5.2362    6.0771   5.7562  1.4591 4.1724  1.5250 1.583874       2.110567  
1 1 1 4  16 27 o 31.319  0.7221 360.653   16.577  374.363   23.973   348.090   22.948   31.855  1.0267 30.719  1.0192 1.136656       1.446707  
1 1 1 4  17 0  o 111.497 3.0888 4578.26   251.986 4933.40   541.321  4480.01   284.714  114.835 6.4785 110.208 3.5329 0.000000       0.000000  
1 1 1 4  17 1  o 79.711  1.8079 2332.73   105.626 2286.85   179.886  2356.87   130.489  78.785  3.1151 80.086  2.2230 -1.300911      3.826960  
1 1 1 4  17 2  f 75.261  1.7042 2079.13   94.011  2115.70   135.366  2045.06   130.661  75.857  2.4346 74.584  2.3901 1.272789       3.411751  
1 1 1 4  17 3  o 61.059  1.2018 1367.40   53.783  1371.03   88.227   1365.26   67.847   61.099  1.9701 60.997  1.5176 0.1022148      2.486828  
1 1 1 4  17 4  o 77.195  1.5127 2186.66   85.592  2149.25   137.717  2210.21   109.256  76.452  2.4576 77.579  1.9214 -1.127281      3.119587  
1 1 1 4  17 5  o 42.364  0.9126 658.044   28.338  656.212   43.648   659.379   37.259   42.292  1.4081 42.400  1.1989 -0.1084518     1.849341  
1 1 1 4  17 6  o 39.674  0.8069 577.069   23.463  588.482   39.493   570.843   29.169   40.051  1.3453 39.455  1.0086 0.5958099      1.681424  
1 1 1 4  17 7  o 41.981  0.8497 646.158   26.147  632.788   42.147   654.522   33.337   41.530  1.3846 42.246  1.0766 -0.7166557     1.753920  
1 1 1 4  17 8  o 172.493 3.3767 10981.70  426.922 10890.50  693.404  11037.37  541.786  170.760 5.5401 172.560 4.2836 -1.799667      7.002993  
1 1 1 4  17 9  o 25.219  0.6617 233.140   12.230  216.492   16.406   253.967   18.349   24.298  0.9212 26.317  0.9513 -2.018641      1.324196  
1 1 1 4  17 10 f 90.277  3.5671 3013.06   236.036 0.0000    0.0000   3013.06   236.036  ?       ?      90.277  3.5671 0.000000       3.567131  
1 1 1 4  17 11 o 74.962  1.4743 2062.73   81.006  2026.60   130.217  2085.53   103.463  74.205  2.3942 75.338  1.8737 -1.133362      3.040166  
1 1 1 4  17 12 o 34.461  0.7258 435.410   18.332  412.024   28.739   451.454   23.803   33.511  1.1700 35.085  0.9256 -1.574356      1.491895  
1 1 1 4  17 13 o 36.375  0.7572 485.186   20.189  501.310   34.153   476.524   25.031   36.956  1.2608 36.043  0.9475 0.9130096      1.577164  
1 1 1 4  17 14 o 101.330 1.9874 3779.45   147.602 3869.64   246.686  3729.15   184.217  102.142 3.2950 100.525 2.5002 1.616524       4.136216  
1 1 1 4  17 15 o 17.221  0.5375 108.723   6.7849  117.265   10.870   103.271   8.6845   17.880  0.8294 16.781  0.7061 1.098686       1.089252  
1 1 1 4  17 16 o 79.312  1.5650 2314.32   90.977  2334.01   129.618  2295.19   127.726  79.491  2.2247 78.831  2.2106 0.6599884      3.136201  
1 1 1 4  17 17 o 68.275  2.7298 1733.39   136.609 1778.50   197.197  1691.77   189.424  68.519  3.9432 66.855  3.8823 1.663185       5.533656  
1 1 1 4  17 18 o 36.856  0.9056 498.811   24.463  485.835   33.894   512.922   35.344   36.339  1.2725 37.336  1.2916 -0.9970932     1.813133  
1 1 1 4  17 19 o 25.646  0.6091 241.276   11.449  246.982   16.325   235.755   16.060   25.934  0.8588 25.337  0.8648 0.5966759      1.218766  
1 1 1 4  17 20 o 50.419  1.4683 937.953   54.262  878.353   72.431   1014.19   81.920   48.641  2.0316 52.230  2.1399 -3.589405      2.950655  
1 1 1 4  17 21 o 17.573  0.5444 113.282   7.0118  110.296   9.7057   116.543   10.141   17.331  0.7640 17.815  0.7766 -0.4834690     1.089466  
1 1 1 4  17 22 o 23.188  0.5940 197.303   10.095  189.361   13.838   206.341   14.761   22.702  0.8316 23.697  0.8498 -0.9946957     1.189018  
1 1 1 4  17 23 o 33.820  1.0393 420.967   25.763  439.379   37.205   404.007   35.708   34.477  1.4723 33.060  1.4736 1.417149       2.083057  
1 1 1 4  17 24 o 23.256  0.7147 198.677   12.183  195.876   17.162   201.521   17.298   23.064  1.0152 23.395  1.0088 -0.3306808     1.431161  
1 1 1 4  17 25 f 31.820  0.7205 372.151   16.804  384.216   24.289   361.076   23.273   32.283  1.0265 31.298  1.0145 0.9850845      1.443235  
1 1 1 4  17 26 o 11.703  0.6371 50.476    5.4446  46.702    7.5799   54.498    7.8256   11.219  0.9302 12.132  0.8862 -0.9124422     1.284754  
1 1 1 4  17 27 o 26.287  0.6510 253.977   12.543  252.994   17.605   254.990   17.874   26.200  0.9168 26.301  0.9272 -0.1014709     1.303904  
1 1 1 4  18 0  o 71.114  1.9817 1859.97   103.111 1879.05   120.354  1807.31   199.916  71.435  2.3041 69.726  3.9405 -0.000000      0.000000  
1 1 1 4  18 1  o 69.827  1.4639 1789.28   74.925  1786.11   114.359  1791.66   99.174   69.702  2.2384 69.838  1.9374 -0.1356201     2.960455  
1 1 1 4  18 2  o 135.289 3.3525 6755.46   332.441 6732.67   523.199  6770.90   430.522  134.344 5.3133 135.118 4.3471 -0.7738647     6.865049  
1 1 1 4  18 3  o 9.2170  0.4249 31.137    2.8704  25.432    5.0836   33.807    3.4778   8.2851  0.8491 9.5910  0.4964 -1.305895      0.9835922 
1 1 1 4  18 4  o 91.669  1.7919 3086.15   120.397 3104.86   197.908  3075.15   151.697  91.783  2.9419 91.448  2.2632 0.3342438      3.711675  
1 1 1 4  18 5  o 121.143 2.3649 5398.77   209.991 5415.94   344.362  5388.61   264.954  120.948 3.8845 120.892 2.9901 0.5536652E-01  4.902089  
1 1 1 4  18 6  o 50.080  0.9960 919.781   36.559  936.874   52.801   904.039   50.670   50.525  1.4258 49.633  1.3928 0.8916588      1.993209  
1 1 1 4  18 7  o 46.221  0.9258 783.425   31.363  804.946   52.751   771.658   39.007   46.826  1.5370 45.864  1.1603 0.9616623      1.925775  
1 1 1 4  18 8  o 59.952  1.1850 1318.62   52.072  1316.33   85.101   1320.00   65.836   59.847  1.9401 59.965  1.4979 -0.1177597     2.451034  
1 1 1 4  18 9  o 56.322  1.1201 1163.73   46.241  1201.56   77.933   1143.17   57.446   57.179  1.8595 55.806  1.4044 1.372581       2.330308  
1 1 1 4  18 10 o 53.804  1.7721 1063.91   69.885  1201.84   136.211  1014.63   81.417   56.899  3.2800 52.511  2.1154 4.387348       3.902968  
1 1 1 4  18 11 o 32.644  0.6902 390.734   16.515  378.439   26.428   398.611   21.153   32.114  1.1228 32.967  0.8754 -0.8531075     1.423711  
1 1 1 4  18 12 o 29.646  0.6459 322.256   14.035  325.878   23.417   320.225   17.532   29.800  1.0721 29.549  0.8095 0.2512035      1.343402  
1 1 1 4  18 13 o 58.102  1.1593 1239.36   49.372  1308.25   85.033   1204.32   60.641   59.600  1.9465 57.247  1.4452 2.353138       2.424358  
1 1 1 4  18 14 o 37.955  0.7896 528.453   21.967  545.680   37.025   519.095   27.289   38.536  1.3108 37.607  0.9900 0.9289398      1.642674  
1 1 1 4  18 15 f 42.283  0.8686 656.134   26.918  662.953   44.430   652.179   33.834   42.451  1.4279 42.138  1.0955 0.3132935      1.799738  
1 1 1 4  18 16 o 86.254  1.8247 2747.09   115.358 2764.48   177.194  2734.30   151.976  86.087  2.8082 85.812  2.4163 0.2754288      3.704662  
1 1 1 4  18 17 o 54.570  1.3905 1097.00   55.617  1072.62   70.126   1138.33   91.310   53.872  1.7760 55.358  2.2504 -1.485100      2.866772  
1 1 1 4  18 18 o 8.4583  0.9319 26.605    5.6817  26.513    9.8788   26.650    6.9453   8.3240  1.6771 8.4332  1.1539 -0.1091080     2.035738  
1 1 1 4  18 19 o 8.5587  0.6590 27.044    4.1020  29.202    5.7264   24.769    5.8789   8.8700  0.8929 8.1460  1.0060 0.7239714      1.345126  
1 1 1 4  18 20 o 28.044  0.6443 288.661   13.244  305.485   19.419   274.028   18.111   28.827  0.9190 27.304  0.9049 1.523275       1.289793  
1 1 1 4  18 21 o 13.075  0.5436 62.722    5.2097  62.564    7.3024   62.885    7.4347   13.028  0.7681 13.061  0.7802 -0.3230190E-01 1.094865  
1 1 1 4  18 22 o 42.870  0.8985 675.840   28.231  642.904   38.180   715.567   41.933   41.746  1.2478 44.030  1.2993 -2.283840      1.801464  
1 1 1 4  18 23 o 26.394  0.6428 255.812   12.436  246.290   17.092   266.524   18.128   25.873  0.9013 26.912  0.9190 -1.039694      1.287213  
1 1 1 4  18 24 o 8.5867  0.8451 27.395    5.2498  22.533    7.2483   32.761    7.6138   7.6933  1.3337 9.3520  1.1339 -1.658730      1.750614  
1 1 1 4  18 25 o 23.497  0.6177 202.874   10.638  198.833   14.787   207.209   15.315   23.233  0.8684 23.715  0.8811 -0.4824886     1.237081  
1 1 1 4  18 26 o 7.8308  0.8599 22.861    4.8542  27.131    7.0390   18.989    6.7030   8.4860  1.1622 7.0380  1.3485 1.448023       1.780217  
1 1 1 4  19 0  o 53.556  1.5055 1054.55   58.993  1018.83   113.506  1067.77   69.052   52.386  2.9782 53.860  1.7534 0.000000       0.000000  
1 1 1 4  19 1  o 66.509  1.3061 1623.23   63.668  1616.21   89.708   1630.36   90.375   66.321  1.8454 66.610  1.8511 -0.2892075     2.613841  
1 1 1 4  19 2  f 16.637  0.5894 101.460   7.1871  0.0000    0.0000   101.460   7.1871   ?       ?      16.637  0.5894 0.000000       0.5893970 
1 1 1 4  19 3  o 38.770  0.7835 551.130   22.265  542.629   36.181   556.312   28.247   38.454  1.2837 38.946  0.9895 -0.4921150     1.620790  
1 1 1 4  19 4  o 48.510  0.9656 863.049   34.334  865.053   56.457   861.873   43.252   48.535  1.5870 48.466  1.2176 0.6903076E-01  2.000268  
1 1 1 4  19 5  o 46.607  0.9310 796.645   31.804  778.141   51.173   808.291   40.596   46.035  1.5166 46.936  1.1800 -0.9012642     1.921614  
1 1 1 4  19 6  o 45.164  0.9036 748.100   29.913  753.070   49.585   745.256   37.507   45.286  1.4938 45.069  1.1354 0.2167358      1.876352  
1 1 1 4  19 7  o 18.435  0.5010 124.571   6.7691  120.574   13.801   125.838   7.7676   18.099  1.0448 18.527  0.5720 -0.4283409     1.191123  
1 1 1 4  19 8  o 52.138  1.0383 997.340   39.678  1028.80   67.074   980.405   49.213   52.902  1.7298 51.677  1.2993 1.224407       2.163440  
1 1 1 4  19 9  o 55.846  1.1094 1144.58   45.413  1140.64   74.195   1146.94   57.426   55.683  1.8179 55.880  1.4021 -0.1964645     2.295773  
1 1 1 4  19 10 o 33.023  0.8766 400.037   21.219  385.003   32.580   411.111   27.962   32.374  1.3730 33.466  1.1400 -1.091961      1.784560  
1 1 1 4  19 11 o 28.856  0.7292 305.389   15.422  322.733   28.862   298.458   18.245   29.639  1.3286 28.522  0.8727 1.116539       1.589569  
1 1 1 4  19 12 o 30.647  0.8465 344.603   19.014  329.744   29.582   355.063   24.820   29.952  1.3475 31.097  1.0889 -1.144421      1.732463  
1 1 1 4  19 13 o 27.288  0.6492 273.111   12.986  283.285   20.552   266.349   16.753   27.776  1.0095 26.940  0.8484 0.8354416      1.318675  
1 1 1 4  19 14 o 40.158  0.8270 591.928   24.343  571.377   38.717   605.363   31.304   39.406  1.3405 40.592  1.0521 -1.186451      1.704075  
1 1 1 4  19 15 o 7.4927  0.5981 20.725    3.2574  22.558    5.0917   19.455    4.2381   7.7843  0.9096 7.2343  0.8134 0.5500250      1.220191  
1 1 1 4  19 16 o 13.612  0.5270 67.961    5.2583  77.452    9.5834   63.873    6.2897   14.492  0.9068 13.194  0.6504 1.298138       1.115935  
1 1 1 4  19 17 o 25.225  0.5902 233.469   10.911  217.186   17.054   244.754   14.197   24.305  0.9573 25.818  0.7502 -1.512217      1.216265  
1 1 1 4  19 18 o 38.675  0.9440 549.956   26.760  589.842   40.293   518.482   35.793   39.979  1.3750 37.496  1.3024 2.482929       1.893916  
1 1 1 4  19 19 f 23.754  0.5810 207.065   10.116  209.501   14.298   204.623   14.314   23.878  0.8170 23.597  0.8276 0.2804451      1.162907  
1 1 1 4  19 20 o 12.451  0.5394 56.889    4.9231  58.434    6.9188   55.303    7.0066   12.590  0.7532 12.243  0.7849 0.3463354      1.087876  
1 1 1 4  19 21 o 25.948  0.6173 247.187   11.741  253.762   16.830   240.953   16.387   26.268  0.8741 25.596  0.8735 0.6714401      1.235721  
1 1 1 4  19 22 o 17.910  0.5845 117.762   7.6725  115.925   10.210   120.146   11.629   17.757  0.7845 18.070  0.8781 -0.3130474     1.177454  
1 1 1 4  19 23 o 33.932  0.7470 423.472   18.578  412.233   25.606   435.963   26.995   33.422  1.0453 34.364  1.0718 -0.9423866     1.497098  
1 1 1 4  19 24 o 14.670  0.5814 79.062    6.2512  77.692    8.7141   80.515    8.9726   14.501  0.8233 14.762  0.8327 -0.2605267     1.170949  
1 1 1 4  19 25 o 16.086  0.7064 95.199    8.3292  101.193   12.068   89.747    11.510   16.523  1.0012 15.554  1.0152 0.9686670      1.425859  
1 1 1 4  20 0  o 59.053  1.6529 1282.80   71.415  1183.83   131.858  1323.89   84.954   56.416  3.2126 59.952  1.9379 0.000000       0.000000  
1 1 1 4  20 1  o 78.502  1.5385 2263.98   88.524  2257.71   124.982  2270.29   125.403  78.297  2.1778 78.515  2.1791 -0.2176514     3.080810  
1 1 1 4  20 2  o 98.365  2.4372 3568.10   175.714 0.0000    0.0000   3568.10   175.714  ?       ?      98.365  2.4372 0.000000       2.437161  
1 1 1 4  20 3  o 82.737  1.6203 2515.85   98.263  2517.16   160.823  2515.07   124.128  82.562  2.6576 82.655  2.0489 -0.9267426E-01 3.355706  
1 1 1 4  20 4  o 25.102  0.5412 230.996   9.9570  238.303   17.194   227.309   12.213   25.488  0.9204 24.898  0.6692 0.5892715      1.137958  
1 1 1 4  20 5  o 39.514  0.7976 572.641   23.099  577.255   38.452   570.035   28.893   39.646  1.3232 39.415  1.0001 0.2310181      1.658664  
1 1 1 4  20 6  o 35.653  0.7288 466.161   19.046  442.965   30.187   481.501   24.548   34.736  1.1857 36.228  0.9245 -1.491943      1.503483  
1 1 1 4  20 7  o 51.198  1.0333 961.997   38.774  920.958   74.406   977.295   45.430   49.991  2.0307 51.590  1.2014 -1.599102      2.359438  
1 1 1 4  20 8  o 51.249  1.4566 965.497   54.715  973.597   78.343   957.783   76.449   51.383  2.0802 50.969  2.0464 0.4139252      2.918038  
1 1 1 4  20 9  o 25.816  0.6097 244.399   11.536  237.901   17.872   249.040   15.104   25.460  0.9577 26.055  0.7909 -0.5952625     1.242074  
1 1 1 4  20 10 o 19.012  0.5385 132.534   7.5041  127.973   12.786   134.931   9.2683   18.648  0.9384 19.180  0.6593 -0.5321732     1.146842  
1 1 1 4  20 11 o 44.765  1.0500 736.070   34.450  696.959   46.379   784.214   51.457   43.514  1.4541 46.148  1.5213 -2.634022      2.104476  
1 1 1 4  20 12 o 5.9562  0.8378 13.278    3.5564  19.218    8.4492   11.999    3.9206   7.0776  1.6578 5.6339  0.9853 1.443615       1.928529  
1 1 1 4  20 13 f 55.241  1.1078 1122.15   44.853  1103.49   72.183   1133.89   57.247   54.626  1.8028 55.470  1.4080 -0.8445168     2.287516  
1 1 1 4  20 14 f 21.166  0.5248 164.323   8.1421  161.561   13.344   165.962   10.277   20.971  0.8681 21.266  0.6593 -0.2943478     1.090125  
1 1 1 4  20 15 f 25.379  0.5843 236.323   10.869  223.336   17.227   244.912   14.010   24.647  0.9536 25.827  0.7401 -1.179296      1.207070  
1 1 1 4  20 16 o 34.090  0.8336 427.030   20.829  419.981   35.580   430.705   25.691   33.718  1.4397 34.213  1.0245 -0.4949532     1.767011  
1 1 1 4  20 17 o 48.466  0.9878 864.257   35.092  845.086   56.251   876.472   44.900   47.771  1.6065 48.748  1.2566 -0.9771690     2.039628  
1 1 1 4  20 18 o 23.651  0.5703 205.283   9.8859  215.300   16.985   200.151   12.157   24.190  0.9580 23.344  0.7105 0.8456974      1.192710  
1 1 1 4  20 19 o 27.895  0.8295 286.080   16.961  262.535   25.820   303.952   22.495   26.657  1.3215 28.723  1.0685 -2.065653      1.699387  
1 1 1 4  20 20 o 22.565  0.5716 186.921   9.4540  189.476   13.365   184.362   13.375   22.701  0.8033 22.391  0.8150 0.3095093      1.144283  
1 1 1 4  20 21 o 19.802  0.5517 143.965   8.0074  162.861   12.025   128.911   10.733   21.043  0.7796 18.722  0.7822 2.321594       1.104352  
1 1 1 4  20 22 o 47.527  1.3862 839.008   48.290  853.398   68.552   824.835   68.036   47.614  1.9643 46.799  1.9835 0.8157463      2.791501  
1 1 1 4  20 23 o 4.9729  1.1298 9.5147    4.0245  6.5876    5.4604   12.996    5.9548   4.3352  1.4558 5.7954  1.4143 -1.460232      2.029671  
1 1 1 4  20 24 o 11.192  0.6266 46.197    5.1191  41.683    6.9105   51.685    7.6204   10.592  0.8986 11.804  0.8873 -1.212246      1.262835  
1 1 1 4  21 0  o 2.7912  1.2327 4.1110    2.6514  5.9411    3.0953   -0.9326   5.1384   3.4651  1.3033 2.0559  1.3509 -0.000000      0.000000  
1 1 1 4  21 1  o 54.942  1.1676 1108.49   47.020  1073.87   69.817   1137.23   63.609   54.007  1.7637 55.605  1.5607 -1.598068      2.355094  
1 1 1 4  21 2  o 54.846  2.1852 1110.26   87.845  1167.45   130.780  1063.25   118.576  55.926  3.2038 53.412  3.0415 2.514004       4.417537  
1 1 1 4  21 3  o 38.801  0.7835 552.249   22.282  550.282   36.657   553.402   28.061   38.700  1.2923 38.830  0.9859 -0.1303368     1.625472  
1 1 1 4  21 4  o 39.273  0.9160 565.997   26.366  569.143   37.821   563.022   36.776   39.354  1.3112 39.144  1.2818 0.2097931      1.833629  
1 1 1 4  21 5  o 29.626  0.8917 322.092   19.363  335.439   23.330   292.547   34.712   30.226  1.0531 28.136  1.6911 2.089922       1.992158  
1 1 1 4  21 6  o 37.557  0.8831 517.663   24.311  532.735   35.737   504.679   33.168   38.070  1.2807 37.059  1.2211 1.011017       1.769525  
1 1 1 4  21 7  o 79.308  1.8049 2320.02   104.919 2388.43   152.948  2259.22   144.194  80.191  2.6022 78.023  2.5214 2.167580       3.623384  
1 1 1 4  21 8  o 23.275  0.5216 198.645   8.8982  196.023   19.167   199.366   10.046   23.095  1.1323 23.315  0.5879 -0.2197552     1.275796  
1 1 1 4  21 9  o 22.262  0.5750 181.770   9.3820  179.721   16.645   182.723   11.358   22.116  1.0268 22.316  0.6944 -0.1995392     1.239581  
1 1 1 4  21 10 o 56.639  1.2047 1180.34   50.013  1190.58   77.341   1172.97   65.567   56.730  1.8600 56.381  1.5866 0.3492851      2.444797  
1 1 1 4  21 11 o 8.7807  0.4684 28.355    3.0036  21.653    4.8844   32.431    3.8089   7.6258  0.8906 9.3861  0.5561 -1.760325      1.050007  
1 1 1 4  21 12 o 16.065  0.5488 94.676    6.4621  107.478   9.6690   84.341    8.6873   17.108  0.7711 15.134  0.7859 1.973728       1.100978  
1 1 1 4  21 13 f 25.797  0.6206 244.225   11.734  246.124   18.315   242.903   15.283   25.871  0.9659 25.714  0.8109 0.1567955      1.261147  
1 1 1 4  21 14 o 17.031  0.4841 106.405   6.0436  107.805   10.151   105.637   7.5220   17.128  0.8086 16.965  0.6049 0.1630039      1.009827  
1 1 1 4  21 15 o 42.953  0.8817 678.416   27.759  686.890   46.157   673.614   34.745   43.095  1.4613 42.759  1.1086 0.3355675      1.834210  
1 1 1 4  21 16 o 23.976  0.7649 211.230   13.442  207.998   25.291   212.502   15.868   23.664  1.4654 24.035  0.9007 -0.3719311     1.720072  
1 1 1 4  21 17 o 6.9536  0.6787 17.928    3.4151  23.990    5.3094   13.650    4.4602   8.0225  0.9195 6.0004  1.0525 2.022075       1.397618  
1 1 1 4  21 18 f 46.871  0.9629 808.933   33.080  765.632   51.651   839.046   43.073   45.428  1.5512 47.663  1.2329 -2.235023      1.981512  
1 1 1 4  21 19 o 8.6370  0.7166 27.606    4.4955  31.281    6.1772   23.469    6.5547   9.1693  0.9321 7.8882  1.1691 1.281060       1.495161  
1 1 1 4  21 20 o 6.2395  0.7826 14.548    3.5002  12.848    5.5643   15.662    4.5025   5.7727  1.3407 6.4439  0.9845 -0.6711969     1.663411  
1 1 1 4  21 21 o 8.6049  0.6566 27.385    4.1099  32.411    5.8038   22.330    5.8207   9.3385  0.8575 7.7017  1.0591 1.636786       1.362751  
1 1 1 4  21 22 o 20.074  0.6519 148.225   9.5916  151.485   13.342   144.739   13.799   20.259  0.8985 19.795  0.9510 0.4646091      1.308350  
1 1 1 4  21 23 o 14.838  0.5571 80.906    6.0583  78.105    8.3568   84.009    8.7956   14.537  0.7872 15.077  0.7988 -0.5391350     1.121507  
1 1 1 4  22 0  f 45.826  1.2978 772.917   43.513  866.743   96.540   748.998   48.745   48.196  2.7534 45.080  1.4788 0.000000       0.000000  
1 1 1 4  22 1  o 72.562  1.4269 1938.48   75.891  1916.52   122.731  1952.07   96.566   71.876  2.3296 72.714  1.8119 -0.8378525     2.951286  
1 1 1 4  22 2  o 38.615  0.9885 547.683   27.976  578.800   46.990   530.597   34.820   39.622  1.6180 37.982  1.2507 1.640053       2.045093  
1 1 1 4  22 3  o 23.528  0.8649 203.238   14.915  203.238   14.915   0.0000    0.0000   23.528  0.8649 ?       ?      0.000000       0.8648503 
1 1 1 4  22 4  o 15.182  0.6024 84.547    6.7029  88.442    8.2707   77.091    11.442   15.525  0.7268 14.442  1.0889 1.082899       1.309221  
1 1 1 4  22 5  o 16.220  0.6299 96.513    7.4889  92.685    8.7615   106.895   14.428   15.891  0.7522 17.009  1.1644 -1.117599      1.386199  
1 1 1 4  22 6  o 25.939  0.8176 247.035   15.545  238.425   17.688   276.249   32.580   25.474  0.9473 27.305  1.6355 -1.830421      1.890002  
1 1 1 4  22 7  o 25.738  1.5822 245.523   29.704  0.0000    0.0000   245.523   29.704   ?       ?      25.738  1.5822 0.000000       1.582215  
1 1 1 4  22 8  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  22 9  o 19.922  0.8825 145.859   12.886  0.0000    0.0000   145.859   12.886   ?       ?      19.922  0.8825 0.000000       0.8824622 
1 1 1 4  22 10 o 15.705  0.5116 90.483    5.8892  103.588   13.338   87.310    6.5636   16.740  1.0931 15.425  0.5805 1.314326       1.237684  
1 1 1 4  22 11 o 12.027  0.4502 53.053    3.9687  49.090    6.4305   55.491    5.0439   11.534  0.7650 12.297  0.5596 -0.7625828     0.9478024 
1 1 1 4  22 12 o 36.272  0.7539 483.403   20.044  487.935   33.375   480.846   25.069   36.360  1.2523 36.150  0.9461 0.2106781      1.569532  
1 1 1 4  22 13 f 16.667  0.5636 101.955   6.8855  103.089   9.7451   100.826   9.7301   16.747  0.7939 16.562  0.8015 0.1853485      1.128154  
1 1 1 4  22 14 o 27.857  0.6618 285.011   13.512  285.303   20.925   284.802   17.696   27.830  1.0258 27.826  0.8677 0.4083633E-02  1.343580  
1 1 1 4  22 15 o 18.737  0.5011 128.830   6.8813  127.538   11.479   129.554   8.5972   18.621  0.8411 18.783  0.6245 -0.1619072     1.047556  
1 1 1 4  22 16 o 21.735  0.6204 173.495   9.8838  170.977   17.216   174.733   12.071   21.502  1.0960 21.802  0.7554 -0.2996845     1.331143  
1 1 1 4  22 17 o 22.843  0.5628 191.587   9.4222  179.994   15.012   199.121   12.103   22.106  0.9265 23.275  0.7094 -1.169247      1.166961  
1 1 1 4  22 18 o 17.890  0.5239 117.500   6.8691  116.805   11.132   117.928   8.7291   17.810  0.8528 17.912  0.6649 -0.1021500     1.081323  
1 1 1 4  22 19 o 25.382  0.6078 236.788   11.308  255.342   19.473   227.348   13.890   26.291  1.0105 24.850  0.7626 1.440472       1.265982  
1 1 1 4  22 20 o 5.9098  1.5893 13.532    7.0341  24.527    11.178   6.3239    9.0508   7.8973  1.9441 4.8304  1.8415 3.066886       2.677859  
1 1 1 4  22 21 o 30.659  0.7383 346.315   16.591  353.238   26.019   341.571   21.538   30.848  1.1508 30.391  0.9669 0.4566593      1.503051  
1 1 1 4  22 22 o 14.811  0.6123 80.692    6.6472  90.857    11.906   76.088    8.0122   15.629  1.0454 14.348  0.7646 1.280431       1.295179  
1 1 1 4  23 0  o 82.748  2.3141 2538.70   140.105 2538.70   140.105  0.0000    0.0000   82.748  2.3141 82.748  2.3141 -0.000000      0.000000  
1 1 1 4  23 1  o 20.480  0.5273 153.864   7.9159  167.254   12.147   143.980   10.436   21.340  0.7766 19.803  0.7190 1.537415       1.058323  
1 1 1 4  23 2  o 23.815  0.7329 208.251   12.793  211.803   15.120   199.302   24.001   24.009  0.8592 23.194  1.4186 0.8145370      1.658538  
1 1 1 4  23 3  o 13.469  1.0442 67.144    10.228  67.144    10.228   0.0000    0.0000   13.469  1.0442 ?       ?      0.000000       1.044235  
1 1 1 4  23 4  o 29.332  0.8764 316.232   18.841  317.209   21.984   313.529   36.569   29.362  1.0215 29.036  1.7261 0.3264484      2.005706  
1 1 1 4  23 5  o 18.156  0.6518 121.005   8.6740  121.241   10.348   120.449   15.908   18.167  0.7771 18.037  1.2103 0.1298161      1.438305  
1 1 1 4  23 6  o 31.814  0.9507 372.267   22.168  375.445   26.031   363.879   42.289   31.928  1.1124 31.242  1.8551 0.6858749      2.163032  
1 1 1 4  23 7  o 20.370  0.7007 152.376   10.461  150.484   12.280   157.383   19.973   20.234  0.8280 20.604  1.3297 -0.3697453     1.566378  
1 1 1 4  23 8  o 29.376  0.9009 317.427   19.398  322.967   23.009   303.816   36.065   29.610  1.0602 28.548  1.7318 1.062521       2.030516  
1 1 1 4  23 9  o 53.543  2.1848 1074.96   85.742  1108.36   125.604  1045.81   117.334  53.587  3.2127 52.152  3.0832 1.435173       4.452820  
1 1 1 4  23 10 o 10.951  0.7535 44.280    6.0109  52.350    9.9065   39.577    7.5620   11.858  1.1545 10.317  1.0131 1.540784       1.535959  
1 1 1 4  23 11 o 14.462  0.5111 76.747    5.4175  78.108    11.572   76.365    6.1309   14.514  1.0959 14.423  0.5800 0.9099197E-01  1.239863  
1 1 1 4  23 12 o 35.759  0.7419 470.006   19.445  468.542   32.156   470.850   24.414   35.611  1.2320 35.760  0.9314 -0.1498451     1.544445  
1 1 1 4  23 13 o 33.949  0.7132 423.601   17.747  431.912   29.883   419.074   22.057   34.193  1.1924 33.740  0.8919 0.4529495      1.489032  
1 1 1 4  23 14 o 29.559  0.7531 321.288   16.316  311.658   22.635   331.703   23.540   29.065  1.0625 29.984  1.0711 -0.9185219     1.508695  
1 1 1 4  23 15 o 22.932  0.6003 193.171   10.090  188.483   15.437   196.667   13.333   22.616  0.9312 23.120  0.7868 -0.5038586     1.219093  
1 1 1 4  23 16 o 22.512  0.5905 186.178   9.7440  183.825   15.044   187.878   12.789   22.331  0.9192 22.595  0.7722 -0.2642536     1.200490  
1 1 1 4  23 17 o 5.3263  0.8391 10.706    3.1675  8.7776    5.0470   11.959    4.0686   4.7987  1.3682 5.6025  1.0287 -0.8038025     1.711771  
1 1 1 4  23 18 o 46.685  0.9592 805.474   32.824  788.765   52.829   815.981   41.890   45.876  1.5711 46.868  1.2194 -0.9914169     1.988815  
1 1 1 4  23 19 o 9.9330  0.5640 36.391    4.0893  40.192    6.5099   33.913    5.2556   10.399  0.8619 9.5628  0.7560 0.8357611      1.146459  
1 1 1 4  23 20 o 24.053  0.6299 212.930   11.105  215.880   17.264   210.847   14.504   24.148  0.9754 23.899  0.8280 0.2494640      1.279467  
1 1 1 4  24 0  o 60.214  2.4172 1354.00   106.291 1354.00   106.291  0.0000    0.0000   60.214  2.4172 60.214  2.4172 -0.000000      0.000000  
1 1 1 4  24 1  o 15.859  0.5539 92.312    6.4387  97.286    7.7466   81.197    11.580   16.276  0.6493 14.805  1.0745 1.471432       1.255435  
1 1 1 4  24 2  o 9.6030  0.6416 34.016    4.4900  34.016    4.4900   0.0000    0.0000   9.6030  0.6416 ?       ?      0.000000       0.6415983 
1 1 1 4  24 3  o 4.0739  1.2394 6.1538    4.0310  22.645    8.0414   0.6191    4.6586   7.6917  1.4801 3.0185  1.2610 4.673180       1.944449  
1 1 1 4  24 4  o 43.234  1.2359 690.489   39.164  693.110   45.514   683.012   76.871   43.256  1.4355 42.426  2.4828 0.8297424      2.867926  
1 1 1 4  24 5  o 54.015  1.5341 1082.66   60.738  1092.12   70.863   1056.45   117.908  54.131  1.7860 52.298  3.0897 1.832890       3.568743  
1 1 1 4  24 6  o 10.239  0.6444 38.660    4.8116  36.874    6.0066   41.858    8.0380   9.9783  0.8288 10.605  1.0478 -0.6267910     1.335938  
1 1 1 4  24 7  o 11.194  0.6631 46.197    5.4166  51.050    7.1304   39.577    8.3289   11.751  0.8333 10.297  1.1218 1.454193       1.397395  
1 1 1 4  24 8  o 37.400  1.0997 516.100   30.144  522.726   35.457   498.826   57.252   37.592  1.2868 36.361  2.1578 1.231205       2.512422  
1 1 1 4  24 9  o 19.210  0.9933 136.376   13.938  115.957   19.056   159.863   20.437   17.613  1.4901 20.732  1.3523 -3.119034      2.012259  
1 1 1 4  24 10 o 17.059  0.7092 106.979   8.8673  111.829   13.730   103.508   11.615   17.374  1.0836 16.734  0.9509 0.6401005      1.441626  
1 1 1 4  24 11 o 7.8576  0.9523 23.085    5.3727  21.493    9.0088   23.963    6.6932   7.4475  1.6892 7.9670  1.1820 -0.5195107     2.061692  
1 1 1 4  24 12 o 13.578  0.7572 68.025    7.5058  66.909    11.485   68.857    9.9166   13.400  1.1814 13.627  0.9998 -0.2265244     1.547699  
1 1 1 4  24 13 o 16.020  0.4390 94.185    5.1547  89.533    8.7981   96.617    6.3608   15.598  0.7696 16.221  0.5350 -0.6226654     0.9372561 
1 1 1 4  24 14 o 33.835  0.7130 421.169   17.683  424.148   29.576   419.511   22.060   33.837  1.1925 33.731  0.8923 0.1059608      1.489352  
1 1 1 4  24 15 o 15.423  0.5233 87.379    5.9161  79.017    8.6751   94.649    8.0889   14.620  0.8128 16.038  0.6881 -1.418084      1.064936  
1 1 1 4  24 16 o 22.495  0.5909 186.082   9.7430  180.138   14.838   190.587   12.918   22.081  0.9168 22.738  0.7751 -0.6576462     1.200557  
1 1 1 4  24 17 o 22.895  0.5589 192.748   9.3791  181.891   15.061   199.625   11.987   22.176  0.9266 23.277  0.7026 -1.101192      1.162840  
1 1 1 4  24 18 o 25.625  0.5996 241.661   11.262  234.566   18.273   246.007   14.301   25.156  0.9910 25.823  0.7556 -0.6672897     1.246211  
1 1 1 4  24 19 o 9.8886  0.5659 36.085    4.0844  43.466    6.8239   31.965    5.0986   10.810  0.8686 9.2784  0.7563 1.531217       1.151723  
1 1 1 4  25 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  25 1  o 28.301  1.1721 296.018   24.314  296.018   24.314   0.0000    0.0000   28.301  1.1721 ?       ?      0.000000       1.172101  
1 1 1 4  25 2  o 11.315  0.5097 46.998    4.2271  52.008    5.2327   37.587    7.1716   11.884  0.6027 10.050  0.9863 1.834464       1.155884  
1 1 1 4  25 3  o 39.982  1.1476 590.690   33.631  601.449   39.600   562.848   63.702   40.284  1.3412 38.511  2.2668 1.772442       2.633797  
1 1 1 4  25 4  o 35.151  1.1924 456.936   30.721  456.936   30.721   0.0000    0.0000   35.151  1.1924 ?       ?      0.000000       1.192374  
1 1 1 4  25 5  o 25.781  0.7990 244.602   15.098  248.152   17.851   235.679   28.301   25.947  0.9386 25.120  1.5446 0.8274117      1.807420  
1 1 1 4  25 6  o 29.601  0.8952 322.809   19.423  325.255   22.800   316.340   37.081   29.684  1.0480 29.038  1.7504 0.6457329      2.040147  
1 1 1 4  25 7  o 17.062  0.6536 106.994   8.1736  108.005   9.9056   104.836   14.469   17.131  0.7889 16.793  1.1830 0.3377018      1.421943  
1 1 1 4  25 8  o 14.450  0.7734 77.058    8.1617  69.571    10.664   87.645    12.681   13.682  1.0719 15.355  1.1348 -1.672484      1.561029  
1 1 1 4  25 9  o 31.991  1.3712 380.104   32.151  390.148   47.655   371.712   43.558   32.097  2.0362 31.392  1.9021 0.7057686      2.786397  
1 1 1 4  25 10 o 17.718  0.7021 115.479   9.1183  119.533   11.245   107.695   15.580   18.011  0.8518 16.996  1.2596 1.014776       1.520636  
1 1 1 4  25 11 o 5.2618  1.2505 10.681    4.7518  10.243    8.2632   10.897    5.8082   5.3582  1.7909 5.3219  1.4497 0.3633070E-01  2.304102  
1 1 1 4  25 12 o 39.851  1.1862 589.050   34.647  568.602   48.174   610.962   49.867   38.914  1.6889 40.339  1.6866 -1.424858      2.386859  
1 1 1 4  25 13 o 22.073  0.8039 179.690   13.006  200.412   20.517   165.768   16.817   23.189  1.2113 21.118  1.0901 2.070509       1.629636  
1 1 1 4  25 14 o 19.894  0.7856 146.008   11.455  138.984   16.553   152.463   15.869   19.296  1.1760 20.243  1.0734 -0.9473381     1.592208  
1 1 1 4  25 15 o 3.1883  0.9335 3.8298    2.3211  5.8949    4.4305   3.0486    2.7250   4.0313  1.3098 2.9968  1.0283 1.034511       1.665172  
1 1 1 4  25 16 o 32.365  0.6990 386.239   16.582  379.823   27.162   390.050   20.936   31.924  1.1609 32.466  0.8798 -0.5423851     1.456584  
1 1 1 4  25 17 o 18.499  0.6194 126.017   8.3981  108.273   15.226   133.775   10.068   16.985  1.2314 19.043  0.7213 -2.058584      1.427125  
1 1 1 4  26 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  26 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  26 2  o 22.519  0.6961 186.542   11.489  208.267   14.462   149.373   18.917   23.776  0.8299 20.019  1.2962 3.756548       1.539115  
1 1 1 4  26 3  o 35.357  1.0249 461.895   26.561  472.102   31.382   436.118   49.872   35.692  1.1996 33.911  2.0156 1.781719       2.345523  
1 1 1 4  26 4  o 22.782  1.4117 193.889   23.456  0.0000    0.0000   193.889   23.456   ?       ?      22.782  1.4117 0.000000       1.411680  
1 1 1 4  26 5  o 26.372  0.8104 256.218   15.664  260.243   18.525   246.122   29.340   26.551  0.9519 25.617  1.5702 0.9344616      1.836170  
1 1 1 4  26 6  o 22.740  0.7404 190.369   12.341  194.558   14.758   180.628   22.503   22.968  0.8767 21.978  1.4042 0.9890728      1.655412  
1 1 1 4  26 7  o 13.374  0.6237 65.776    6.1138  64.292    7.4379   68.869    10.735   13.189  0.7728 13.597  1.0862 -0.4083071     1.333097  
1 1 1 4  26 8  o 32.466  0.9797 389.655   23.313  393.881   27.469   378.772   44.081   32.589  1.1500 31.576  1.9137 1.012598       2.232626  
1 1 1 4  26 9  o 4.0703  1.3348 5.9393    4.5979  6.3179    7.5558   5.7167    5.7942   4.5869  1.6965 4.1977  1.4949 0.3892145      2.261185  
1 1 1 4  26 10 o 4.4591  1.2764 7.5910    4.3839  6.7230    5.8703   8.6855    6.5917   4.4056  1.5093 4.8846  1.5981 -0.4789248     2.198156  
1 1 1 4  26 11 o 38.846  1.1572 561.506   32.947  559.509   47.069   563.424   46.135   38.463  1.6696 38.626  1.6296 -0.1626968     2.333022  
1 1 1 4  26 12 o 17.015  0.7328 106.809   9.1389  103.632   13.471   109.518   12.439   16.654  1.1099 17.155  0.9936 -0.5006027     1.489684  
1 1 1 4  26 13 o 13.390  0.7754 66.442    7.5770  68.567    11.793   64.948    9.8879   13.499  1.2045 13.182  1.0316 0.3176594      1.585923  
1 1 1 4  26 14 o 15.296  0.7750 86.684    8.6602  93.863    13.606   81.795    11.228   15.808  1.1829 14.792  1.0423 1.015525       1.576564  
1 1 1 4  26 15 o 12.020  1.4218 55.115    12.283  0.0000    0.0000   55.115    12.283   ?       ?      12.020  1.4218 0.000000       1.421753  
1 1 1 4  27 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  27 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  27 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  27 3  o 19.662  0.6318 142.276   9.1054  150.037   11.002   125.404   16.222   20.176  0.7440 18.319  1.2150 1.856102       1.424682  
1 1 1 4  27 4  o 18.528  0.6267 126.338   8.5106  124.907   9.9317   130.293   16.511   18.408  0.7361 18.671  1.2131 -0.2627430     1.418931  
1 1 1 4  27 5  o 14.594  0.7118 78.505    7.6143  78.505    7.6143   0.0000    0.0000   14.594  0.7118 ?       ?      0.000000       0.7118124 
1 1 1 4  27 6  o 15.269  0.6146 85.824    6.8778  83.971    8.1702   90.331    12.742   15.088  0.7388 15.544  1.1260 -0.4558592     1.346751  
1 1 1 4  27 7  o 9.9857  0.6474 36.887    4.7131  35.899    5.9741   38.515    7.6699   9.8193  0.8381 10.130  1.0481 -0.3107920     1.342014  
1 1 1 4  27 8  o 18.912  0.6912 131.909   9.5815  136.176   11.731   123.357   16.607   19.188  0.8341 18.117  1.2584 1.071373       1.509753  
1 1 1 4  27 9  o 20.584  0.7391 156.452   11.150  157.333   13.438   154.502   19.980   20.607  0.8897 20.234  1.3551 0.3729324      1.621020  
1 1 1 4  27 10 o 25.958  0.9979 250.517   18.987  250.517   18.987   0.0000    0.0000   25.958  0.9979 ?       ?      0.000000       0.9979121 
1 1 1 4  27 11 o 5.5830  1.1829 12.089    4.6900  14.590    6.3925   9.1727    6.9022   6.0949  1.4517 4.9810  1.6356 1.113866       2.186904  
1 1 1 4  27 12 o 16.304  0.7407 98.251    8.8514  98.599    13.705   98.002    11.594   16.195  1.1623 16.204  0.9808 -0.9227753E-02 1.520794  
1 1 1 4  28 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  28 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  28 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  28 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  28 4  o 1.7817  0.8095 -1.3839   2.3051  -0.6666   2.7441   -3.1034   4.2486   2.1065  0.9246 2.3414  1.0770 -0.2349081     1.419499  
1 1 1 4  28 5  o 9.2042  0.9957 31.886    6.6100  0.0000    0.0000   31.886    6.6100   ?       ?      9.2042  0.9957 0.000000       0.9956658 
1 1 1 4  28 6  o 13.279  0.5961 64.999    5.8017  70.191    7.2761   55.936    9.6135   13.762  0.7239 12.191  1.0872 1.570400       1.306186  
1 1 1 4  28 7  o 16.648  0.6421 102.274   7.8351  103.771   9.4970   99.084    13.864   16.743  0.7739 16.216  1.1744 0.5270939      1.406476  
1 1 1 4  28 8  o 17.168  0.6664 108.842   8.3855  113.799   10.369   99.470    14.257   17.524  0.8073 16.232  1.2069 1.291876       1.451997  
1 1 1 4  28 9  o 20.383  0.7324 153.647   10.942  151.883   12.991   157.954   20.303   20.226  0.8763 20.399  1.3658 -0.1722355     1.622738  
1 1 1 4  29 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  29 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  29 2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  29 3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 4  29 4  o 23.035  0.9948 198.092   16.796  198.092   16.796   0.0000    0.0000   23.035  0.9948 ?       ?      0.000000       0.9948087 
1 1 1 5  0  1  o 144.008 5.6792 7650.61   597.340 0.0000    0.0000   7650.61   597.340  144.008 5.6792 144.008 5.6792 0.000000       0.000000  
1 1 1 5  0  2  o 35.002  1.0069 450.123   25.783  473.789   38.025   429.983   35.077   35.866  1.4519 34.165  1.4062 -0.000000      0.000000  
1 1 1 5  0  3  o 82.510  2.3032 2501.49   139.041 2555.01   202.112  2453.39   191.578  83.274  3.3233 81.608  3.2141 -0.000000      0.000000  
1 1 1 5  0  4  o 327.548 9.1156 39556.55  2184.63 39657.96  4347.12  39522.29  2526.89  324.991 18.384 327.068 10.566 0.000000       0.000000  
1 1 1 5  0  5  o 151.014 4.1779 8382.24   461.639 8605.47   546.916  7829.10   860.913  152.935 4.8903 145.306 8.1419 -0.000000      0.000000  
1 1 1 5  0  6  o 476.845 15.346 84190.45  5351.14 75253.17  8266.68  90636.15  7020.43  446.646 25.440 493.311 19.485 0.000000       0.000000  
1 1 1 5  0  7  o 336.026 9.3032 41576.51  2287.35 42028.85  3274.99  41145.71  3196.06  337.029 13.305 333.497 13.121 0.000000       0.000000  
1 1 1 5  0  8  o 371.402 10.332 50822.70  2807.79 56613.69  4384.15  46795.67  3655.95  390.837 15.358 355.509 14.081 0.000000       0.000000  
1 1 1 5  0  9  o 149.361 4.1358 8198.75   451.988 8289.46   648.437  8113.04   630.362  149.968 5.9201 148.371 5.8167 -0.000000      0.000000  
1 1 1 5  0  10 o 158.794 4.4085 9268.34   512.217 10293.59  800.884  8558.70   666.310  167.090 6.5624 152.378 5.9869 0.000000       0.000000  
1 1 1 5  0  11 f 26.316  0.8515 254.600   16.386  251.903   22.741   257.512   23.631   26.135  1.1928 26.422  1.2262 -0.000000      0.000000  
1 1 1 5  0  12 o 281.412 9.0638 29225.87  1865.15 32911.84  3602.14  27875.64  2180.17  296.345 16.705 274.385 10.879 0.000000       0.000000  
1 1 1 5  0  13 o 187.486 7.4646 12987.88  1022.09 15870.47  1736.86  11460.83  1264.15  206.285 11.570 175.481 9.9006 0.000000       0.000000  
1 1 1 5  0  14 o 12.796  0.7155 60.573    6.6626  68.690    9.8057   53.613    9.0808   13.581  0.9974 11.957  1.0551 0.000000       0.000000  
1 1 1 5  0  15 o 126.456 3.5427 5882.04   327.778 5615.51   446.925  6192.29   482.177  123.326 4.9625 129.509 5.0975 0.000000       0.000000  
1 1 1 5  0  16 o 212.010 5.8823 16583.50  912.481 15588.41  1211.69  17887.12  1386.87  204.911 8.0963 219.372 8.6559 0.000000       0.000000  
1 1 1 5  0  17 o 167.101 4.6299 10289.35  566.078 10469.36  814.332  10121.01  787.454  168.081 6.6335 165.279 6.5233 -0.000000      0.000000  
1 1 1 5  0  18 o 103.194 2.8993 3917.09   218.905 3493.90   274.325  4658.96   363.215  97.297  3.8605 112.317 4.4277 0.000000       0.000000  
1 1 1 5  0  19 o 102.070 2.8473 3832.13   212.642 4138.55   323.783  3599.73   281.976  105.866 4.1876 98.752  3.9096 -0.000000      0.000000  
1 1 1 5  0  20 o 220.829 8.7576 18199.23  1412.43 18410.77  2020.62  17997.12  1975.12  220.001 12.626 217.585 12.479 -0.000000      0.000000  
1 1 1 5  0  21 o 63.925  2.0969 1503.74   98.008  1444.44   115.584  1655.47   184.885  62.588  2.5290 66.791  3.8048 -0.000000      0.000000  
1 1 1 5  0  22 o 12.716  0.8216 60.003    7.5840  62.654    11.597   58.022    10.025   12.893  1.2545 12.431  1.1212 -0.000000      0.000000  
1 1 1 5  0  23 o 51.351  1.7294 970.541   64.924  914.922   105.318  1004.63   82.454   49.646  2.9173 52.186  2.1641 0.000000       0.000000  
1 1 1 5  0  24 o 66.387  1.8821 1621.30   91.416  1614.97   128.742  1627.74   129.829  66.131  2.6659 66.391  2.6779 0.000000       0.000000  
1 1 1 5  0  25 o 96.871  3.8626 3483.17   273.264 3523.57   390.572  3444.44   382.462  96.788  5.5472 95.708  5.4934 0.000000       0.000000  
1 1 1 5  0  26 o 5.1019  1.7398 12.379    5.8372  6.1907    8.3550   18.279    8.1585   3.5991  2.0429 6.2714  2.0120 -0.000000      0.000000  
1 1 1 5  0  27 o 28.507  1.0975 299.472   22.855  265.619   36.489   321.327   29.318   26.682  1.8875 29.492  1.3629 -0.000000      0.000000  
1 1 1 5  0  28 o 83.761  2.3729 2591.76   145.416 2859.89   224.780  2398.78   190.696  87.596  3.5138 80.290  3.2526 0.000000       0.000000  
1 1 1 5  0  29 o 22.535  0.8500 187.047   13.994  204.966   20.647   171.824   19.031   23.539  1.2039 21.533  1.2146 0.000000       0.000000  
1 1 1 5  0  30 o 75.443  2.1604 2103.40   119.239 2428.96   192.561  1900.93   151.856  80.670  3.2689 71.462  2.9102 -0.000000      0.000000  
1 1 1 5  0  31 o 79.769  2.2772 2357.26   132.900 2453.98   194.865  2273.16   181.720  80.922  3.2978 77.923  3.1939 0.000000       0.000000  
1 1 1 5  0  32 o 5.8785  2.4643 18.022    10.660  14.271    15.738   21.201    14.489   5.2310  2.8652 6.2608  2.8795 0.000000       0.000000  
1 1 1 5  1  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 5  1  1  o 145.640 4.0322 7788.66   430.434 7433.41   577.937  8231.17   645.024  142.156 5.5467 149.555 5.8843 -7.399078      8.086458  
1 1 1 5  1  2  o 94.749  1.8707 3291.33   129.913 3305.26   185.846  3278.01   181.674  94.929  2.6710 94.539  2.6218 0.3907852      3.742746  
1 1 1 5  1  3  o 69.813  1.4735 1786.56   75.396  1903.72   121.728  1713.63   96.036   72.054  2.3049 68.368  1.9165 3.686317       2.997566  
1 1 1 5  1  4  o 211.594 4.1277 16432.57  640.171 17208.25  948.758  15784.25  867.382  216.353 5.9829 207.237 5.7104 9.116074       8.270628  
1 1 1 5  1  5  o 120.605 2.5324 5333.18   223.865 5130.59   283.988  5665.69   363.830  118.274 3.2759 124.266 3.9945 -5.991371      5.166018  
1 1 1 5  1  6  o 473.856 9.3307 82725.41  3240.70 77134.52  4966.21  86871.72  4276.77  455.719 14.868 484.738 12.037 -29.01941      19.12977  
1 1 1 5  1  7  o 370.775 7.2337 50530.34  1965.86 49605.85  2726.86  51530.80  2836.68  366.846 10.141 373.851 10.352 -7.004669      14.49189  
1 1 1 5  1  8  o 270.024 5.2770 26763.86  1044.41 26901.09  1482.61  26628.67  1471.49  270.498 7.4779 269.127 7.4597 1.371002       10.56249  
1 1 1 5  1  9  o 329.987 6.4517 40008.53  1560.46 41313.13  2285.87  38869.97  2135.46  334.863 9.3133 324.873 8.9680 9.989868       12.92914  
1 1 1 5  1  10 o 105.040 2.1964 4044.86   169.100 4302.27   274.190  3886.86   214.817  108.305 3.4540 102.957 2.8466 5.348183       4.475870  
1 1 1 5  1  11 o 231.180 4.5229 19617.04  766.390 19236.06  1062.00  20031.04  1107.08  228.751 6.3341 233.414 6.4710 -4.663330      9.055056  
1 1 1 5  1  12 o 49.770  1.1664 907.904   42.548  904.383   59.839   911.505   60.509   49.670  1.6437 49.865  1.6556 -0.1950989     2.332918  
1 1 1 5  1  13 o 79.298  3.1139 2307.31   180.986 2362.94   261.940  2256.50   250.358  80.071  4.4812 78.250  4.3827 1.820236       6.268130  
1 1 1 5  1  14 o 231.523 4.5411 19711.66  770.609 18820.86  1042.16  20786.27  1144.64  225.875 6.2949 237.304 6.5809 -11.42882      9.106755  
1 1 1 5  1  15 o 142.145 2.9835 7419.07   310.843 7999.67   510.011  7075.93   392.082  147.390 4.7210 138.730 3.8559 8.659866       6.095540  
1 1 1 5  1  16 o 87.235  1.7231 2791.02   110.173 3000.52   166.828  2628.98   146.719  90.410  2.5175 84.636  2.3651 5.774323       3.454218  
1 1 1 5  1  17 o 108.650 2.1417 4332.20   170.557 4502.07   250.780  4186.00   232.648  110.677 3.0914 106.733 2.9739 3.944427       4.289574  
1 1 1 5  1  18 o 45.376  0.9369 754.795   31.160  767.567   44.989   743.018   43.199   45.752  1.3416 45.015  1.3093 0.7369728      1.874588  
1 1 1 5  1  19 f 181.139 3.8214 12083.46  507.362 11397.23  728.274  12730.60  707.224  175.412 5.6644 185.543 5.2003 -10.13174      7.689547  
1 1 1 5  1  20 f 84.029  1.9160 2591.08   118.009 2628.09   168.712  2555.63   165.125  84.570  2.7217 83.398  2.7013 1.172310       3.834725  
1 1 1 5  1  21 o 159.321 3.6340 9352.34   424.361 9641.63   613.716  9087.32   587.422  161.320 5.1904 156.638 5.1165 4.681931       7.288240  
1 1 1 5  1  22 o 37.776  0.8073 523.132   22.352  487.793   29.633   569.779   34.046   36.472  1.1085 39.417  1.1784 -2.944538      1.617859  
1 1 1 5  1  23 o 72.666  1.4598 1937.71   77.749  1918.48   107.812  1958.56   112.229  72.260  2.0356 73.005  2.0974 -0.7451553     2.922753  
1 1 1 5  1  24 o 43.769  0.9116 702.533   29.244  722.822   42.280   683.924   40.492   44.381  1.2998 43.171  1.2796 1.209778       1.823967  
1 1 1 5  1  25 o 19.441  0.5974 138.561   8.5121  147.367   11.759   128.865   12.338   20.046  0.8003 18.743  0.8981 1.302267       1.202934  
1 1 1 5  1  26 o 26.013  0.6712 248.153   12.797  242.620   19.111   252.649   17.229   25.710  1.0141 26.241  0.8958 -0.5303802     1.353097  
1 1 1 5  1  27 o 123.689 2.8742 5690.54   260.576 5968.26   390.518  5467.66   349.848  125.586 4.2425 120.446 3.9628 5.139809       5.805413  
1 1 1 5  1  28 o 21.121  0.5867 163.600   9.0828  163.117   12.859   164.081   12.831   21.083  0.8322 21.145  0.8279 -0.6239128E-01 1.173835  
1 1 1 5  1  29 o 39.404  0.9072 570.071   26.200  572.544   34.827   566.845   39.767   39.462  1.2041 39.245  1.3825 0.2171211      1.833350  
1 1 1 5  1  30 f 43.310  0.9864 689.151   31.314  671.902   46.744   703.195   42.177   42.696  1.4937 43.707  1.3166 -1.010715      1.991093  
1 1 1 5  1  31 o 29.512  0.7474 319.765   16.166  345.174   26.008   303.768   20.637   30.622  1.1587 28.745  0.9795 1.877344       1.517261  
1 1 1 5  1  32 o 54.913  1.6262 1116.60   65.453  1198.91   98.793   1052.21   87.382   56.568  2.3827 53.058  2.2469 3.509666       3.275073  
1 1 1 5  2  0  o 34.528  1.4061 439.136   35.452  439.136   35.452   0.0000    0.0000   34.528  1.4061 34.528  1.4061 -0.000000      0.000000  
1 1 1 5  2  1  o 70.302  2.7504 1812.81   141.726 1815.56   200.779  1810.09   200.084  70.215  3.9169 70.110  3.9092 0.1055984      5.533873  
1 1 1 5  2  2  o 113.376 2.5692 4714.11   213.501 5201.02   407.709  4530.15   250.610  118.991 4.6747 111.125 3.0768 7.865700       5.596438  
1 1 1 5  2  3  o 169.204 3.3153 10503.21  411.159 10044.43  558.590  11045.67  607.405  165.387 4.6080 173.421 4.7785 -8.034149      6.638363  
1 1 1 5  2  4  o 149.739 2.9323 8222.88   321.827 8123.66   403.839  8395.54   532.747  148.803 3.7027 151.215 4.8067 -2.412354      6.067469  
1 1 1 5  2  5  o 297.948 5.8166 32608.13  1270.24 31203.04  1717.01  34306.83  1887.91  291.153 8.0458 305.224 8.4388 -14.07062      11.65973  
1 1 1 5  2  6  f 245.062 4.8070 22039.28  863.439 24698.91  1566.39  20878.40  1034.86  259.084 8.2486 238.436 5.9214 20.64726       10.15393  
1 1 1 5  2  7  f 313.708 6.1187 36142.40  1406.92 34784.41  1915.16  37734.45  2073.64  307.457 8.4984 320.177 8.8362 -12.71970      12.25973  
1 1 1 5  2  8  o 297.231 5.8537 32442.07  1275.27 30101.07  1669.30  35723.44  1976.34  286.062 7.9614 311.530 8.6553 -25.46802      11.76003  
1 1 1 5  2  9  f 275.841 5.7599 27942.74  1164.55 27423.23  1509.50  28706.52  1830.31  273.063 7.5421 279.178 8.9446 -6.114929      11.69995  
1 1 1 5  2  10 o 263.011 5.1226 25397.00  987.519 25083.34  1377.92  25728.23  1415.99  261.152 7.1986 264.474 7.3046 -3.321838      10.25559  
1 1 1 5  2  11 o 210.762 4.1180 16301.29  636.148 15487.86  854.525  17312.52  952.771  205.311 5.6785 217.037 5.9893 -11.72598      8.253279  
1 1 1 5  2  12 o 259.937 5.8885 24849.39  1121.90 24787.94  1581.62  24911.62  1591.65  259.161 8.3263 259.799 8.3585 -0.6387329     11.79797  
1 1 1 5  2  13 o 78.671  2.1917 2269.62   126.379 2135.58   168.394  2442.49   191.231  76.290  3.0114 81.582  3.1980 -5.291687      4.392737  
1 1 1 5  2  14 o 19.066  0.5940 133.234   8.3014  143.317   10.475   116.208   13.611   19.774  0.7227 17.774  1.0494 2.000078       1.274225  
1 1 1 5  2  15 o 111.225 2.3401 4539.31   190.777 4974.94   274.801  4134.02   265.060  116.377 3.2216 106.071 3.4093 10.30535       4.690642  
1 1 1 5  2  16 o 54.370  1.1765 1083.76   46.884  956.178   63.349   1238.28   69.715   51.060  1.6927 58.107  1.6369 -7.047310      2.354688  
1 1 1 5  2  17 o 88.823  1.7670 2894.13   115.039 3063.98   172.783  2758.88   154.181  91.344  2.5807 86.687  2.4266 4.656906       3.542389  
1 1 1 5  2  18 o 79.727  1.5808 2331.39   92.375  2507.17   139.789  2195.12   123.078  82.641  2.3078 77.335  2.1713 5.306068       3.168689  
1 1 1 5  2  19 o 82.027  1.7458 2468.35   104.964 2314.72   129.600  2761.23   178.946  79.407  2.2267 86.685  2.8164 -7.277817      3.590322  
1 1 1 5  2  20 o 198.754 6.4119 14695.25  934.085 15104.14  1175.21  13993.78  1539.26  200.679 7.9898 190.909 11.048 9.770340       13.63393  
1 1 1 5  2  21 o 136.999 3.1311 6906.20   314.408 7955.21   505.385  6243.87   401.581  146.665 4.7013 130.052 4.2129 16.61372       6.312690  
1 1 1 5  2  22 o 89.948  1.7850 2969.78   117.680 2802.25   156.209  3189.65   178.950  87.315  2.4408 93.134  2.6215 -5.819138      3.581860  
1 1 1 5  2  23 f 50.089  1.0258 920.083   37.660  898.087   51.984   944.377   54.633   49.471  1.4336 50.728  1.4693 -1.257259      2.052855  
1 1 1 5  2  24 o 84.784  1.6911 2640.58   105.090 2745.77   153.042  2546.74   144.560  86.350  2.4181 83.170  2.3714 3.180832       3.386804  
1 1 1 5  2  25 o 84.417  1.6846 2620.05   104.235 2462.05   138.903  2823.71   157.700  81.715  2.3192 87.478  2.4595 -5.763023      3.380503  
1 1 1 5  2  26 o 79.736  1.8378 2341.87   107.409 2556.90   164.435  2181.84   141.852  83.074  2.7005 76.793  2.5202 6.280609       3.693807  
1 1 1 5  2  27 o 80.416  2.2707 2392.48   133.838 2445.84   193.368  2343.41   185.432  80.903  3.2609 79.222  3.1934 1.680969       4.564147  
1 1 1 5  2  28 o 44.812  1.0854 737.676   35.650  765.073   52.251   713.816   48.762   45.578  1.5641 44.032  1.5109 1.545990       2.174652  
1 1 1 5  2  29 o 15.114  0.6360 83.796    7.0459  91.002    9.5517   75.195    10.436   15.724  0.8317 14.273  1.0039 1.450902       1.303724  
1 1 1 5  2  30 o 23.857  0.6156 208.792   10.765  197.714   14.733   221.484   15.769   23.204  0.8662 24.559  0.8760 -1.354677      1.231983  
1 1 1 5  2  31 o 49.578  1.1915 905.066   43.296  856.449   50.401   1041.97   84.577   48.178  1.4273 52.902  2.1812 -4.723930      2.606676  
1 1 1 5  2  32 o 9.2252  1.0902 31.768    7.2294  44.941    11.034   21.861    9.5693   10.942  1.4085 7.5283  1.7649 3.414196       2.258035  
1 1 1 5  3  0  o 133.002 5.2156 6521.56   506.664 6521.56   506.664  0.0000    0.0000   133.002 5.2156 133.002 5.2156 -0.000000      0.000000  
1 1 1 5  3  1  o 332.102 9.1878 40757.01  2236.46 39585.74  4339.21  41180.70  2609.81  322.819 18.415 333.339 10.682 -10.52014      21.28887  
1 1 1 5  3  2  o 346.175 7.8568 44167.88  1993.53 41751.91  3299.20  45557.27  2501.93  334.751 13.446 351.049 9.7236 -16.29840      16.59378  
1 1 1 5  3  3  o 332.510 6.5316 40661.57  1591.86 39063.05  2158.45  42567.87  2357.11  325.385 9.0503 339.560 9.4707 -14.17542      13.09970  
1 1 1 5  3  4  o 193.304 3.7898 13708.13  536.955 14387.00  710.206  12802.27  820.393  197.965 4.8946 186.664 5.9963 11.30075       7.740282  
1 1 1 5  3  5  o 338.408 6.6258 42083.73  1643.45 43309.57  2395.16  40993.13  2259.17  342.803 9.5326 333.566 9.2403 9.236938       13.27604  
1 1 1 5  3  6  o 78.918  1.5559 2282.77   90.001  2123.90   136.200  2405.91   119.913  76.114  2.4413 81.015  2.0194 -4.900124      3.168295  
1 1 1 5  3  7  o 174.856 3.4111 11212.48  437.180 11005.52  609.550  11431.72  627.367  173.178 4.8022 176.497 4.8496 -3.319031      6.824889  
1 1 1 5  3  8  o 154.890 3.0475 8797.14   345.977 8971.00   494.461  8630.38   484.269  156.369 4.3142 153.372 4.3078 2.997070       6.096707  
1 1 1 5  3  9  o 279.712 5.4692 28728.78  1121.28 28928.70  1602.77  28537.13  1569.22  280.404 7.7984 278.515 7.6870 1.888641       10.95010  
1 1 1 5  3  10 o 220.959 4.3163 17916.82  699.043 18719.68  1030.29  17231.96  951.584  225.691 6.2282 216.560 5.9950 9.131607       8.644701  
1 1 1 5  3  11 o 182.355 3.5464 12199.83  474.009 12184.62  669.621  12215.09  671.080  182.143 5.0157 182.370 5.0204 -0.2272186     7.096633  
1 1 1 5  3  12 o 190.218 4.3047 13287.48  600.170 12985.26  824.357  13628.35  875.487  187.863 5.9868 192.431 6.2072 -4.567307      8.623834  
1 1 1 5  3  13 o 193.990 4.3823 13829.25  623.105 13829.63  877.099  13828.86  885.367  193.732 6.1768 193.716 6.2356 0.1544189E-01  8.777004  
1 1 1 5  3  14 o 110.967 2.5111 4518.06   204.237 4383.70   279.694  4671.55   298.934  109.245 3.4930 112.765 3.6167 -3.520409      5.028121  
1 1 1 5  3  15 o 78.595  1.8061 2265.55   104.043 2148.86   121.105  2594.36   203.291  76.531  2.1590 84.029  3.3007 -7.497749      3.944095  
1 1 1 5  3  16 o 100.829 1.9927 3729.92   147.270 3992.23   221.158  3520.94   197.402  104.251 2.8943 97.915  2.7505 6.335770       3.992791  
1 1 1 5  3  17 o 37.770  0.8000 522.919   22.148  512.952   30.975   533.344   31.680   37.405  1.1298 38.141  1.1332 -0.7362022     1.600199  
1 1 1 5  3  18 o 147.682 2.9055 8015.05   314.509 8092.56   448.184  7939.84   441.460  148.186 4.1264 146.785 4.1032 1.400406       5.819244  
1 1 1 5  3  19 o 27.861  0.6388 284.505   13.045  280.123   18.189   289.148   18.720   27.643  0.8977 28.085  0.9094 -0.4416752     1.277869  
1 1 1 5  3  20 o 33.788  0.9270 418.511   22.957  443.137   37.702   403.999   28.941   34.759  1.4799 33.193  1.1896 1.565571       1.898703  
1 1 1 5  3  21 o 40.392  1.3914 598.410   41.194  526.287   64.028   649.350   53.809   37.781  2.3234 42.066  1.7452 -4.285061      2.905823  
1 1 1 5  3  22 o 52.333  1.0730 1004.31   41.160  1017.81   58.621   991.187   57.806   52.668  1.5185 51.975  1.5174 0.6932259      2.146737  
1 1 1 5  3  23 o 47.213  0.9710 817.429   33.602  820.660   47.615   814.223   47.426   47.292  1.3737 47.106  1.3736 0.1858177      1.942613  
1 1 1 5  3  24 o 41.799  1.0207 640.883   31.272  614.312   43.037   670.604   45.517   40.905  1.4354 42.738  1.4531 -1.832161      2.042507  
1 1 1 5  3  25 o 64.488  1.4980 1528.17   70.808  1453.40   95.302   1620.31   105.794  62.815  2.0699 66.306  2.1768 -3.491138      3.003883  
1 1 1 5  3  26 o 64.213  1.8289 1519.03   86.079  1470.65   118.039  1573.98   125.799  63.027  2.5552 65.183  2.6331 -2.156353      3.669045  
1 1 1 5  3  27 o 55.370  1.6122 1129.12   65.432  1019.05   83.491   1304.33   105.341  52.498  2.1698 59.329  2.4224 -6.830795      3.252108  
1 1 1 5  3  28 f 12.009  0.6293 53.045    5.5203  44.526    7.6784   62.159    7.9420   10.970  0.9648 12.987  0.8388 -2.017313      1.278444  
1 1 1 5  3  29 f 41.771  0.8870 640.606   27.156  625.154   37.661   657.341   39.195   41.228  1.2463 42.274  1.2650 -1.045761      1.775761  
1 1 1 5  3  30 o 14.037  0.5955 72.276    6.1269  74.010    8.7642   70.619    8.5685   14.172  0.8476 13.842  0.8486 0.3297882      1.199424  
1 1 1 5  3  31 o 24.653  0.7335 223.153   13.254  243.867   19.740   206.149   17.885   25.748  1.0460 23.674  1.0307 2.073406       1.468459  
1 1 1 5  3  32 o 24.806  0.8152 226.129   14.821  249.560   20.188   198.734   21.829   26.036  1.0579 23.173  1.2903 2.862963       1.668554  
1 1 1 5  4  0  o 88.553  3.4849 2888.56   225.395 2888.56   225.395  0.0000    0.0000   88.553  3.4849 88.553  3.4849 -0.000000      0.000000  
1 1 1 5  4  1  o 400.338 9.0831 59131.20  2665.28 54916.93  4296.96  61766.46  3397.92  383.467 15.288 408.396 11.351 -24.92859      19.04154  
1 1 1 5  4  2  o 159.223 3.6063 9300.26   420.866 9853.93   776.187  9069.68   500.892  163.714 6.4685 157.202 4.3472 6.512192       7.793503  
1 1 1 5  4  3  o 166.643 3.2524 10184.62  397.255 10282.72  507.590  10029.54  638.174  167.405 4.1368 165.270 5.2682 2.135086       6.698293  
1 1 1 5  4  4  o 305.312 5.9904 34238.69  1340.53 35361.57  1751.36  32650.12  2083.11  310.049 7.7066 297.629 9.5490 12.42029       12.27088  
1 1 1 5  4  5  o 290.650 5.6662 31017.34  1207.10 31327.84  1727.09  30720.81  1687.79  291.819 8.0746 288.992 7.9680 2.826721       11.34409  
1 1 1 5  4  6  o 90.570  1.7716 3006.73   117.603 3052.10   194.630  2980.63   147.594  91.236  2.9105 90.171  2.2332 1.065506       3.668482  
1 1 1 5  4  7  o 228.474 4.4635 19153.26  747.471 18828.73  1199.31  19359.39  955.818  226.311 7.2301 229.615 5.6793 -3.304459      9.193972  
1 1 1 5  4  8  o 461.736 9.0215 78537.85  3053.19 74003.17  4070.51  84370.87  4616.59  447.178 12.419 477.176 13.200 -29.99765      18.12352  
1 1 1 5  4  9  o 109.318 2.1445 4380.98   171.832 4344.89   240.449  4418.66   245.650  108.850 3.0138 109.769 3.0532 -0.9192581     4.290109  
1 1 1 5  4  10 o 264.540 5.1718 25700.40  1002.81 24357.42  1344.61  27383.60  1505.32  257.295 7.1299 272.748 7.5299 -15.45331      10.36989  
1 1 1 5  4  11 o 245.664 4.8099 22166.36  866.075 22635.78  1253.64  21737.77  1197.89  247.963 6.8977 243.022 6.7250 4.941208       9.633471  
1 1 1 5  4  12 o 58.231  1.6399 1243.09   69.993  1291.68   102.057  1199.95   96.174   59.348  2.3462 57.202  2.2938 2.145409       3.281185  
1 1 1 5  4  13 o 317.890 7.1922 37337.46  1675.79 35674.85  2261.76  39361.09  2495.26  309.577 9.9677 324.915 10.478 -15.33734      14.46158  
1 1 1 5  4  14 o 93.407  2.1307 3200.45   145.877 3517.23   226.457  2975.77   190.718  97.866  3.1570 90.033  2.8901 7.832710       4.280089  
1 1 1 5  4  15 o 180.949 3.5724 12038.11  473.806 11513.17  644.723  12654.53  698.648  176.694 4.9782 185.206 5.1466 -8.511780      7.160320  
1 1 1 5  4  16 o 124.330 2.4354 5674.92   221.934 5795.82   320.458  5563.50   307.657  125.534 3.4828 123.001 3.4125 2.532951       4.875992  
1 1 1 5  4  17 o 135.538 2.8596 6750.12   284.082 7560.44   480.341  6314.23   352.298  143.151 4.5780 130.978 3.6697 12.17268       5.867247  
1 1 1 5  4  18 o 48.193  0.9796 851.448   34.605  877.111   50.289   828.369   47.690   48.906  1.4029 47.528  1.3690 1.377544       1.960192  
1 1 1 5  4  19 o 140.308 2.7459 7233.81   282.394 6803.18   375.582  7793.88   428.325  135.908 3.7703 145.419 4.0186 -9.510223      5.510379  
1 1 1 5  4  20 o 151.507 4.8640 8490.93   540.137 8707.11   958.233  8390.25   653.924  151.685 8.6547 150.265 5.9373 1.419724       10.49548  
1 1 1 5  4  21 o 76.049  1.9061 2122.95   106.251 2118.64   136.952  2129.45   168.398  75.932  2.4607 76.074  3.0201 -0.1421051     3.895659  
1 1 1 5  4  22 o 94.623  1.8687 3287.60   129.606 3177.99   176.919  3414.56   190.403  92.949  2.5969 96.332  2.6966 -3.383507      3.743741  
1 1 1 5  4  23 f 97.187  1.9272 3470.52   137.285 3980.20   220.423  3147.51   175.475  103.911 2.8941 92.458  2.5893 11.45292       3.883358  
1 1 1 5  4  24 o 94.135  1.8632 3258.13   128.556 3226.72   180.630  3290.37   183.005  93.528  2.6349 94.444  2.6437 -0.9159393     3.732517  
1 1 1 5  4  25 o 42.439  0.8921 660.729   27.749  699.314   41.125   628.479   37.597   43.637  1.2858 41.371  1.2399 2.265995       1.786200  
1 1 1 5  4  26 o 42.547  1.1389 664.798   35.518  618.205   51.931   705.749   48.685   40.974  1.7292 43.803  1.5164 -2.829208      2.299913  
1 1 1 5  4  27 f 54.645  1.4192 1098.65   56.841  1128.28   75.287   1059.37   86.683   55.300  1.8574 53.511  2.2101 1.789478       2.886987  
1 1 1 5  4  28 o 36.927  0.8074 500.431   21.854  518.089   31.592   484.226   30.264   37.546  1.1480 36.299  1.1375 1.246834       1.616082  
1 1 1 5  4  29 o 44.901  0.9427 740.415   31.024  738.690   43.692   742.171   44.059   44.802  1.3305 44.906  1.3386 -0.1043053     1.887354  
1 1 1 5  4  30 o 38.563  0.8428 546.088   23.823  582.479   35.563   516.466   32.085   39.784  1.2196 37.469  1.1683 2.315750       1.688864  
1 1 1 5  4  31 o 40.003  1.2333 589.676   36.160  644.797   54.264   545.646   48.498   41.709  1.7750 38.381  1.7240 3.328331       2.474414  
1 1 1 5  4  32 f 56.671  1.3476 1186.03   55.977  1150.04   76.864   1226.66   81.682   55.602  1.8860 57.399  1.9415 -1.796879      2.706781  
1 1 1 5  5  0  o 252.777 9.9214 23602.77  1831.76 0.0000    0.0000   23602.77  1831.76  252.777 9.9214 252.777 9.9214 0.000000       0.000000  
1 1 1 5  5  1  o 328.967 7.4800 39808.95  1803.58 43824.63  3408.42  38247.26  2125.55  343.704 13.530 322.180 9.0010 21.52438       16.25024  
1 1 1 5  5  2  o 386.080 8.7252 54893.49  2469.07 52851.08  4117.71  56040.08  3085.24  377.079 14.899 389.587 10.804 -12.50815      18.40389  
1 1 1 5  5  3  o 402.334 8.4489 59583.43  2491.54 58697.23  3260.26  60827.68  3863.11  398.683 11.157 405.303 13.004 -6.619354      17.13417  
1 1 1 5  5  4  o 38.863  0.7910 553.535   22.532  527.451   27.383   608.222   39.649   37.936  0.9848 40.736  1.3279 -2.800297      1.653228  
1 1 1 5  5  5  o 166.495 3.2793 10165.54  400.189 10317.02  570.670  10018.98  561.349  167.678 4.6433 165.239 4.6349 2.439392       6.560695  
1 1 1 5  5  6  o 440.492 8.6518 71432.63  2793.34 74198.80  4754.02  69974.05  3452.10  447.112 14.507 435.418 10.817 11.69421       18.09534  
1 1 1 5  5  7  f 245.133 4.8233 22054.51  866.606 22293.83  1433.63  21916.72  1087.86  246.146 7.9462 244.259 6.0763 1.887085       10.00322  
1 1 1 5  5  8  o 117.816 2.3028 5088.84   198.861 5021.32   276.619  5161.05   286.083  117.012 3.2253 118.627 3.2902 -1.615219      4.607416  
1 1 1 5  5  9  o 333.474 6.5331 40885.90  1596.84 39204.52  2167.35  42882.30  2361.68  326.061 9.0688 340.921 9.4512 -14.86057      13.09839  
1 1 1 5  5  10 o 267.216 5.2142 26230.99  1021.25 26070.13  1437.55  26394.90  1451.07  266.079 7.3711 267.727 7.3946 -1.648163      10.44099  
1 1 1 5  5  11 o 374.357 7.3129 51663.65  2006.59 52229.77  2868.78  51121.39  2807.69  375.263 10.430 371.307 10.317 3.955353       14.67020  
1 1 1 5  5  12 f 65.609  1.6569 1578.12   79.676  1797.67   141.027  1475.19   96.564   70.000  2.7487 63.426  2.0771 6.573997       3.445253  
1 1 1 5  5  13 o 29.869  0.7002 326.997   15.329  342.245   20.954   309.444   22.482   30.557  0.9356 29.055  1.0557 1.501780       1.410609  
1 1 1 5  5  14 o 167.852 4.2012 10367.16  516.870 10378.82  674.264  10350.53  804.891  167.708 5.4852 167.232 6.5666 0.4767914      8.556132  
1 1 1 5  5  15 o 213.472 5.3182 16828.45  832.120 17401.58  1351.81  16478.78  1055.87  215.782 8.5471 210.720 6.8363 5.061890       10.94478  
1 1 1 5  5  16 o 23.760  0.8162 206.936   14.215  223.660   21.301   193.507   19.087   24.699  1.1766 22.974  1.1335 1.724812       1.633798  
1 1 1 5  5  17 o 136.980 2.6941 6892.94   270.485 6684.75   372.585  7124.94   393.301  134.740 3.7727 139.090 3.8579 -4.350662      5.395935  
1 1 1 5  5  18 o 62.094  1.2401 1413.79   56.440  1432.96   80.707   1395.43   78.959   62.497  1.7619 61.674  1.7467 0.8232841      2.480961  
1 1 1 5  5  19 o 43.131  1.0281 682.014   32.502  658.779   44.561   708.426   47.511   42.382  1.4345 43.949  1.4749 -1.567039      2.057441  
1 1 1 5  5  20 o 16.157  0.5426 95.679    6.4262  99.636    9.2840   92.039    8.9040   16.487  0.7683 15.846  0.7667 0.6409960      1.085366  
1 1 1 5  5  21 o 19.441  0.7053 138.550   10.050  147.906   17.141   133.649   12.406   20.049  1.1715 19.093  0.8865 0.9555645      1.469131  
1 1 1 5  5  22 o 193.822 3.8393 13890.17  545.428 14891.83  824.287  13110.02  727.459  199.676 5.6321 187.556 5.2917 12.11913       7.728071  
1 1 1 5  5  23 o 39.252  0.8287 564.929   23.842  560.931   33.588   568.989   33.847   39.102  1.1719 39.382  1.1726 -0.2798653     1.657822  
1 1 1 5  5  24 o 35.362  0.7676 458.549   19.895  473.868   28.977   444.889   27.364   35.936  1.1001 34.821  1.0721 1.115063       1.536140  
1 1 1 5  5  25 o 60.431  1.3092 1341.56   57.989  1508.38   98.386   1252.76   71.783   63.959  2.0987 58.353  1.6784 5.606812       2.687254  
1 1 1 5  5  26 o 56.371  1.2342 1167.59   50.995  1222.71   80.588   1130.78   65.857   57.583  1.9094 55.423  1.6212 2.159447       2.504791  
1 1 1 5  5  27 o 26.947  0.7443 266.422   14.701  284.503   21.725   251.150   19.967   27.831  1.0650 26.150  1.0417 1.680889       1.489807  
1 1 1 5  5  28 o 40.295  0.8664 596.040   25.588  667.018   39.511   544.764   33.582   42.586  1.2658 38.494  1.1902 4.092182       1.737498  
1 1 1 5  5  29 o 36.932  0.8090 500.684   21.900  494.455   30.670   507.163   31.282   36.673  1.1410 37.140  1.1491 -0.4674492     1.619377  
1 1 1 5  5  30 o 36.156  0.7947 479.981   21.060  507.235   31.157   457.057   28.575   37.131  1.1448 35.251  1.1059 1.879883       1.591775  
1 1 1 5  5  31 o 44.657  1.0936 734.188   35.795  856.194   57.525   657.099   45.726   48.092  1.6319 42.169  1.4794 5.923367       2.202675  
1 1 1 5  5  32 o 22.807  0.6599 190.994   11.032  178.457   15.982   202.404   15.247   22.020  0.9902 23.461  0.8866 -1.440779      1.329176  
1 1 1 5  6  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 5  6  1  o 205.623 4.6595 15515.38  702.248 15662.78  1226.51  15443.50  856.541  206.323 8.1104 205.079 5.6983 1.243484       9.912109  
1 1 1 5  6  2  f 355.655 8.0390 46536.69  2095.61 42212.55  3280.35  49518.21  2723.89  337.606 13.257 366.452 10.141 -28.84555      16.69072  
1 1 1 5  6  3  o 100.059 1.9562 3669.95   143.465 3652.53   180.931  3699.45   235.450  99.814  2.4731 100.441 3.1982 -0.6266098     4.042866  
1 1 1 5  6  4  o 319.240 6.2080 37436.98  1452.61 37191.46  1826.79  37859.19  2395.54  317.971 7.8383 320.400 10.201 -2.428802      12.86441  
1 1 1 5  6  5  o 101.389 2.1201 3768.41   157.552 3549.25   227.282  3971.14   218.595  98.380  3.1519 104.069 2.8658 -5.688614      4.259958  
1 1 1 5  6  6  o 239.480 4.6605 21047.86  818.060 20981.67  1330.64  21088.08  1037.23  238.822 7.6016 239.606 5.9061 -0.7838898     9.626311  
1 1 1 5  6  7  o 202.995 3.9429 15117.72  586.648 15042.58  953.477  15163.50  744.180  202.309 6.4300 203.236 4.9957 -0.9264221     8.142638  
1 1 1 5  6  8  o 295.028 5.7666 31979.14  1246.98 34683.09  2200.81  30700.63  1513.34  306.524 9.7957 288.876 7.1473 17.64801       12.12605  
1 1 1 5  6  9  o 257.526 5.0128 24357.11  946.204 24289.66  1333.35  24425.54  1342.97  256.894 7.0812 257.607 7.1126 -0.7126770     10.03658  
1 1 1 5  6  10 o 301.969 6.8221 33580.68  1509.94 32580.10  2079.89  34695.65  2195.56  296.741 9.5627 306.156 9.7841 -9.414612      13.68119  
1 1 1 5  6  11 o 234.226 7.5701 20257.83  1299.62 18705.36  2057.45  21288.51  1676.40  223.252 12.625 239.581 9.5465 -16.32881      15.82817  
1 1 1 5  6  12 o 70.773  1.6136 1836.41   83.703  1763.72   113.588  1922.78   123.820  69.344  2.2348 72.401  2.3333 -3.056641      3.230887  
1 1 1 5  6  13 o 118.376 2.3306 5141.34   202.213 4928.49   273.999  5395.92   299.666  115.839 3.2271 121.196 3.3734 -5.356476      4.668427  
1 1 1 5  6  14 o 100.157 2.7769 3683.64   203.860 3582.74   281.055  3795.67   296.138  98.683  3.8857 101.563 3.9781 -2.880669      5.560945  
1 1 1 5  6  15 o 12.836  0.5018 60.387    4.7211  73.983    7.1533   49.895    6.2840   14.207  0.6869 11.644  0.7402 2.563519       1.009812  
1 1 1 5  6  16 o 109.958 2.1544 4437.79   173.630 4424.31   244.455  4451.51   246.661  109.709 3.0400 110.044 3.0581 -0.3348236     4.312056  
1 1 1 5  6  17 o 31.924  0.6954 373.568   16.271  404.183   24.486   349.359   21.774   33.204  1.0061 30.870  0.9623 2.333458       1.392219  
1 1 1 5  6  18 o 38.610  0.8122 546.458   22.985  529.120   31.681   565.729   33.400   37.988  1.1378 39.280  1.1601 -1.291817      1.624929  
1 1 1 5  6  19 o 94.416  2.3539 3274.01   162.899 3042.16   239.811  3472.65   221.970  90.879  3.6002 97.158  3.1170 -6.279015      4.762026  
1 1 1 5  6  20 o 160.741 3.1786 9511.02   374.497 9944.85   548.645  9132.55   512.445  163.982 4.5647 157.178 4.4481 6.803833       6.373541  
1 1 1 5  6  21 o 31.754  0.8201 369.648   19.087  374.609   27.137   364.790   26.851   31.960  1.1584 31.539  1.1616 0.4217014      1.640490  
1 1 1 5  6  22 o 80.217  1.5951 2362.19   93.785  2389.91   134.173  2335.70   131.144  80.617  2.2707 79.701  2.2449 0.9166412      3.193080  
1 1 1 5  6  23 o 68.809  1.4724 1738.31   74.257  1862.99   120.808  1662.59   94.141   71.139  2.3169 67.252  1.9098 3.886703       3.002595  
1 1 1 5  6  24 f 48.752  1.0074 872.061   35.997  926.382   53.321   826.570   48.795   50.217  1.4487 47.438  1.4034 2.778839       2.016943  
1 1 1 5  6  25 o 76.056  1.7654 2130.00   98.411  2034.14   133.236  2245.08   145.985  74.161  2.4511 77.880  2.5574 -3.719109      3.542352  
1 1 1 5  6  26 o 71.733  1.4415 1893.04   75.792  2082.16   116.627  1754.77   99.721   75.063  2.1198 68.948  1.9733 6.115379       2.896063  
1 1 1 5  6  27 o 33.325  0.7415 407.474   18.112  439.481   27.234   382.090   24.253   34.587  1.0743 32.253  1.0259 2.333912       1.485452  
1 1 1 5  6  28 o 34.100  0.7553 426.715   18.878  410.530   25.733   445.577   27.781   33.426  1.0503 34.821  1.0885 -1.394268      1.512603  
1 1 1 5  6  29 o 36.086  0.7880 478.018   20.842  485.207   29.878   471.206   29.087   36.326  1.1222 35.800  1.1085 0.5265312      1.577348  
1 1 1 5  6  30 o 21.368  0.5937 167.518   9.2978  169.662   13.183   165.395   13.116   21.492  0.8369 21.219  0.8433 0.2723236      1.188051  
1 1 1 5  6  31 o 21.792  0.6080 174.296   9.7118  192.853   14.454   159.023   13.113   22.906  0.8609 20.800  0.8601 2.105770       1.216966  
1 1 1 5  6  32 o 14.235  0.5896 74.376    6.1514  70.601    8.5762   78.375    8.8279   13.832  0.8500 14.579  0.8296 -0.7466230     1.187768  
1 1 1 5  7  0  o 30.398  1.0447 339.858   23.214  293.450   35.212   375.534   30.874   28.139  1.7221 31.928  1.3245 0.000000       0.000000  
1 1 1 5  7  1  o 450.322 10.165 74798.40  3355.13 76313.05  5909.88  74078.07  4075.59  451.850 17.844 447.439 12.427 4.411774       21.74539  
1 1 1 5  7  2  o 131.273 2.9610 6318.94   284.898 6385.51   407.576  6255.33   398.394  131.925 4.2150 130.576 4.1627 1.349792       5.924024  
1 1 1 5  7  3  o 180.396 3.7558 11937.15  496.601 12289.50  676.768  11526.11  730.958  182.973 5.0463 177.163 5.6291 5.809433       7.559880  
1 1 1 5  7  4  o 70.291  1.3842 1810.97   71.314  1867.55   92.848   1729.57   111.364  71.378  1.7747 68.687  2.2120 2.691269       2.835958  
1 1 1 5  7  5  o 193.473 4.7771 13739.51  677.437 13675.42  872.944  13836.54  1074.12  192.920 6.1735 193.927 7.5567 -1.007065      9.757861  
1 1 1 5  7  6  o 240.591 5.0036 21251.88  882.360 20298.08  1287.64  22096.24  1211.53  234.868 7.4798 245.143 6.7427 -10.27521      10.07031  
1 1 1 5  7  7  o 326.857 6.3747 39277.76  1527.21 38950.25  2470.03  39480.45  1943.16  324.641 10.381 327.380 8.0979 -2.739319      13.16555  
1 1 1 5  7  8  o 237.471 4.6371 20705.65  807.114 20846.87  1321.47  20621.62  1019.33  237.906 7.5783 236.854 5.8716 1.051727       9.586740  
1 1 1 5  7  9  o 274.596 5.3456 27716.60  1075.91 27496.35  1510.00  27943.73  1533.40  273.099 7.5436 275.300 7.5992 -2.200684      10.70764  
1 1 1 5  7  10 o 124.660 2.4378 5699.54   222.747 5396.98   298.675  6078.71   334.362  121.264 3.3604 128.685 3.5449 -7.420631      4.884522  
1 1 1 5  7  11 o 93.518  2.1129 3207.37   144.829 3175.11   202.698  3241.02   207.010  93.014  2.9732 93.973  3.0054 -0.9590149     4.227566  
1 1 1 5  7  12 o 50.164  1.0079 922.424   37.059  906.545   51.410   939.601   53.470   49.726  1.4105 50.624  1.4410 -0.8980255     2.016478  
1 1 1 5  7  13 o 90.094  1.7768 2977.03   117.333 2916.23   162.548  3043.16   169.540  89.136  2.4880 91.052  2.5404 -1.916199      3.555788  
1 1 1 5  7  14 o 139.295 3.1663 7131.28   323.274 7774.04   493.972  6649.76   427.546  145.199 4.6415 134.341 4.3420 10.85774       6.355839  
1 1 1 5  7  15 o 175.818 3.4623 11372.97  446.183 10820.19  601.620  12048.65  665.148  171.186 4.7948 180.576 5.0255 -9.390289      6.945908  
1 1 1 5  7  16 o 57.602  1.1536 1216.52   48.706  1154.46   65.314   1294.27   73.104   56.102  1.5884 59.399  1.6791 -3.297001      2.311368  
1 1 1 5  7  17 o 121.296 2.3786 5402.91   211.467 5218.55   287.972  5618.67   311.536  119.097 3.2989 123.557 3.4400 -4.460258      4.766183  
1 1 1 5  7  18 o 30.523  0.6725 341.492   15.046  339.211   21.195   343.810   21.362   30.418  0.9506 30.624  0.9517 -0.2054901     1.345166  
1 1 1 5  7  19 o 154.587 4.2861 8826.44   485.646 8666.28   674.428  8998.93   699.893  152.598 6.0299 155.454 6.1426 -2.856262      8.607571  
1 1 1 5  7  20 o 33.381  0.7845 408.483   19.195  434.530   26.594   380.157   27.733   34.425  1.0540 32.197  1.1752 2.227802       1.578559  
1 1 1 5  7  21 o 36.788  0.8471 496.188   22.841  600.103   40.784   448.697   27.571   40.443  1.3758 34.979  1.0754 5.464569       1.746243  
1 1 1 5  7  22 o 112.442 2.5858 4656.26   213.111 4779.53   306.328  4540.64   296.672  113.636 3.6778 110.767 3.6542 2.869301       5.184504  
1 1 1 5  7  23 o 73.541  1.5841 1986.82   85.388  2125.44   138.141  1901.11   108.624  75.930  2.4822 71.877  2.0619 4.052734       3.226820  
1 1 1 5  7  24 o 58.548  1.1953 1258.60   51.296  1345.32   77.049   1189.57   68.747   60.469  1.7384 56.873  1.6492 3.596909       2.396212  
1 1 1 5  7  25 o 32.721  0.8392 392.839   20.127  367.744   26.908   424.710   30.324   31.641  1.1602 34.000  1.2168 -2.358665      1.681315  
1 1 1 5  7  26 o 42.101  0.8869 650.631   27.368  661.295   39.336   640.626   38.102   42.410  1.2654 41.744  1.2453 0.6658630      1.775418  
1 1 1 5  7  27 o 23.357  0.6043 200.102   10.346  201.607   14.723   198.634   14.541   23.435  0.8571 23.262  0.8528 0.1732178      1.209141  
1 1 1 5  7  28 o 21.797  0.6955 174.318   11.111  151.292   14.596   206.055   17.135   20.294  0.9812 23.683  0.9871 -3.389481      1.391841  
1 1 1 5  7  29 o 19.892  0.5927 145.162   8.6419  149.534   12.399   141.031   12.052   20.180  0.8383 19.597  0.8390 0.5821323      1.186009  
1 1 1 5  7  30 o 34.739  0.7758 443.222   19.754  442.003   27.924   444.443   27.949   34.653  1.0994 34.749  1.0973 -0.9577560E-01 1.553320  
1 1 1 5  7  31 o 16.260  0.5860 97.032    6.9835  91.350    9.6439   103.297   10.126   15.742  0.8388 16.764  0.8241 -1.022194      1.175917  
1 1 1 5  7  32 o 15.071  0.5900 83.373    6.5172  85.553    9.3082   81.277    9.1277   15.232  0.8369 14.845  0.8424 0.3873339      1.187439  
1 1 1 5  8  0  f 186.585 10.440 12925.45  1417.56 0.0000    0.0000   12925.45  1417.56  186.585 10.440 186.585 10.440 0.000000       0.000000  
1 1 1 5  8  1  o 376.703 14.871 52801.73  4106.12 0.0000    0.0000   52801.73  4106.12  ?       ?      376.703 14.871 0.000000       14.87141  
1 1 1 5  8  2  o 128.567 3.1914 6062.02   300.740 6337.31   492.545  5898.38   379.745  131.380 5.1149 126.791 4.0862 4.589409       6.546709  
1 1 1 5  8  3  o 219.925 4.5782 17752.13  737.982 17502.90  963.343  18106.13  1148.14  218.256 6.0219 221.878 7.0599 -3.621674      9.279308  
1 1 1 5  8  4  o 103.392 2.0256 3918.86   153.503 3768.01   186.506  4235.64   270.267  101.375 2.5101 107.459 3.4314 -6.084831      4.251426  
1 1 1 5  8  5  f 190.350 3.7039 13292.93  516.760 13879.78  761.373  12791.67  703.654  194.393 5.3436 186.633 5.1439 7.759995       7.417111  
1 1 1 5  8  6  o 68.179  1.3408 1703.81   67.005  1785.80   114.530  1661.14   82.620   69.791  2.2389 67.317  1.6745 2.473686       2.795817  
1 1 1 5  8  7  o 88.339  1.7340 2860.76   112.272 2628.68   168.439  3046.30   150.607  84.663  2.7144 91.150  2.2543 -6.487228      3.528394  
1 1 1 5  8  8  o 51.535  1.1113 973.460   41.979  914.140   60.684   1027.90   58.133   49.936  1.6580 52.954  1.4978 -3.017483      2.234327  
1 1 1 5  8  9  o 14.702  0.4819 79.221    5.1929  90.400    10.802   75.860    5.9222   15.676  0.9445 14.387  0.5616 1.289324       1.098857  
1 1 1 5  8  10 o 117.454 2.3001 5060.07   198.016 5510.98   303.266  4724.96   261.440  122.515 3.3772 113.456 3.1439 9.059105       4.614004  
1 1 1 5  8  11 o 87.597  2.1724 2814.71   139.481 2739.73   214.066  2870.03   183.872  86.364  3.3817 88.424  2.8370 -2.059601      4.414130  
1 1 1 5  8  12 o 178.003 3.4802 11646.30  454.057 11972.86  660.575  11353.82  625.155  180.199 5.0014 175.509 4.8597 4.690536       6.973536  
1 1 1 5  8  13 f 42.077  0.8676 648.982   26.757  618.437   36.120   686.131   39.834   41.071  1.1999 43.259  1.2563 -2.188618      1.737217  
1 1 1 5  8  14 o 42.084  1.0017 649.265   30.900  712.316   47.262   602.193   40.836   44.072  1.4631 40.524  1.3749 3.548038       2.007703  
1 1 1 5  8  15 o 123.613 2.8072 5615.22   254.338 5494.01   350.095  5750.69   370.117  122.114 3.9115 124.911 4.0426 -2.797440      5.625103  
1 1 1 5  8  16 o 91.346  1.7982 3061.53   120.396 2948.10   163.743  3195.03   177.636  89.589  2.4936 93.256  2.5988 -3.667503      3.601640  
1 1 1 5  8  17 o 54.432  1.0948 1086.31   43.678  1083.52   61.681   1089.13   61.858   54.349  1.5484 54.490  1.5488 -0.1404114     2.190051  
1 1 1 5  8  18 o 40.910  0.8519 613.526   25.546  566.407   33.510   678.907   39.473   39.302  1.1632 43.027  1.2516 -3.724598      1.708726  
1 1 1 5  8  19 o 58.164  1.3541 1240.85   57.727  1413.44   91.542   1126.90   74.380   62.046  2.0129 55.409  1.8314 6.636215       2.721402  
1 1 1 5  8  20 o 24.831  0.6017 226.007   10.951  232.403   15.785   220.073   15.205   25.177  0.8554 24.500  0.8467 0.6769009      1.203557  
1 1 1 5  8  21 f 96.353  1.8956 3410.67   133.871 3449.16   191.217  3373.67   187.484  96.775  2.6958 95.714  2.6724 1.060814       3.795942  
1 1 1 5  8  22 o 29.522  0.7754 319.560   16.778  302.480   22.758   339.900   24.835   28.715  1.0813 30.439  1.1132 -1.723515      1.551861  
1 1 1 5  8  23 o 54.403  1.1883 1086.38   47.384  1021.12   67.934   1148.21   66.124   52.694  1.7589 55.892  1.6141 -3.198303      2.387278  
1 1 1 5  8  24 o 14.190  0.5533 73.824    5.7544  80.513    8.2475   67.480    8.0325   14.796  0.7631 13.538  0.8133 1.257537       1.115217  
1 1 1 5  8  25 o 32.994  1.0329 399.722   24.978  386.242   33.631   416.306   37.303   32.405  1.4159 33.634  1.5132 -1.228790      2.072334  
1 1 1 5  8  26 o 27.969  0.6599 286.955   13.527  306.835   20.124   270.568   18.271   28.907  0.9498 27.147  0.9182 1.760359       1.321084  
1 1 1 5  8  27 o 10.191  0.6441 38.253    4.7869  32.943    6.6579   43.937    6.8873   9.4199  0.9786 10.905  0.8689 -1.485276      1.308648  
1 1 1 5  8  28 o 25.453  0.7365 237.760   13.740  271.847   21.308   213.497   17.977   27.195  1.0690 24.104  1.0175 3.091377       1.475829  
1 1 1 5  8  29 o 8.5701  0.7745 27.186    4.8124  17.522    6.5392   38.604    7.1079   6.7756  1.3639 10.204  0.9617 -3.428343      1.668900  
1 1 1 5  8  30 o 47.626  1.4145 837.856   49.379  881.878   72.958   800.644   67.077   48.653  2.0459 46.384  1.9730 2.268440       2.842254  
1 1 1 5  8  31 o 30.824  0.7126 349.006   16.101  342.559   22.533   355.731   23.014   30.502  1.0079 31.083  1.0102 -0.5805569     1.426974  
1 1 1 5  9  0  o 33.179  0.9685 404.489   23.508  383.978   31.940   428.734   34.726   32.283  1.3553 34.117  1.3940 0.000000       0.000000  
1 1 1 5  9  1  o 67.738  1.5377 1681.91   76.346  1809.62   115.776  1583.64   101.556  70.256  2.2483 65.724  2.1081 4.531219       3.082078  
1 1 1 5  9  2  o 169.541 3.8108 10546.59  473.554 10085.77  640.063  11103.90  703.891  165.706 5.2699 173.850 5.5240 -8.143448      7.634522  
1 1 1 5  9  3  o 128.943 2.9129 6097.52   275.301 5732.38   365.273  6577.68   418.877  124.983 3.9874 133.869 4.2690 -8.885239      5.841529  
1 1 1 5  9  4  o 229.785 4.4782 19384.80  754.234 19660.13  967.013  18957.15  1205.18  231.284 5.7043 226.913 7.2462 4.371536       9.222106  
1 1 1 5  9  5  o 370.072 7.2179 50439.82  1957.84 49104.59  2694.14  51934.07  2850.05  364.284 10.090 374.527 10.382 -10.24277      14.47762  
1 1 1 5  9  6  o 52.252  1.1112 1000.72   42.557  984.464   78.269   1007.54   50.708   51.817  2.0608 52.428  1.3196 -0.6108742     2.447052  
1 1 1 5  9  7  o 163.120 4.0147 9770.77   480.001 9681.38   751.764  9832.30   623.684  162.134 6.3260 163.522 5.2036 -1.388809      8.191201  
1 1 1 5  9  8  o 70.271  1.9740 1810.70   101.672 1757.02   140.032  1870.54   147.859  69.203  2.7607 71.401  2.8253 -2.198708      3.950155  
1 1 1 5  9  9  o 130.949 2.7301 6292.32   262.041 6130.25   477.487  6362.17   313.462  129.053 5.0479 131.639 3.2488 -2.586044      6.003001  
1 1 1 5  9  10 o 63.821  1.2638 1493.21   59.116  1502.96   84.026   1483.66   83.187   64.018  1.7907 63.606  1.7843 0.4120903      2.527953  
1 1 1 5  9  11 o 118.536 2.6733 5158.49   232.262 5456.81   346.518  4915.13   312.974  121.795 3.8817 115.612 3.6934 6.182472       5.358010  
1 1 1 5  9  12 o 37.635  0.7802 519.175   21.521  519.378   30.456   518.972   30.415   37.639  1.1040 37.625  1.1029 0.1468658E-01  1.560481  
1 1 1 5  9  13 o 120.330 2.3670 5316.10   208.765 5639.80   311.171  5051.14   281.526  123.816 3.4288 117.196 3.2774 6.620491       4.743190  
1 1 1 5  9  14 f 111.195 2.5241 4541.50   205.714 4694.31   299.676  4405.31   282.896  112.915 3.6209 109.397 3.5281 3.518089       5.055549  
1 1 1 5  9  15 o 53.435  1.2408 1047.03   48.598  1100.18   71.925   1002.38   65.923   54.758  1.7921 52.270  1.7207 2.487907       2.484406  
1 1 1 5  9  16 o 114.486 2.2473 4812.84   188.577 5023.66   276.896  4630.48   257.531  116.844 3.2332 112.193 3.1317 4.651665       4.501230  
1 1 1 5  9  17 o 56.116  1.1291 1154.66   46.440  1116.32   63.695   1198.16   67.854   55.163  1.5753 57.148  1.6199 -1.984753      2.259627  
1 1 1 5  9  18 o 49.008  1.1529 880.745   41.414  885.743   58.717   875.798   58.420   49.132  1.6305 48.855  1.6314 0.2766151      2.306536  
1 1 1 5  9  19 o 81.164  1.6108 2417.42   95.828  2331.17   131.166  2516.16   140.340  79.654  2.2467 82.747  2.3139 -3.093567      3.225162  
1 1 1 5  9  20 o 23.587  0.5833 203.931   10.084  194.834   13.834   214.246   14.731   23.052  0.8187 24.173  0.8314 -1.120979      1.166856  
1 1 1 5  9  21 o 43.619  0.9100 697.720   29.093  729.260   42.745   670.500   39.710   44.579  1.3082 42.747  1.2674 1.831913       1.821462  
1 1 1 5  9  22 o 26.417  0.8023 255.917   15.536  297.494   27.465   236.357   18.839   28.467  1.3163 25.383  1.0126 3.084162       1.660758  
1 1 1 5  9  23 o 78.159  1.5550 2246.00   89.084  2209.15   123.812  2285.55   128.275  77.394  2.1826 78.712  2.2234 -1.317566      3.115649  
1 1 1 5  9  24 o 11.841  0.5774 51.417    5.0113  63.336    7.6030   42.261    6.6637   13.115  0.7947 10.698  0.8571 2.417519       1.168790  
1 1 1 5  9  25 o 45.959  1.0986 776.037   37.006  808.754   54.096   747.260   50.734   46.855  1.5752 45.044  1.5367 1.810936       2.200565  
1 1 1 5  9  26 f 30.605  0.7003 343.659   15.709  337.502   21.770   350.347   22.690   30.313  0.9798 30.883  1.0024 -0.5698605     1.401721  
1 1 1 5  9  27 o 29.015  0.6784 308.887   14.428  321.979   20.879   296.924   19.959   29.606  0.9622 28.431  0.9578 1.174942       1.357632  
1 1 1 5  9  28 o 55.552  1.4464 1137.72   58.894  1112.91   91.305   1155.40   77.070   54.702  2.2772 55.866  1.8821 -1.164150      2.954366  
1 1 1 5  9  29 o 16.808  0.5744 103.654   7.0760  97.383    9.8673   110.294   10.153   16.260  0.8307 17.329  0.7994 -1.068365      1.152838  
1 1 1 5  9  30 o 26.689  0.8275 261.832   16.187  269.346   25.339   256.651   21.040   27.014  1.2797 26.396  1.0875 0.6183491      1.679408  
1 1 1 5  9  31 o 39.783  0.8623 582.097   25.144  658.971   39.376   529.167   32.673   42.241  1.2718 37.873  1.1770 4.367290       1.732850  
1 1 1 5  10 0  o 44.685  1.2707 733.602   41.543  710.549   56.989   759.742   60.686   43.921  1.7768 45.417  1.8297 0.000000       0.000000  
1 1 1 5  10 1  o 262.488 5.9252 25338.45  1139.97 23936.03  1522.80  27126.30  1719.37  254.725 8.1562 271.058 8.6542 -16.33261      11.89200  
1 1 1 5  10 2  o 158.833 3.5682 9257.59   415.401 9061.30   575.649  9470.86   600.042  157.042 5.0011 160.544 5.0993 -3.501709      7.142351  
1 1 1 5  10 3  o 44.964  1.0368 741.015   34.170  772.599   50.351   714.052   46.522   45.909  1.4963 44.136  1.4381 1.773331       2.075359  
1 1 1 5  10 4  o 313.519 6.5402 36202.48  1502.91 37801.86  2072.10  34427.14  2183.12  319.714 8.8424 304.806 9.7718 14.90891       13.17857  
1 1 1 5  10 5  f 76.367  1.5044 2137.91   84.210  2107.91   118.062  2168.98   120.147  75.818  2.1245 76.909  2.1314 -1.090172      3.009337  
1 1 1 5  10 6  o 90.066  1.7605 2974.16   116.221 2938.88   188.023  2995.97   147.848  89.497  2.8663 90.383  2.2318 -0.8863373     3.632699  
1 1 1 5  10 7  o 135.560 2.6509 6742.48   263.391 6985.03   448.573  6614.86   325.391  137.832 4.4402 134.227 3.3074 3.604492       5.536614  
1 1 1 5  10 8  o 79.941  1.5662 2343.10   91.768  2345.55   149.915  2341.63   116.050  79.951  2.5582 79.904  1.9815 0.4677582E-01  3.235885  
1 1 1 5  10 9  o 115.222 2.2536 4871.00   190.327 4973.72   316.102  4812.59   238.380  116.316 3.7077 114.490 2.8407 1.826263       4.670813  
1 1 1 5  10 10 o 126.365 2.8708 5864.82   265.896 5730.27   447.919  5938.03   330.411  124.646 4.9027 127.078 3.5473 -2.431747      6.051488  
1 1 1 5  10 11 o 66.420  1.5148 1617.86   73.744  1572.24   101.529  1668.81   107.290  65.455  2.1162 67.433  2.1707 -1.977760      3.031604  
1 1 1 5  10 12 o 82.622  1.6229 2503.97   98.284  2437.67   135.490  2577.61   142.786  81.487  2.2685 83.789  2.3250 -2.302765      3.248315  
1 1 1 5  10 13 o 155.651 3.0361 8908.80   346.379 8972.44   493.016  8846.77   486.752  155.939 4.3135 154.849 4.2886 1.089890       6.082634  
1 1 1 5  10 14 o 107.956 2.1161 4278.44   167.445 4496.79   248.631  4097.20   226.517  110.572 3.0678 105.562 2.9276 5.010254       4.240562  
1 1 1 5  10 15 o 92.683  2.9723 3159.18   201.920 3102.03   242.912  3286.95   363.228  91.765  3.6115 94.040  5.2912 -2.274551      6.406268  
1 1 1 5  10 16 o 93.179  2.5944 3190.80   177.188 3290.19   257.097  3100.89   244.537  94.481  3.7125 91.734  3.6369 2.747681       5.197132  
1 1 1 5  10 17 o 99.311  2.4661 3624.53   179.513 3646.29   232.879  3592.66   281.798  99.516  3.1927 98.669  3.8965 0.8464279      5.037474  
1 1 1 5  10 18 o 32.302  0.8140 382.524   19.272  387.624   27.494   377.598   27.020   32.511  1.1538 32.088  1.1489 0.4231377      1.628214  
1 1 1 5  10 19 o 122.665 2.4053 5533.35   216.258 5372.99   297.158  5713.90   315.320  120.678 3.3595 124.423 3.4576 -3.744934      4.820914  
1 1 1 5  10 20 o 57.904  1.1645 1229.98   49.422  1243.10   70.533   1217.33   69.271   58.182  1.6540 57.577  1.6414 0.6052322      2.330207  
1 1 1 5  10 21 f 48.576  0.9911 865.541   35.289  841.813   48.574   892.064   51.354   47.885  1.3839 49.292  1.4214 -1.406147      1.983869  
1 1 1 5  10 22 o 49.723  1.1779 907.616   42.928  960.748   63.816   863.703   58.016   51.111  1.7035 48.468  1.6331 2.643192       2.359818  
1 1 1 5  10 23 o 33.606  0.7391 414.244   18.205  403.934   25.112   425.667   26.432   33.171  1.0329 34.050  1.0591 -0.8791504     1.479330  
1 1 1 5  10 24 o 21.616  0.5805 171.354   9.1973  170.812   12.915   171.912   13.101   21.575  0.8167 21.644  0.8258 -0.6905365E-01 1.161438  
1 1 1 5  10 25 o 35.695  0.7752 467.593   20.282  465.246   28.514   469.997   28.854   35.581  1.0934 35.762  1.1008 -0.1805725     1.551496  
1 1 1 5  10 26 o 11.863  0.6023 51.754    5.2199  49.725    7.3952   53.768    7.3690   11.604  0.8759 12.073  0.8379 -0.4687357     1.212163  
1 1 1 5  10 27 o 15.393  0.5690 86.913    6.4196  111.276   10.020   69.947    8.3612   17.410  0.7852 13.777  0.8319 3.633239       1.143912  
1 1 1 5  10 28 o 32.719  1.0625 393.734   25.480  384.750   35.239   403.578   36.886   32.287  1.4890 33.063  1.5221 -0.7753410     2.129309  
1 1 1 5  10 29 o 16.320  0.5713 97.735    6.8339  88.800    9.2397   108.525   10.154   15.524  0.8149 17.186  0.8061 -1.661688      1.146223  
1 1 1 5  10 30 o 23.560  0.6219 203.808   10.739  199.883   14.926   208.020   15.462   23.312  0.8735 23.780  0.8871 -0.4684582     1.245011  
1 1 1 5  11 0  o 78.439  2.1891 2260.85   125.637 2013.46   223.314  2375.43   151.970  73.728  4.1628 80.366  2.5860 0.000000       0.000000  
1 1 1 5  11 1  o 235.869 5.3045 20468.52  917.063 20786.52  1318.12  20170.19  1276.71  237.214 7.5811 233.702 7.4533 3.512329       10.63137  
1 1 1 5  11 2  o 45.566  1.0499 761.041   35.065  742.089   48.532   781.740   50.719   44.992  1.4717 46.178  1.4985 -1.186104      2.100305  
1 1 1 5  11 3  o 156.992 3.5324 9049.48   406.474 8922.74   566.829  9183.66   583.204  155.745 4.9654 157.997 5.0360 -2.252350      7.072285  
1 1 1 5  11 4  o 74.444  1.5760 2031.83   85.995  1928.26   108.361  2208.03   141.337  72.512  2.0388 77.582  2.4855 -5.069405      3.214750  
1 1 1 5  11 5  o 127.698 2.4871 5982.70   232.791 5828.56   320.850  6154.04   338.272  125.977 3.4748 129.439 3.5655 -3.462357      4.978655  
1 1 1 5  11 6  o 137.575 2.6769 6946.22   269.927 6818.81   432.837  7027.31   345.297  136.151 4.3373 138.315 3.4060 -2.164474      5.514817  
1 1 1 5  11 7  o 67.123  1.3199 1651.83   64.939  1653.78   106.407  1650.67   81.976   67.141  2.1622 67.092  1.6670 0.4886627E-01  2.730237  
1 1 1 5  11 8  o 123.509 2.4119 5598.89   218.344 5747.17   365.992  5516.95   272.062  124.971 3.9956 122.549 3.0288 2.421692       5.013840  
1 1 1 5  11 9  o 85.139  1.6704 2658.68   104.239 2608.69   167.393  2690.35   133.222  84.278  2.7098 85.623  2.1228 -1.344688      3.442275  
1 1 1 5  11 10 f 183.387 4.1434 12393.17  556.937 12620.96  979.434  12284.32  677.050  184.020 7.2616 182.332 5.0661 1.687897       8.854146  
1 1 1 5  11 11 o 139.766 2.9328 7180.97   300.443 7543.88   482.997  6951.93   383.714  142.932 4.6104 137.374 3.8109 5.558228       5.981476  
1 1 1 5  11 12 o 100.639 1.9705 3717.32   145.356 3718.86   205.716  3715.79   205.414  100.585 2.7903 100.544 2.7874 0.4118347E-01  3.944008  
1 1 1 5  11 13 o 39.109  0.8099 560.682   23.215  573.833   33.381   548.362   32.308   39.560  1.1512 38.672  1.1398 0.8877335      1.620037  
1 1 1 5  11 14 o 75.020  1.4783 2064.40   81.287  2034.86   113.439  2095.57   116.539  74.449  2.0789 75.549  2.1046 -1.100761      2.958176  
1 1 1 5  11 15 o 213.217 5.9635 16914.00  931.974 16060.11  1250.18  17982.12  1398.24  206.347 8.2659 217.972 8.7519 -11.62456      12.03831  
1 1 1 5  11 16 o 40.827  0.8541 611.071   25.557  612.103   36.115   610.036   36.172   40.854  1.2060 40.785  1.2100 0.6914520E-01  1.708417  
1 1 1 5  11 17 o 154.454 3.0256 8783.75   342.531 8809.21   484.956  8758.40   483.869  154.316 4.2876 153.869 4.2904 0.4466553      6.065520  
1 1 1 5  11 18 o 152.533 4.2381 8616.76   473.825 8461.87   657.924  8783.67   682.957  150.385 5.9688 153.157 6.0838 -2.771713      8.522912  
1 1 1 5  11 19 o 103.108 2.0314 3907.83   153.518 3955.93   218.781  3861.19   215.471  103.583 2.8816 102.337 2.8726 1.245979       4.068866  
1 1 1 5  11 20 o 35.418  0.7618 459.970   19.777  432.948   26.509   493.889   29.700   34.354  1.0528 36.691  1.1044 -2.336487      1.525773  
1 1 1 5  11 21 o 37.714  0.7960 521.649   22.004  521.097   31.022   522.208   31.216   37.681  1.1232 37.721  1.1291 -0.3987122E-01 1.592612  
1 1 1 5  11 22 o 69.894  1.6166 1797.31   82.817  1660.67   108.311  1989.65   128.503  67.072  2.2032 73.370  2.3896 -6.297089      3.250225  
1 1 1 5  11 23 o 24.147  0.5965 213.830   10.557  208.869   14.589   219.286   15.297   23.857  0.8343 24.444  0.8538 -0.5868950     1.193733  
1 1 1 5  11 24 o 48.951  1.4233 882.212   51.066  812.758   66.451   982.386   79.805   46.893  1.9333 51.513  2.1137 -4.619247      2.864500  
1 1 1 5  11 25 o 40.626  0.8635 605.995   25.713  565.775   34.283   657.717   38.877   39.222  1.1925 42.281  1.2545 -3.059067      1.730862  
1 1 1 5  11 26 o 16.061  0.6302 94.644    7.4195  88.646    10.082   101.728   10.958   15.510  0.8906 16.618  0.9030 -1.107433      1.268319  
1 1 1 5  11 27 o 20.312  0.8027 151.497   11.951  164.547   17.236   139.413   16.586   21.120  1.1174 19.429  1.1701 1.691298       1.617967  
1 1 1 5  11 28 o 10.134  1.1797 38.337    8.5989  40.602    11.478   35.440    12.982   10.367  1.5587 9.6055  1.9111 0.7617207      2.466153  
1 1 1 5  11 29 o 13.042  0.7428 62.694    7.0711  58.119    8.8543   70.748    11.749   12.529  0.9718 13.802  1.1725 -1.272992      1.522872  
1 1 1 5  11 30 o 43.161  0.9892 686.158   31.293  663.880   46.172   705.085   42.558   42.321  1.4885 43.664  1.3298 -1.343441      1.995984  
1 1 1 5  12 0  o 217.487 6.0205 17435.21  958.066 17344.18  1901.38  17466.19  1109.16  215.019 12.153 217.467 6.9749 0.000000       0.000000  
1 1 1 5  12 1  o 100.375 2.0991 3695.53   154.433 3614.55   200.100  3814.81   242.860  99.238  2.7510 101.921 3.2510 -2.682098      4.258724  
1 1 1 5  12 2  o 147.474 3.3174 7988.20   358.593 7856.03   498.668  8129.74   516.031  146.092 4.6570 148.604 4.7377 -2.511810      6.643265  
1 1 1 5  12 3  o 62.260  1.4209 1421.19   64.842  1474.85   95.216   1374.79   88.547   63.409  2.0487 61.223  1.9732 2.186821       2.844437  
1 1 1 5  12 4  o 155.285 3.5010 8861.75   398.474 8921.66   568.014  8803.69   559.144  155.587 4.9809 154.562 4.9356 1.024231       7.012069  
1 1 1 5  12 5  o 180.319 3.5141 11952.68  464.454 11702.40  643.188  12225.39  671.395  178.159 4.9255 182.073 5.0310 -3.913895      7.040668  
1 1 1 5  12 6  o 102.091 1.9934 3823.83   149.161 3734.02   237.813  3882.07   191.515  100.798 3.2189 102.831 2.5410 -2.033424      4.100939  
1 1 1 5  12 7  o 133.935 2.6138 6587.75   256.593 6634.12   421.749  6560.49   323.316  134.172 4.2886 133.576 3.3023 0.5960236      5.412688  
1 1 1 5  12 8  o 133.811 2.6115 6576.55   256.129 6476.21   412.320  6639.60   326.836  132.546 4.2441 134.359 3.3188 -1.813797      5.387677  
1 1 1 5  12 9  f 68.566  1.3495 1724.04   67.822  1709.21   109.892  1733.16   86.197   68.234  2.1973 68.734  1.7110 -0.4993515     2.784844  
1 1 1 5  12 10 o 120.758 2.9876 5362.69   264.432 5113.51   562.800  5433.28   299.557  116.968 6.5914 121.495 3.3639 -4.526909      7.400188  
1 1 1 5  12 11 o 64.264  1.2740 1514.52   60.010  1418.95   92.138   1584.94   79.085   62.173  2.0219 65.727  1.6416 -3.554230      2.604385  
1 1 1 5  12 12 o 85.844  1.8048 2704.37   113.557 2840.28   181.489  2616.93   145.574  87.889  2.8173 84.405  2.3531 3.484192       3.670710  
1 1 1 5  12 13 o 53.794  1.0807 1061.04   42.612  1107.34   62.568   1020.99   58.195   54.940  1.5538 52.756  1.5050 2.183979       2.163138  
1 1 1 5  12 14 o 12.969  0.5163 61.651    4.9081  59.099    6.7880   64.447    7.1049   12.676  0.7337 13.239  0.7351 -0.5628614     1.038607  
1 1 1 5  12 15 o 156.708 3.5496 9054.80   407.714 9598.28   609.597  8614.91   548.430  160.795 5.1724 152.432 4.9087 8.362396       7.130815  
1 1 1 5  12 16 o 119.379 2.3466 5238.06   205.326 5033.86   278.681  5480.55   303.676  116.873 3.2532 121.917 3.3983 -5.044296      4.704480  
1 1 1 5  12 17 o 122.801 2.4268 5546.03   218.431 6144.37   340.543  5127.79   284.715  128.984 3.6021 117.906 3.2945 11.07800       4.881505  
1 1 1 5  12 18 f 151.819 3.4571 8520.22   384.695 8166.35   519.845  8948.61   571.963  148.048 4.7906 154.842 5.0396 -6.793594      6.953250  
1 1 1 5  12 19 o 69.812  1.3895 1789.17   71.101  1677.43   94.292   1936.43   108.251  67.547  1.9045 72.558  2.0355 -5.011124      2.787533  
1 1 1 5  12 20 o 115.302 2.2726 4899.98   192.061 4953.09   273.704  4848.46   269.574  115.591 3.2305 114.370 3.2158 1.221428       4.558247  
1 1 1 5  12 21 o 12.154  0.5777 54.166    5.1467  50.225    7.1362   58.437    7.4296   11.671  0.8399 12.596  0.8090 -0.9251070     1.166151  
1 1 1 5  12 22 o 31.317  0.8049 359.853   18.475  365.753   26.497   354.269   25.774   31.553  1.1457 31.055  1.1324 0.4984570      1.610857  
1 1 1 5  12 23 o 58.395  1.2652 1254.05   54.152  1283.83   73.472   1218.64   80.126   59.002  1.6989 57.438  1.9032 1.563274       2.551199  
1 1 1 5  12 24 o 9.2907  0.8098 31.926    5.4596  30.699    7.7473   33.136    7.6950   9.0584  1.1961 9.4259  1.1367 -0.3674927     1.650112  
1 1 1 5  12 25 o 40.378  0.8563 598.715   25.342  629.134   37.236   572.467   34.589   41.347  1.2287 39.445  1.1964 1.901787       1.714908  
1 1 1 5  12 26 o 27.848  0.6523 284.573   13.314  277.611   18.388   292.247   19.303   27.489  0.9126 28.202  0.9338 -0.7136669     1.305723  
1 1 1 5  12 27 o 6.6441  0.8859 16.507    4.2068  14.674    5.9014   18.402    5.9986   6.1904  1.3395 6.9680  1.2189 -0.7775230     1.811096  
1 1 1 5  12 28 o 23.454  0.7085 202.043   12.180  205.239   17.314   198.912   17.139   23.613  1.0004 23.246  1.0059 0.3673630      1.418647  
1 1 1 5  12 29 o 46.167  1.3620 788.581   46.087  779.668   64.016   798.170   66.404   45.696  1.9113 46.213  1.9604 -0.5167923     2.737957  
1 1 1 5  12 30 o 17.219  0.5846 108.861   7.3779  106.086   10.299   111.787   10.575   16.983  0.8273 17.433  0.8276 -0.4503002     1.170205  
1 1 1 5  13 0  o 11.943  0.5626 52.627    4.8998  68.016    10.111   47.903    5.6014   13.504  1.0355 11.372  0.6775 0.000000       0.000000  
1 1 1 5  13 1  o 40.359  0.8700 597.075   25.735  631.007   41.284   575.509   32.913   41.484  1.3578 39.621  1.1333 1.863174       1.768605  
1 1 1 5  13 2  o 109.965 2.4783 4439.43   199.755 4256.64   270.889  4657.29   295.734  107.591 3.4351 112.523 3.5857 -4.932610      4.965604  
1 1 1 5  13 3  o 38.445  0.9011 541.793   25.393  510.644   34.101   580.562   38.044   37.319  1.2467 39.791  1.3044 -2.472118      1.804336  
1 1 1 5  13 4  o 102.288 2.3149 3840.91   173.556 3968.83   253.188  3727.53   238.372  103.885 3.3252 100.687 3.2300 3.197777       4.635677  
1 1 1 5  13 5  o 94.942  1.9868 3307.79   138.258 3466.73   191.427  3134.47   199.901  97.144  2.6885 92.349  2.9533 4.795288       3.993710  
1 1 1 5  13 6  f 77.413  1.5230 2198.02   86.418  2102.64   135.242  2263.84   112.345  75.667  2.4385 78.543  1.9515 -2.876221      3.123231  
1 1 1 5  13 7  o 53.335  1.0695 1042.96   41.811  1010.40   66.757   1063.97   53.633   52.478  1.7355 53.863  1.3585 -1.384724      2.204011  
1 1 1 5  13 8  o 55.535  1.1055 1130.81   45.000  1174.33   76.546   1107.83   55.628   56.569  1.8461 54.960  1.3809 1.608719       2.305472  
1 1 1 5  13 9  o 59.471  1.1784 1296.92   51.366  1393.59   89.846   1249.98   62.607   61.615  1.9894 58.376  1.4632 3.238960       2.469598  
1 1 1 5  13 10 o 79.623  1.9765 2327.35   115.348 2361.42   260.670  2319.06   128.626  79.805  4.4744 79.465  2.2084 0.3405685      4.989694  
1 1 1 5  13 11 o 54.241  1.0820 1078.77   43.015  1161.55   75.379   1038.79   52.381   56.256  1.8281 53.219  1.3428 3.037552       2.268291  
1 1 1 5  13 12 o 133.618 2.6177 6563.49   256.371 6153.32   393.341  6866.43   338.039  129.070 4.1578 136.525 3.3781 -7.455597      5.357137  
1 1 1 5  13 13 o 50.566  1.0165 937.538   37.676  899.297   51.211   982.658   55.627   49.513  1.4111 51.755  1.4664 -2.242027      2.035063  
1 1 1 5  13 14 o 20.817  0.5355 158.833   8.1706  152.834   11.265   165.493   11.869   20.418  0.7527 21.247  0.7621 -0.8287449     1.071162  
1 1 1 5  13 15 o 64.279  1.4806 1516.05   69.756  1431.62   93.528   1621.89   104.718  62.429  2.0440 66.440  2.1504 -4.010914      2.966795  
1 1 1 5  13 16 o 85.106  1.9364 2660.62   120.790 2537.17   163.046  2810.80   179.831  83.019  2.6795 87.362  2.8084 -4.342918      3.881586  
1 1 1 5  13 17 o 58.743  1.3563 1266.35   58.398  1333.81   86.546   1209.95   79.127   60.242  1.9601 57.383  1.8813 2.858799       2.716813  
1 1 1 5  13 18 o 36.545  0.7781 489.720   20.842  475.110   28.684   506.059   30.334   35.987  1.0875 37.139  1.1144 -1.152588      1.557032  
1 1 1 5  13 19 o 66.481  1.3285 1622.89   64.733  1510.91   85.359   1774.46   99.308   64.092  1.8170 69.438  1.9512 -5.345863      2.666255  
1 1 1 5  13 20 o 23.254  0.5876 198.272   10.015  196.478   13.968   200.169   14.367   23.143  0.8234 23.359  0.8391 -0.2159767     1.175668  
1 1 1 5  13 21 o 42.990  0.8935 678.295   28.155  680.435   39.926   676.179   39.711   43.026  1.2660 42.891  1.2632 0.1344681      1.788407  
1 1 1 5  13 22 o 31.298  0.7018 359.383   16.099  375.693   23.463   344.873   22.131   31.983  1.0009 30.644  0.9853 1.338915       1.404487  
1 1 1 5  13 23 o 11.297  0.7364 47.034    6.0643  45.624    8.7052   48.362    8.4527   11.088  1.0850 11.427  1.0199 -0.3388662     1.489131  
1 1 1 5  13 24 o 10.822  0.5964 43.095    4.7128  40.603    6.5894   45.704    6.7431   10.479  0.8656 11.126  0.8329 -0.6463728     1.201312  
1 1 1 5  13 25 o 29.820  0.6790 326.352   14.840  338.569   21.515   315.264   20.497   30.351  0.9671 29.289  0.9548 1.062149       1.359024  
1 1 1 5  13 26 o 12.924  0.5682 61.279    5.3821  46.958    6.9900   82.131    8.4348   11.274  0.8522 14.935  0.7732 -3.661428      1.150694  
1 1 1 5  13 27 o 20.810  0.5802 158.930   8.8491  155.941   12.275   162.164   12.769   20.599  0.8130 21.005  0.8294 -0.4058628     1.161373  
1 1 1 5  13 28 o 18.338  0.5801 123.451   7.7975  113.700   10.503   135.426   11.639   17.584  0.8149 19.190  0.8275 -1.605612      1.161389  
1 1 1 5  13 29 o 10.533  0.8295 41.063    6.3521  44.337    8.5976   37.129    9.4258   10.909  1.0898 9.9307  1.3282 0.9786253      1.718107  
1 1 1 5  14 0  o 134.437 3.7201 6655.41   365.932 6613.06   420.092  6788.63   745.048  133.902 4.2903 134.769 7.5977 -0.000000      0.000000  
1 1 1 5  14 1  o 71.246  1.6158 1862.02   84.376  1824.55   117.003  1902.62   121.793  70.493  2.2645 71.982  2.3084 -1.489746      3.233683  
1 1 1 5  14 2  o 145.932 3.2886 7836.01   351.755 7746.80   491.763  7929.47   503.353  144.813 4.6331 146.497 4.6878 -1.683624      6.590918  
1 1 1 5  14 3  o 55.842  1.2745 1143.52   52.167  1123.47   72.752   1164.72   74.842   55.334  1.7938 56.340  1.8124 -1.005997      2.549986  
1 1 1 5  14 4  o 144.697 3.2631 7705.21   346.078 7931.14   502.841  7501.87   477.034  146.479 4.6835 142.490 4.5676 3.989426       6.542039  
1 1 1 5  14 5  o 117.822 2.6554 5102.30   229.315 4995.45   317.767  5218.40   331.253  116.419 3.7239 118.975 3.7986 -2.555862      5.319504  
1 1 1 5  14 6  o 54.719  1.1604 1097.95   46.542  1107.40   62.117   1085.86   70.277   54.942  1.5425 54.397  1.7626 0.5455360      2.342244  
1 1 1 5  14 7  o 16.214  0.4492 96.354    5.3378  96.126    8.9738   96.479    6.6403   16.193  0.7561 16.224  0.5584 -0.3066063E-01 0.9399086 
1 1 1 5  14 8  o 96.578  1.8873 3423.78   133.596 3462.41   220.789  3401.47   167.800  96.988  3.1059 96.217  2.3794 0.7707062      3.912500  
1 1 1 5  14 9  o 45.090  0.9709 745.425   32.088  769.343   50.715   729.458   41.437   45.794  1.5109 44.598  1.2676 1.195847       1.972265  
1 1 1 5  14 10 o 100.275 2.2652 3693.91   166.488 3763.57   293.709  3660.93   202.091  100.963 3.9689 99.767  2.7636 1.195900       4.836343  
1 1 1 5  14 11 o 61.133  1.2146 1370.62   54.424  1416.00   91.558   1345.82   67.679   62.098  2.0116 60.565  1.5246 1.533066       2.524041  
1 1 1 5  14 12 o 21.113  0.5257 163.379   8.1348  166.902   13.635   161.432   10.137   21.336  0.8718 20.986  0.6590 0.3508129      1.092888  
1 1 1 5  14 13 o 69.234  1.3719 1758.50   69.619  1738.50   112.550  1770.90   88.603   68.780  2.2326 69.455  1.7405 -0.6756516     2.830815  
1 1 1 5  14 14 o 83.400  1.6427 2553.18   100.418 2735.46   151.321  2409.74   134.235  86.248  2.3937 80.965  2.2620 5.282898       3.293375  
1 1 1 5  14 15 o 40.040  0.8906 587.845   26.137  600.489   35.064   572.036   39.209   40.460  1.1824 39.484  1.3548 0.9759521      1.798209  
1 1 1 5  14 16 o 66.469  1.5266 1622.14   74.374  1662.59   107.695  1585.27   102.836  67.227  2.1856 65.651  2.1371 1.576340       3.056798  
1 1 1 5  14 17 o 18.002  0.6444 118.809   8.5027  124.121   12.982   114.818   11.252   18.370  0.9676 17.694  0.8676 0.6757717      1.299596  
1 1 1 5  14 18 o 45.842  0.9395 770.935   31.567  811.229   46.642   736.881   42.879   46.999  1.3540 44.797  1.3059 2.202194       1.881115  
1 1 1 5  14 19 o 12.911  0.5496 61.122    5.2016  69.997    7.4798   52.810    7.2384   13.795  0.7425 11.969  0.8302 1.825178       1.113795  
1 1 1 5  14 20 o 40.027  0.8419 587.948   24.699  617.325   36.327   562.691   33.683   40.986  1.2092 39.134  1.1743 1.852646       1.685586  
1 1 1 5  14 21 o 30.311  0.6823 337.052   15.158  346.051   21.839   328.687   21.057   30.697  0.9707 29.917  0.9603 0.7793713      1.365381  
1 1 1 5  14 22 o 15.680  0.5556 90.174    6.3852  75.832    8.3415   110.469   9.9231   14.351  0.7962 17.348  0.7804 -2.997191      1.114857  
1 1 1 5  14 23 o 8.2237  1.0740 25.285    6.3193  23.053    9.6984   26.932    8.3305   7.7460  1.7495 8.4392  1.3955 -0.6931968     2.237944  
1 1 1 5  14 24 o 21.104  0.5814 163.389   8.9936  162.832   12.597   163.969   12.844   21.057  0.8162 21.129  0.8293 -0.7267952E-01 1.163619  
1 1 1 5  14 25 o 42.944  0.9012 677.736   28.366  661.597   39.197   695.482   41.103   42.373  1.2621 43.439  1.2910 -1.066109      1.805374  
1 1 1 5  14 26 o 22.109  0.5891 179.380   9.5461  172.121   13.204   187.331   13.818   21.642  0.8324 22.577  0.8350 -0.9357471     1.179013  
1 1 1 5  14 27 o 22.241  0.5997 181.612   9.7766  164.923   12.952   203.712   14.905   21.176  0.8345 23.532  0.8642 -2.355936      1.201288  
1 1 1 5  14 28 o 33.356  0.7504 409.093   18.346  387.433   24.659   435.942   27.455   32.413  1.0379 34.371  1.0898 -1.958378      1.504987  
1 1 1 5  15 0  o 77.865  2.1713 2229.53   123.701 2297.63   147.088  2065.01   228.635  78.999  2.5462 74.562  4.2143 -0.000000      0.000000  
1 1 1 5  15 1  o 110.364 2.4865 4476.42   201.139 4505.62   286.461  4448.03   282.488  110.565 3.5348 109.861 3.5081 0.7042923      4.980164  
1 1 1 5  15 2  o 133.029 2.9989 6512.30   292.411 6512.10   413.247  6512.50   413.816  132.753 4.2470 132.756 4.2528 -0.2639771E-02 6.010271  
1 1 1 5  15 3  o 29.736  0.7963 324.158   17.356  314.509   22.030   339.946   28.181   29.288  1.0262 30.445  1.2629 -1.157536      1.627262  
1 1 1 5  15 4  o 187.540 4.6509 13020.01  639.307 13024.15  825.269  13013.80  1010.97  186.937 6.0231 186.065 7.4130 0.8718109      9.551429  
1 1 1 5  15 5  o 112.678 2.5407 4667.32   209.830 4523.29   287.837  4830.67   306.534  110.765 3.5454 114.445 3.6543 -3.680511      5.091503  
1 1 1 5  15 6  o 87.055  1.9689 2782.58   125.633 2755.59   176.402  2810.37   178.971  86.551  2.7807 87.406  2.7936 -0.8545761     3.941604  
1 1 1 5  15 7  o 20.575  0.5022 155.166   7.5741  154.655   12.603   155.456   9.4762   20.539  0.8372 20.594  0.6278 -0.5462456E-01 1.046421  
1 1 1 5  15 8  o 29.817  0.6387 325.892   13.958  332.413   23.280   322.232   17.441   30.109  1.0549 29.648  0.8026 0.4611778      1.325490  
1 1 1 5  15 9  o 25.742  0.6565 242.911   12.387  243.294   21.826   242.730   15.044   25.757  1.1561 25.732  0.7977 0.2527046E-01  1.404610  
1 1 1 5  15 10 o 46.245  1.0740 784.222   36.403  851.134   68.007   757.351   43.097   48.144  1.9272 45.439  1.2940 2.705212       2.321325  
1 1 1 5  15 11 o 49.720  0.9973 906.474   36.343  908.072   59.673   905.531   45.821   49.740  1.6368 49.686  1.2582 0.5426407E-01  2.064495  
1 1 1 5  15 12 o 81.237  1.5963 2422.32   95.051  2429.53   155.964  2418.06   119.889  81.253  2.6188 81.129  2.0162 0.1238785      3.305008  
1 1 1 5  15 13 o 94.853  1.8604 3304.61   129.341 3392.82   216.480  3255.64   161.295  95.924  3.0790 94.086  2.3389 1.837868       3.866625  
1 1 1 5  15 14 o 89.465  1.7583 2939.99   115.296 2974.96   190.919  2919.92   144.652  89.820  2.9000 89.099  2.2150 0.7201920      3.649128  
1 1 1 5  15 15 o 41.695  0.8603 637.539   26.292  628.414   36.669   647.192   37.717   41.383  1.2089 41.996  1.2253 -0.6130257     1.721310  
1 1 1 5  15 16 o 37.147  0.9132 506.131   24.864  538.707   45.983   492.670   29.559   38.288  1.6386 36.642  1.1006 1.645084       1.973853  
1 1 1 5  15 17 o 20.252  0.6710 150.399   9.9602  148.075   14.613   152.416   13.612   20.089  0.9924 20.383  0.9111 -0.2942638     1.347244  
1 1 1 5  15 18 o 34.835  0.7498 445.098   19.144  433.662   26.431   457.719   27.766   34.370  1.0492 35.309  1.0729 -0.9390831     1.500598  
1 1 1 5  15 19 o 6.0501  0.9179 13.741    3.9428  13.632    5.4001   13.865    5.7701   5.9767  1.2718 6.0225  1.3415 -0.4578447E-01 1.848529  
1 1 1 5  15 20 o 32.886  0.7176 396.824   17.298  388.677   23.989   405.648   24.966   32.528  1.0062 33.229  1.0251 -0.7010498     1.436394  
1 1 1 5  15 21 o 45.416  0.9393 757.748   31.267  738.475   42.981   779.412   45.568   44.783  1.3094 46.001  1.3515 -1.217464      1.881785  
1 1 1 5  15 22 o 39.657  0.8382 577.557   24.363  571.247   34.120   584.121   34.798   39.399  1.1815 39.839  1.1917 -0.4400635     1.678146  
1 1 1 5  15 23 o 32.202  2.0810 386.888   48.855  0.0000    0.0000   386.888   48.855   ?       ?      32.202  2.0810 0.000000       2.081019  
1 1 1 5  15 24 o 28.988  0.6729 308.446   14.298  326.962   21.038   292.552   19.491   29.821  0.9625 28.210  0.9427 1.610924       1.347252  
1 1 1 5  15 25 f 15.875  0.5753 92.485    6.6943  102.421   9.8689   84.017    9.1109   16.695  0.8065 15.098  0.8265 1.597590       1.154746  
1 1 1 5  15 26 o 29.415  0.8851 318.356   19.084  333.695   31.859   309.772   23.832   30.017  1.4481 28.982  1.1219 1.035288       1.831829  
1 1 1 5  15 27 o 42.676  0.9133 670.730   28.568  722.636   42.866   629.257   38.317   44.178  1.3238 41.243  1.2675 2.935570       1.832789  
1 1 1 5  15 28 o 13.290  0.6909 65.092    6.7070  65.747    9.4450   64.426    9.5259   13.320  0.9742 13.182  0.9932 0.1380205      1.391222  
1 1 1 5  16 0  o 208.402 5.7906 16090.79  882.973 16885.74  1849.74  15856.19  1004.85  209.746 12.125 206.516 6.6541 0.000000       0.000000  
1 1 1 5  16 1  o 124.664 2.8098 5718.81   256.744 5775.33   366.595  5664.40   359.686  125.018 4.0007 123.821 3.9632 1.196960       5.631382  
1 1 1 5  16 2  o 18.815  0.5875 129.753   8.1015  119.657   10.278   146.323   13.166   18.067  0.7761 19.977  0.8991 -1.910852      1.187788  
1 1 1 5  16 3  o 54.458  1.3670 1087.91   54.564  1125.29   62.971   975.296   109.304  55.378  1.5514 51.392  2.9137 3.985233       3.301010  
1 1 1 5  16 4  o 19.842  0.6089 144.314   8.8556  138.579   11.338   153.289   14.182   19.442  0.7956 20.447  0.9463 -1.004484      1.236303  
1 1 1 5  16 5  f 29.935  0.7327 328.490   16.075  316.559   22.277   341.453   23.221   29.382  1.0344 30.515  1.0382 -1.133345      1.465557  
1 1 1 5  16 6  o 75.409  1.7093 2087.26   94.473  2086.94   133.816  2087.59   133.396  75.343  2.4232 75.356  2.4152 -0.1266479E-01 3.421224  
1 1 1 5  16 7  o 148.915 3.1102 8169.97   339.472 7916.87   502.755  8382.07   460.231  146.100 4.6949 150.520 4.1716 -4.419998      6.280469  
1 1 1 5  16 8  o 105.738 2.0662 4107.39   160.133 4134.67   263.590  4091.44   201.600  105.871 3.3968 105.457 2.6082 0.4139938      4.282616  
1 1 1 5  16 9  o 109.572 2.4786 4416.18   199.062 4158.10   324.616  4571.71   252.007  105.965 4.1795 111.373 3.0871 -5.407478      5.196017  
1 1 1 5  16 10 o 24.667  0.5623 223.042   10.166  213.233   16.276   229.317   13.018   24.115  0.9208 25.011  0.7101 -0.8956966     1.162838  
1 1 1 5  16 11 f 32.493  0.6884 387.045   16.396  391.389   27.302   384.595   20.505   32.666  1.1403 32.387  0.8638 0.2787895      1.430549  
1 1 1 5  16 12 o 32.176  0.6911 379.554   16.299  375.600   26.523   381.954   20.660   31.999  1.1308 32.274  0.8734 -0.2756252     1.428838  
1 1 1 5  16 13 o 86.556  1.6995 2752.33   107.820 2675.97   171.531  2802.21   138.631  85.181  2.7474 87.271  2.1672 -2.089981      3.499295  
1 1 1 5  16 14 o 51.287  1.0317 964.962   38.782  1008.77   66.118   941.984   47.884   52.389  1.7219 50.657  1.2896 1.731689       2.151272  
1 1 1 5  16 15 o 79.881  1.5757 2345.05   92.257  2385.03   153.051  2322.23   115.625  80.367  2.5982 79.427  1.9861 0.9407501      3.270386  
1 1 1 5  16 16 o 33.779  0.8365 418.558   20.710  425.994   29.731   411.548   28.866   34.061  1.1909 33.479  1.1763 0.5816994      1.673909  
1 1 1 5  16 17 o 52.841  1.2306 1025.91   47.663  1013.26   66.348   1039.40   68.517   52.449  1.7259 53.116  1.7599 -0.6668587     2.464945  
1 1 1 5  16 18 o 25.321  0.6006 235.149   11.146  245.981   16.214   225.444   15.347   25.888  0.8545 24.784  0.8448 1.103785       1.201634  
1 1 1 5  16 19 o 41.077  0.8583 619.512   25.843  595.551   35.126   647.786   38.156   40.241  1.1909 41.963  1.2406 -1.721390      1.719653  
1 1 1 5  16 20 o 16.863  0.5385 104.306   6.6564  105.720   9.4269   102.900   9.4002   16.970  0.7579 16.742  0.7660 0.2281837      1.077583  
1 1 1 5  16 21 o 27.826  0.6472 284.135   13.199  283.295   18.514   285.003   18.823   27.767  0.9097 27.850  0.9221 -0.8257675E-01 1.295312  
1 1 1 5  16 22 o 46.451  0.9594 793.246   32.665  775.203   45.098   813.158   47.376   45.852  1.3419 46.953  1.3766 -1.101570      1.922443  
1 1 1 5  16 23 o 33.233  1.5674 408.415   38.179  345.603   47.216   527.062   64.892   30.385  2.1336 37.466  2.3753 -7.081432      3.192881  
1 1 1 5  16 24 o 23.733  0.6112 206.742   10.632  207.086   15.021   206.396   15.051   23.734  0.8634 23.694  0.8666 0.3988838E-01  1.223365  
1 1 1 5  16 25 o 24.291  0.6173 216.659   10.990  213.093   15.301   220.460   15.796   24.067  0.8674 24.478  0.8804 -0.4111023     1.235941  
1 1 1 5  16 26 f 19.849  0.5912 144.697   8.6008  146.559   12.101   142.797   12.227   19.956  0.8273 19.697  0.8469 0.2597446      1.183914  
1 1 1 5  16 27 o 39.043  0.8435 561.277   24.139  548.418   33.331   575.460   35.005   38.507  1.1810 39.435  1.2111 -0.9286270     1.691550  
1 1 1 5  17 0  o 34.627  1.1667 441.099   29.535  0.0000    0.0000   441.099   29.535   34.627  1.1667 34.627  1.1667 0.000000       0.000000  
1 1 1 5  17 1  o 126.006 2.8432 5845.91   262.590 5973.35   379.549  5728.91   363.676  127.061 4.0754 124.459 3.9866 2.601456       5.701097  
1 1 1 5  17 2  f 107.457 2.6556 4249.01   209.163 4256.34   234.286  4220.22   464.271  107.494 2.9736 106.054 5.9972 1.440353       6.693911  
1 1 1 5  17 3  o 118.821 2.6801 5195.87   233.410 5252.54   333.851  5141.69   326.456  119.210 3.8208 117.957 3.7759 1.252899       5.371804  
1 1 1 5  17 4  o 71.599  1.6241 1881.71   85.233  1868.30   119.838  1895.43   121.250  71.288  2.2935 71.803  2.3039 -0.5146713     3.250832  
1 1 1 5  17 5  o 42.618  0.9975 666.053   31.160  684.156   39.207   635.012   51.341   43.187  1.2386 41.590  1.6842 1.596432       2.090596  
1 1 1 5  17 6  o 38.603  0.9129 546.417   25.829  547.222   36.864   545.641   36.201   38.621  1.3023 38.566  1.2807 0.5513382E-01  1.826476  
1 1 1 5  17 7  o 26.721  0.6802 261.755   13.323  264.210   19.553   259.628   18.202   26.842  0.9938 26.609  0.9333 0.2327423      1.363356  
1 1 1 5  17 8  o 64.516  1.2784 1527.09   60.454  1572.47   101.458  1502.11   75.277   65.404  2.1164 63.965  1.6056 1.438541       2.656541  
1 1 1 5  17 9  o 115.438 2.8611 4912.33   242.078 4485.44   494.207  5047.08   277.670  108.971 6.2132 116.914 3.2403 -7.942726      7.007396  
1 1 1 5  17 10 o 27.627  0.6045 279.797   12.242  286.406   20.619   276.199   15.213   27.944  1.0067 27.447  0.7562 0.4977627      1.259073  
1 1 1 5  17 11 o 37.612  0.7777 518.727   21.440  495.471   33.925   534.194   27.666   36.744  1.2597 38.163  0.9891 -1.418880      1.601566  
1 1 1 5  17 12 o 26.598  0.6007 259.363   11.710  248.587   18.880   266.101   14.929   26.032  0.9895 26.939  0.7561 -0.9068985     1.245291  
1 1 1 5  17 13 o 64.021  1.2706 1504.84   59.621  1509.52   97.764   1502.08   75.230   64.022  2.0834 63.928  1.6055 0.9455109E-01  2.630243  
1 1 1 5  17 14 o 24.800  0.5790 225.504   10.526  234.810   17.943   220.621   12.997   25.297  0.9677 24.527  0.7229 0.7696648      1.207930  
1 1 1 5  17 15 o 25.122  0.5811 231.417   10.700  234.623   17.784   229.597   13.395   25.284  0.9596 25.019  0.7304 0.2646294      1.206007  
1 1 1 5  17 16 o 17.382  0.6061 110.810   7.7219  116.873   12.612   107.174   9.7665   17.816  0.9695 17.091  0.7796 0.7245884      1.244077  
1 1 1 5  17 17 o 45.165  1.1819 750.011   39.126  721.675   60.186   770.751   51.491   44.198  1.8579 45.734  1.5361 -1.536057      2.410659  
1 1 1 5  17 18 o 4.5788  1.0777 8.0173    3.5569  8.7407    4.7700   7.1113    5.3381   4.7983  1.3165 4.4579  1.4367 0.3404360      1.948653  
1 1 1 5  17 19 o 46.223  0.9479 785.203   32.113  773.539   44.696   797.648   46.169   45.815  1.3310 46.520  1.3540 -0.7040253     1.898672  
1 1 1 5  17 20 o 49.376  1.2887 898.442   46.638  847.761   70.314   938.254   62.320   47.774  2.0080 50.358  1.6884 -2.583687      2.623512  
1 1 1 5  17 21 o 26.837  0.6350 264.324   12.490  275.398   18.094   254.247   17.261   27.373  0.9019 26.301  0.8954 1.071577       1.270888  
1 1 1 5  17 22 o 41.941  0.8797 646.596   27.043  652.458   38.444   640.854   38.048   42.067  1.2468 41.692  1.2451 0.3754196      1.762051  
1 1 1 5  17 23 o 28.090  0.7138 289.811   14.696  288.561   19.165   291.595   22.895   28.007  0.9336 28.131  1.1103 -0.1246376     1.450685  
1 1 1 5  17 24 o 19.451  0.6162 138.940   8.7849  138.683   11.468   139.305   13.666   19.420  0.8057 19.449  0.9587 -0.2970314E-01 1.252269  
1 1 1 5  17 25 f 1.9334  0.9330 -6.2517   3.9707  -9.3896   5.4165   -2.6065   5.8379   2.1950  1.0664 2.9340  1.3146 -0.7390151     1.692769  
1 1 1 5  17 26 o 12.327  0.6228 55.984    5.6091  57.236    7.8667   54.691    7.9998   12.434  0.8686 12.148  0.9049 0.2861748      1.254363  
1 1 1 5  18 0  o 99.289  3.1915 3636.75   231.716 0.0000    0.0000   3636.75   231.716  99.289  3.1915 99.289  3.1915 0.000000       0.000000  
1 1 1 5  18 1  o 99.135  2.4564 3616.85   178.491 3673.94   234.151  3537.67   275.774  99.768  3.2020 97.746  3.8492 2.022171       5.006925  
1 1 1 5  18 2  o 83.665  1.8968 2571.85   116.317 2568.08   142.331  2579.43   201.831  83.551  2.3242 83.575  3.2948 -0.2417755E-01 4.032061  
1 1 1 5  18 3  o 20.442  0.6228 153.189   9.3316  165.039   16.254   147.362   11.397   21.213  1.0454 20.048  0.7756 1.164629       1.301679  
1 1 1 5  18 4  o 76.043  1.5987 2123.12   89.106  2095.21   134.341  2145.06   119.067  75.450  2.4292 76.380  2.1268 -0.9303818     3.228697  
1 1 1 5  18 5  o 56.940  1.2052 1189.47   50.300  1155.32   75.007   1217.38   67.807   56.078  1.8249 57.580  1.6067 -1.502239      2.431346  
1 1 1 5  18 6  o 87.097  1.9785 2788.43   126.306 2700.32   149.902  3004.13   234.530  85.652  2.3877 90.105  3.5511 -4.453117      4.279249  
1 1 1 5  18 7  o 20.400  0.6453 152.565   9.6480  145.626   12.462   162.947   15.243   19.928  0.8532 21.078  0.9867 -1.149780      1.304380  
1 1 1 5  18 8  o 85.160  1.9304 2666.42   120.496 2757.78   216.074  2625.18   145.163  86.312  3.4155 84.435  2.3456 1.876915       4.143353  
1 1 1 5  18 9  o 54.499  1.3687 1090.46   54.676  1048.59   117.024  1102.15   61.840   53.177  3.0148 54.778  1.5402 -1.600300      3.385449  
1 1 1 5  18 10 o 58.252  1.1591 1245.37   49.489  1337.91   86.670   1200.60   60.283   60.297  1.9611 57.173  1.4385 3.123455       2.432113  
1 1 1 5  18 11 o 70.409  1.3888 1820.98   71.672  1780.17   114.744  1847.09   91.778   69.486  2.2529 70.862  1.7670 -1.375931      2.863238  
1 1 1 5  18 12 o 48.620  0.9790 867.416   34.887  869.067   57.292   866.442   43.981   48.613  1.6079 48.574  1.2353 0.3928757E-01  2.027650  
1 1 1 5  18 13 o 48.273  0.9738 855.280   34.456  868.109   57.236   847.989   43.151   48.572  1.6077 48.046  1.2253 0.5257225      2.021402  
1 1 1 5  18 14 o 21.401  0.5328 167.943   8.3580  164.882   13.813   169.711   10.498   21.195  0.8891 21.511  0.6658 -0.3151245     1.110809  
1 1 1 5  18 15 o 37.654  0.7847 520.316   21.656  520.471   35.555   520.224   27.306   37.616  1.2896 37.635  0.9899 -0.1959610E-01 1.625692  
1 1 1 5  18 16 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 5  18 17 o 16.996  0.6311 105.983   7.8619  111.959   14.836   103.650   9.2704   17.404  1.1698 16.803  0.7527 0.6010876      1.391050  
1 1 1 5  18 18 o 63.117  1.2627 1467.94   58.417  1413.04   92.126   1504.86   75.547   61.658  2.0385 63.796  1.6156 -2.138107      2.601101  
1 1 1 5  18 19 o 45.741  0.9407 769.229   31.539  776.954   44.914   761.715   44.298   45.897  1.3351 45.445  1.3299 0.4511948      1.884430  
1 1 1 5  18 20 o 17.595  0.5373 113.590   6.9299  109.745   9.5300   117.904   10.095   17.286  0.7522 17.916  0.7688 -0.6301594     1.075527  
1 1 1 5  18 21 o 14.559  0.5446 77.773    5.8110  83.646    8.2469   71.982    8.1893   15.090  0.7456 13.973  0.8030 1.117063       1.095767  
1 1 1 5  18 22 o 35.020  1.0599 451.806   27.206  459.944   38.289   443.507   38.666   35.245  1.4821 34.600  1.5247 0.6457748      2.126336  
1 1 1 5  18 23 o 24.727  0.6165 224.555   11.174  234.446   16.154   215.479   15.474   25.239  0.8732 24.197  0.8725 1.042358       1.234402  
1 1 1 5  18 24 o 14.615  0.7077 78.538    7.5814  81.536    11.226   76.024    10.280   14.827  1.0395 14.324  0.9852 0.5035868      1.432183  
1 1 1 5  18 25 o 11.131  0.6956 45.747    5.6465  50.863    7.4837   38.985    8.6036   11.715  0.8780 10.197  1.1725 1.518047       1.464775  
1 1 1 5  19 0  o 4.2924  1.5819 9.0381    4.6074  9.0381    4.6074   0.0000    0.0000   4.2924  1.5819 4.2924  1.5819 -0.000000      0.000000  
1 1 1 5  19 1  o 59.193  1.4790 1286.50   64.169  1269.75   70.889   1362.49   150.995  58.793  1.6450 60.576  3.4148 -1.782455      3.790333  
1 1 1 5  19 2  o 94.465  1.9767 3281.53   136.865 3287.09   181.422  3274.18   208.504  94.423  2.6214 94.144  3.0216 0.2781982      4.000238  
1 1 1 5  19 3  o 54.141  1.0742 1075.36   42.629  1098.77   71.368   1062.37   53.154   54.678  1.7808 53.797  1.3480 0.8806419      2.233452  
1 1 1 5  19 4  o 31.113  0.6492 354.903   14.804  363.540   25.002   350.240   18.371   31.479  1.0836 30.905  0.8110 0.5737724      1.353522  
1 1 1 5  19 5  o 120.975 2.3681 5392.84   209.976 5335.81   340.203  5427.93   266.874  119.788 3.8748 121.167 3.0050 -1.379303      4.903437  
1 1 1 5  19 6  o 37.415  0.8191 513.396   22.463  531.869   35.822   501.425   28.837   38.063  1.2840 36.968  1.0642 1.095516       1.667703  
1 1 1 5  19 7  o 75.441  1.5869 2091.65   87.746  2104.16   116.945  2075.54   132.732  75.584  2.1109 75.010  2.4142 0.5732956      3.206924  
1 1 1 5  19 8  o 92.698  2.5829 3174.50   175.494 3225.80   252.487  3126.55   244.097  93.053  3.7019 91.637  3.6342 1.415703       5.187656  
1 1 1 5  19 9  o 74.121  2.0746 2024.79   112.706 1847.82   207.369  2098.98   134.268  70.146  4.0505 75.388  2.4299 -5.241806      4.723498  
1 1 1 5  19 10 o 52.427  1.0489 1008.90   40.304  970.335   63.685   1034.67   52.056   51.349  1.6921 53.065  1.3384 -1.716167      2.157409  
1 1 1 5  19 11 o 55.201  1.1010 1118.99   44.546  1136.25   74.047   1109.19   55.766   55.528  1.8193 54.927  1.3852 0.6014977      2.286641  
1 1 1 5  19 12 o 56.793  1.6120 1188.00   67.103  1202.51   96.410   1174.37   93.454   56.989  2.3081 56.330  2.2635 0.6597519      3.232732  
1 1 1 5  19 13 o 14.271  0.4701 74.678    4.9177  70.457    7.9894   77.253    6.2399   13.833  0.7913 14.513  0.5866 -0.6800261     0.9849769 
1 1 1 5  19 14 o 64.358  1.2798 1524.60   60.371  1484.78   96.319   1550.36   77.478   63.287  2.0764 64.811  1.6310 -1.524178      2.640377  
1 1 1 5  19 15 o 42.610  0.8761 666.922   27.362  667.963   44.974   666.310   34.477   42.559  1.4417 42.561  1.1052 -0.1911163E-02 1.816591  
1 1 1 5  19 16 o 42.534  1.1114 665.813   34.648  735.727   82.800   650.972   38.148   44.245  2.5642 42.037  1.2381 2.208199       2.847494  
1 1 1 5  19 17 o 17.744  0.6027 115.548   7.8393  121.319   11.386   110.345   10.810   18.170  0.8549 17.329  0.8511 0.8410206      1.206323  
1 1 1 5  19 18 o 30.044  0.7109 331.448   15.654  319.118   23.371   341.482   21.083   29.441  1.0830 30.472  0.9440 -1.030983      1.436675  
1 1 1 5  19 19 o 25.005  0.5944 229.477   10.894  223.391   17.637   233.230   13.852   24.640  0.9766 25.197  0.7501 -0.5575142     1.231385  
1 1 1 5  19 20 o 37.136  0.7935 506.849   21.599  512.815   30.871   501.128   30.229   37.300  1.1292 36.875  1.1185 0.4254990      1.589328  
1 1 1 5  19 21 o 55.062  1.1181 1118.16   45.126  1122.91   63.923   1113.44   63.712   55.003  1.5856 54.770  1.5871 0.2330360      2.243397  
1 1 1 5  19 22 o 27.744  0.8199 283.237   16.673  303.968   26.372   269.434   21.519   28.663  1.2553 27.018  1.0866 1.645113       1.660279  
1 1 1 5  19 23 o 23.777  0.6112 207.744   10.651  204.061   14.765   211.739   15.379   23.535  0.8559 23.971  0.8753 -0.4357967     1.224247  
1 1 1 5  19 24 o 16.091  0.7684 95.338    9.0627  90.480    15.203   98.016    11.288   15.545  1.3477 16.268  0.9508 -0.7234793     1.649295  
1 1 1 5  20 0  o 27.034  1.6237 271.147   31.908  0.0000    0.0000   271.147   31.908   27.034  1.6237 27.034  1.6237 0.000000       0.000000  
1 1 1 5  20 1  o 14.835  0.4794 80.675    5.2122  79.953    6.3879   82.111    9.0155   14.767  0.5902 14.939  0.8266 -0.1721172     1.015623  
1 1 1 5  20 2  o 37.572  0.7630 517.721   21.012  531.307   35.323   510.280   26.140   38.037  1.2670 37.293  0.9563 0.7441597      1.587348  
1 1 1 5  20 3  o 53.974  1.0715 1069.20   42.391  1076.81   69.826   1064.76   53.346   54.099  1.7610 53.839  1.3518 0.2600861      2.220014  
1 1 1 5  20 4  o 62.580  1.2347 1438.08   56.634  1458.65   93.975   1426.35   70.970   62.917  2.0378 62.287  1.5545 0.6299706      2.563028  
1 1 1 5  20 5  o 8.8221  0.4686 28.612    3.0193  25.811    5.7007   29.704    3.5596   8.3332  0.9503 8.9846  0.5431 -0.6514368     1.094561  
1 1 1 5  20 6  o 54.072  1.0746 1073.30   42.590  1067.91   69.638   1076.52   53.831   53.860  1.7640 54.126  1.3569 -0.2660103     2.225488  
1 1 1 5  20 7  o 16.241  0.6730 96.733    8.0113  92.341    9.4128   108.276   15.260   15.845  0.8133 17.125  1.2238 -1.280718      1.469349  
1 1 1 5  20 8  o 22.185  0.5995 180.482   9.7482  176.208   14.061   184.438   13.527   21.913  0.8754 22.421  0.8231 -0.5076542     1.201634  
1 1 1 5  20 9  o 33.263  1.1537 406.534   28.129  430.249   52.255   396.859   33.377   34.055  2.1038 32.846  1.3864 1.208393       2.519533  
1 1 1 5  20 10 o 31.144  0.7729 355.928   17.643  345.126   31.018   361.093   21.450   30.624  1.3819 31.360  0.9332 -0.7357655     1.667465  
1 1 1 5  20 11 o 38.558  0.7958 545.698   22.492  515.050   35.240   566.764   29.216   37.412  1.2851 39.275  1.0149 -1.863422      1.637535  
1 1 1 5  20 12 o 12.682  0.4589 58.975    4.2659  60.514    7.2589   58.163    5.2724   12.816  0.7764 12.592  0.5713 0.2234983      0.9639509 
1 1 1 5  20 13 o 35.042  0.7388 450.803   18.975  460.845   31.824   445.264   23.637   35.376  1.2274 34.809  0.9264 0.5671577      1.537761  
1 1 1 5  20 14 o 33.921  0.7198 422.457   17.896  433.113   30.106   416.633   22.255   34.292  1.1978 33.670  0.9018 0.6224937      1.499299  
1 1 1 5  20 15 o 24.669  0.5823 223.330   10.528  227.912   17.827   220.876   13.046   24.891  0.9771 24.524  0.7258 0.3667145      1.217194  
1 1 1 5  20 16 o 38.921  0.8696 556.875   24.807  551.760   37.955   560.689   32.777   38.659  1.3395 39.009  1.1464 -0.3498001     1.763054  
1 1 1 5  20 17 o 17.727  0.5088 115.301   6.6107  111.287   10.846   117.673   8.3387   17.398  0.8505 17.903  0.6355 -0.5047188     1.061682  
1 1 1 5  20 18 o 24.410  0.7669 218.965   13.722  236.331   23.693   210.200   16.832   25.265  1.2836 23.898  0.9609 1.367525       1.603474  
1 1 1 5  20 19 o 17.941  0.5204 118.125   6.8438  128.382   11.759   112.872   8.4160   18.682  0.8588 17.531  0.6550 1.151348       1.080020  
1 1 1 5  20 20 o 52.811  1.0745 1028.79   41.592  1026.94   68.095   1029.89   52.529   52.474  1.7705 52.737  1.3590 -0.2637100     2.231908  
1 1 1 5  20 21 o 21.980  0.5722 177.441   9.2176  173.966   15.027   179.537   11.671   21.722  0.9438 22.095  0.7207 -0.3726330     1.187513  
1 1 1 5  20 22 o 13.214  0.6517 64.207    6.3121  67.001    9.9843   62.347    8.1468   13.429  1.0221 12.978  0.8614 0.4511328      1.336619  
1 1 1 5  20 23 o 23.822  0.6035 208.621   10.538  211.995   14.957   205.296   14.848   23.976  0.8511 23.593  0.8586 0.3831863      1.208990  
1 1 1 5  21 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 5  21 1  o 35.486  1.1925 462.623   31.016  462.623   31.016   0.0000    0.0000   35.486  1.1925 ?       ?      0.000000       1.192490  
1 1 1 5  21 2  o 65.936  1.5023 1599.65   72.603  1599.40   102.745  1599.91   102.606  65.799  2.1304 65.811  2.1271 -0.1124573E-01 3.010527  
1 1 1 5  21 3  o 67.372  1.3270 1668.81   65.531  1701.52   109.235  1650.42   81.906   67.840  2.1968 66.937  1.6694 0.9025650      2.759185  
1 1 1 5  21 4  o 24.494  0.5391 219.991   9.6777  213.752   15.852   223.698   12.219   24.132  0.8962 24.695  0.6751 -0.5632839     1.122008  
1 1 1 5  21 5  o 51.443  1.0241 971.948   38.614  954.049   62.299   983.114   49.206   50.877  1.6706 51.704  1.2984 -0.8273964     2.115847  
1 1 1 5  21 6  o 20.329  0.4847 151.540   7.2221  139.946   11.853   158.385   9.1080   19.527  0.8282 20.781  0.5980 -1.254040      1.021481  
1 1 1 5  21 7  o 26.634  0.5791 260.183   11.306  250.484   18.607   265.860   14.235   26.114  0.9721 26.917  0.7215 -0.8031807     1.210628  
1 1 1 5  21 8  o 37.707  0.8953 522.164   24.745  531.166   44.670   518.179   29.723   37.943  1.6062 37.545  1.0801 0.3976402      1.935601  
1 1 1 5  21 9  o 33.061  0.7452 401.222   18.058  384.240   23.354   426.476   28.479   32.334  0.9854 34.049  1.1411 -1.714512      1.507704  
1 1 1 5  21 10 o 24.920  0.6552 227.901   11.967  220.202   16.679   236.067   17.179   24.478  0.9296 25.345  0.9247 -0.8668098     1.311243  
1 1 1 5  21 11 o 41.685  0.9888 638.969   30.211  588.942   49.484   668.693   38.144   39.889  1.6925 42.605  1.2215 -2.716183      2.087264  
1 1 1 5  21 12 o 19.122  0.4906 134.132   6.8761  135.446   11.565   133.413   8.5519   19.200  0.8218 19.066  0.6120 0.1338520      1.024579  
1 1 1 5  21 13 o 16.671  0.4747 101.949   5.8004  98.244    9.5213   104.136   7.3144   16.351  0.7944 16.844  0.5924 -0.4931221     0.9910199 
1 1 1 5  21 14 o 17.479  0.4900 112.078   6.2774  108.794   10.397   113.962   7.8744   17.204  0.8245 17.620  0.6097 -0.4157257     1.025500  
1 1 1 5  21 15 o 55.488  1.2858 1136.99   52.296  1126.74   89.914   1142.23   64.289   54.817  2.2379 55.508  1.5801 -0.6915207     2.739496  
1 1 1 5  21 16 o 20.744  0.5343 157.918   8.1234  159.226   13.536   157.182   10.156   20.804  0.8877 20.687  0.6698 0.1169643      1.111999  
1 1 1 5  21 17 o 24.209  0.5833 215.163   10.349  237.182   18.344   204.881   12.535   25.376  0.9862 23.612  0.7243 1.763968       1.223617  
1 1 1 5  21 18 o 4.4053  1.1708 7.4195    3.8449  12.026    5.1206   1.4655    5.8217   5.5927  1.2772 3.4727  1.4263 2.120008       1.914592  
1 1 1 5  21 19 o 26.021  0.6499 248.816   12.395  243.073   18.865   253.178   16.442   25.672  1.0026 26.223  0.8554 -0.5508747     1.317953  
1 1 1 5  21 20 o 4.1876  1.0843 6.7258    3.3541  4.0736    5.3479   8.4456    4.3064   3.8044  1.4233 4.6894  1.2356 -0.8849669     1.884766  
1 1 1 5  21 21 o 22.680  0.6514 189.198   10.829  175.878   18.021   196.726   13.548   21.758  1.1339 23.105  0.8000 -1.347147      1.387703  
1 1 1 5  21 22 o 22.646  0.5876 188.549   9.7539  198.197   16.762   183.610   11.994   23.150  0.9878 22.327  0.7329 0.8229294      1.229999  
1 1 1 5  22 0  o 24.056  0.8730 213.134   15.346  219.571   26.404   209.850   18.858   24.304  1.4952 23.837  1.0845 0.000000       0.000000  
1 1 1 5  22 1  o 14.494  0.5587 77.054    5.9353  59.075    9.7666   87.583    7.4738   12.632  1.0648 15.450  0.6600 -2.817639      1.252707  
1 1 1 5  22 2  o 31.287  0.6502 359.147   14.911  360.688   24.680   358.262   18.711   31.322  1.0750 31.237  0.8172 0.8452034E-01  1.350398  
1 1 1 5  22 3  o 70.499  1.3898 1831.46   71.815  1818.20   116.679  1839.56   91.120   69.922  2.2767 70.537  1.7624 -0.6152954     2.879115  
1 1 1 5  22 4  o 7.7387  0.4694 22.043    2.6497  29.734    5.2516   19.416    3.0689   8.9625  0.8081 7.2518  0.5823 1.710705       0.9960560 
1 1 1 5  22 5  o 24.825  0.5438 226.068   9.8955  228.669   16.881   224.706   12.214   24.946  0.9232 24.744  0.6735 0.2016716      1.142762  
1 1 1 5  22 6  o 24.462  0.5403 219.503   9.6867  213.161   16.159   223.061   12.102   24.084  0.9154 24.653  0.6698 -0.5689049     1.134260  
1 1 1 5  22 7  o 45.664  0.9192 766.496   30.764  744.301   49.493   780.471   39.273   44.885  1.5044 46.037  1.1639 -1.151867      1.902063  
1 1 1 5  22 8  o 50.061  1.2628 923.946   46.335  0.0000    0.0000   923.946   46.335   ?       ?      50.061  1.2628 0.000000       1.262803  
1 1 1 5  22 9  o 11.502  0.5483 48.541    4.6227  0.0000    0.0000   48.541    4.6227   ?       ?      11.502  0.5483 0.000000       0.5483348 
1 1 1 5  22 10 o 51.695  1.4612 988.435   55.364  1004.20   112.006  983.336   63.688   51.282  2.9928 51.482  1.6878 -0.2002068     3.435940  
1 1 1 5  22 11 o 14.713  0.7501 79.747    8.0627  74.951    11.238   84.834    11.574   14.221  1.0863 15.140  1.0495 -0.9190102     1.510451  
1 1 1 5  22 12 o 19.936  0.7358 146.034   10.752  131.056   23.125   150.165   12.144   18.707  1.7053 20.210  0.8199 -1.503149      1.892138  
1 1 1 5  22 13 o 25.102  0.6172 231.367   11.356  227.518   17.501   234.165   14.925   24.859  0.9605 25.237  0.8069 -0.3775711     1.254462  
1 1 1 5  22 14 o 8.3116  0.6032 25.499    3.6497  36.791    5.9405   18.652    4.6256   9.9685  0.8203 7.0604  0.9154 2.908099       1.229163  
1 1 1 5  22 15 o 22.489  0.7384 185.908   12.171  180.999   22.541   187.928   14.460   22.061  1.4013 22.597  0.8730 -0.5363255     1.651011  
1 1 1 5  22 16 o 16.422  0.5448 99.001    6.5579  87.930    9.7131   108.275   8.8900   15.432  0.8622 17.163  0.7067 -1.731222      1.114785  
1 1 1 5  22 17 o 34.640  0.7977 441.585   20.253  425.918   30.231   454.342   27.280   33.927  1.2157 35.081  1.0610 -1.153896      1.613553  
1 1 1 5  22 18 o 28.994  0.7042 309.243   14.965  305.436   22.905   312.078   19.767   28.740  1.0873 29.087  0.9272 -0.3461361     1.428983  
1 1 1 5  22 19 o 15.390  0.8409 87.590    9.4495  96.919    22.114   85.506    10.452   15.898  1.9379 15.187  0.9436 0.7108898      2.155382  
1 1 1 5  22 20 o 24.108  0.6997 214.005   12.364  247.236   23.826   201.760   14.463   25.777  1.2611 23.383  0.8439 2.393282       1.517387  
1 1 1 5  22 21 o 15.596  0.6719 89.541    7.6806  89.472    13.624   89.573    9.2994   15.466  1.2115 15.560  0.8182 -0.9450531E-01 1.461941  
1 1 1 5  23 0  o 34.520  1.0135 438.749   25.594  476.139   31.744   369.288   43.266   35.931  1.2084 31.463  1.8918 -0.000000      0.000000  
1 1 1 5  23 1  o 16.594  0.5331 101.036   6.4844  0.0000    0.0000   101.036   6.4844   ?       ?      16.594  0.5331 0.000000       0.5331167 
1 1 1 5  23 2  o 63.554  1.3458 1491.22   62.689  1480.52   95.265   1499.39   83.256   63.013  2.0626 63.549  1.7874 -0.5358238     2.729328  
1 1 1 5  23 3  o 11.798  0.3916 51.041    3.3865  44.773    5.8794   54.153    4.1426   11.017  0.7323 12.150  0.4652 -1.133590      0.8675345 
1 1 1 5  23 4  o 10.149  0.3911 37.774    2.9093  32.371    5.3484   40.045    3.4671   9.3534  0.7875 10.449  0.4527 -1.095311      0.9083204 
1 1 1 5  23 5  o 32.827  0.7906 396.000   19.023  402.659   27.856   390.180   26.042   33.052  1.1498 32.545  1.0917 0.5070229      1.585543  
1 1 1 5  23 6  o 34.098  0.7010 427.062   17.520  430.683   29.434   425.075   21.804   34.173  1.1751 33.998  0.8750 0.1756134      1.465110  
1 1 1 5  23 7  o 23.188  0.6073 197.402   10.321  199.223   15.374   195.908   13.924   23.270  0.9014 23.083  0.8230 0.1868858      1.220630  
1 1 1 5  23 8  o 19.267  0.5235 136.233   7.3932  123.722   19.897   138.237   7.9633   18.210  1.5042 19.406  0.5598 -1.195915      1.604975  
1 1 1 5  23 9  o 38.378  0.8412 541.758   23.662  531.554   36.271   549.318   31.220   37.919  1.3050 38.595  1.1036 -0.6762314     1.709134  
1 1 1 5  23 10 o 23.492  0.5342 202.564   9.1980  203.934   16.259   201.920   11.154   23.534  0.9426 23.447  0.6491 0.8761787E-01  1.144440  
1 1 1 5  23 11 o 38.196  0.7873 536.494   22.040  530.397   36.161   540.097   27.800   37.865  1.3029 38.285  0.9907 -0.4200020     1.636784  
1 1 1 5  23 12 o 15.043  0.4823 83.040    5.3182  85.786    8.8128   81.468    6.6695   15.252  0.7910 14.894  0.6110 0.3583136      0.9995103 
1 1 1 5  23 13 o 35.639  0.9641 468.096   25.185  512.941   43.953   446.173   30.731   37.121  1.6154 34.740  1.2069 2.381184       2.016453  
1 1 1 5  23 14 f 6.0650  0.6828 13.691    2.9825  12.822    4.8853   14.207    3.7657   5.7847  1.1919 6.1532  0.8583 -0.3684816     1.468763  
1 1 1 5  23 15 o 25.449  0.7992 238.413   14.908  224.839   27.219   244.230   17.819   24.527  1.5216 25.735  0.9446 -1.208099      1.790966  
1 1 1 5  23 16 f 35.733  0.7581 470.050   19.854  472.337   32.941   468.745   24.881   35.679  1.2596 35.637  0.9526 0.4193497E-01  1.579253  
1 1 1 5  23 17 o 9.2088  0.5732 31.290    3.8498  27.229    6.1610   33.891    4.9309   8.5234  1.0056 9.5690  0.7081 -1.045653      1.229833  
1 1 1 5  23 18 o 4.2320  1.0858 6.8923    3.3845  -3.5769   5.3810   13.745    4.3534   2.6769  1.2242 6.0111  1.0248 -3.334238      1.596565  
1 1 1 5  23 19 o 15.537  0.5643 88.772    6.4265  96.819    10.335   83.698    8.2060   16.163  0.8756 15.067  0.7431 1.096154       1.148417  
1 1 1 5  23 20 o 5.5486  1.1439 11.851    4.4975  11.625    10.378   11.903    4.9905   5.7642  2.0050 5.5447  1.2570 0.2195230      2.366420  
1 1 1 5  24 0  o 17.987  0.7173 119.296   9.4220  119.296   9.4220   0.0000    0.0000   17.987  0.7173 17.987  0.7173 -0.000000      0.000000  
1 1 1 5  24 1  o 46.765  0.9352 805.325   32.058  788.260   51.470   816.141   40.976   46.086  1.5237 47.009  1.1892 -0.9233246     1.932869  
1 1 1 5  24 2  o 5.7191  0.5679 12.126    2.3489  11.462    4.4162   12.388    2.7738   5.4730  1.1380 5.7686  0.6684 -0.2956071     1.319781  
1 1 1 5  24 3  o 30.291  0.9047 337.775   20.085  346.903   23.922   315.967   36.977   30.671  1.0641 29.070  1.7435 1.600780       2.042569  
1 1 1 5  24 4  o 27.202  0.8351 272.230   16.650  276.883   19.722   260.683   31.067   27.413  0.9815 26.433  1.6112 0.9801674      1.886624  
1 1 1 5  24 5  o 33.218  0.9848 406.616   23.978  413.794   28.331   388.497   45.014   33.476  1.1547 32.172  1.9177 1.304287       2.238467  
1 1 1 5  24 6  o 20.628  0.7191 156.401   10.872  151.765   12.667   169.373   21.186   20.308  0.8510 21.342  1.3615 -1.034887      1.605545  
1 1 1 5  24 7  o 8.4043  0.7477 26.174    4.5575  24.474    5.8945   28.702    7.1864   8.0848  1.0172 8.7423  1.1494 -0.6574659     1.534863  
1 1 1 5  24 8  o 45.565  1.5396 771.858   51.419  745.058   61.536   833.857   93.597   44.611  1.8820 46.567  2.7545 -1.956467      3.335984  
1 1 1 5  24 9  o 18.689  0.8594 128.597   11.772  128.597   11.772   0.0000    0.0000   18.689  0.8594 ?       ?      0.000000       0.8593770 
1 1 1 5  24 10 o 16.322  0.5236 97.812    6.2647  107.944   10.730   92.572    7.7163   17.122  0.8550 15.871  0.6633 1.250964       1.082175  
1 1 1 5  24 11 o 17.675  0.4660 114.661   6.0375  93.626    13.540   119.881   6.7451   15.868  1.1725 18.071  0.5093 -2.202209      1.278274  
1 1 1 5  24 12 f 9.7983  0.4562 35.237    3.2761  37.540    6.0715   34.291    3.8912   10.062  0.8306 9.6467  0.5526 0.4155817      0.9976874 
1 1 1 5  24 13 o 49.598  1.0043 908.570   36.511  904.578   59.886   910.932   46.061   49.160  1.6620 49.549  1.2683 -0.3891792     2.090662  
1 1 1 5  24 14 o 26.644  0.7905 261.566   15.439  239.904   24.194   276.445   20.052   25.368  1.3056 27.347  1.0003 -1.979574      1.644799  
1 1 1 5  24 15 o 11.213  0.5564 46.217    4.5728  39.314    7.4241   50.437    5.8045   10.260  0.9999 11.685  0.6807 -1.425195      1.209596  
1 1 1 5  24 16 f 20.689  0.5314 157.341   8.0584  150.497   13.139   161.468   10.203   20.179  0.8883 20.940  0.6648 -0.7615414     1.109505  
1 1 1 5  24 17 o 21.060  0.5443 163.108   8.4027  172.985   14.633   158.248   10.264   21.619  0.9235 20.725  0.6757 0.8940144      1.144241  
1 1 1 5  24 18 o 12.160  0.5262 54.365    4.6896  57.262    7.9017   52.790    5.8268   12.414  0.8740 11.952  0.6678 0.4618807      1.099937  
1 1 1 5  25 0  o 45.723  1.2993 772.313   43.466  0.0000    0.0000   772.313   43.466   45.723  1.2993 45.723  1.2993 0.000000       0.000000  
1 1 1 5  25 1  o 17.318  0.4849 110.089   6.1549  114.266   9.1201   106.595   8.3407   17.628  0.7058 17.029  0.6682 0.5990391      0.9719732 
1 1 1 5  25 2  o 42.984  2.5381 708.462   79.610  0.0000    0.0000   708.462   79.610   ?       ?      42.984  2.5381 0.000000       2.538122  
1 1 1 5  25 3  o 23.141  0.7370 196.971   12.501  204.726   15.092   180.021   22.313   23.575  0.8734 21.978  1.3923 1.597088       1.643619  
1 1 1 5  25 4  o 22.237  0.7236 181.872   11.795  184.600   14.024   175.282   21.801   22.388  0.8547 21.687  1.3786 0.7003250      1.622044  
1 1 1 5  25 5  o 24.763  0.7848 225.688   14.245  219.328   16.312   246.127   29.240   24.393  0.9123 25.653  1.5626 -1.259691      1.809423  
1 1 1 5  25 6  o 23.364  0.7619 200.874   13.047  208.883   15.825   183.876   23.055   23.804  0.9070 22.196  1.4247 1.608618       1.688910  
1 1 1 5  25 7  o 20.905  0.7176 160.761   10.996  161.073   13.048   159.995   20.426   20.910  0.8514 20.715  1.3527 0.1945686      1.598348  
1 1 1 5  25 8  o 7.0369  1.0755 18.713    5.3711  18.889    8.6467   18.603    6.8537   6.9685  1.7065 6.9552  1.3930 0.1331615E-01  2.202845  
1 1 1 5  25 9  o 11.760  0.9033 51.306    7.7270  51.306    7.7270   0.0000    0.0000   11.760  0.9033 ?       ?      0.000000       0.9033163 
1 1 1 5  25 10 o 18.075  0.7267 120.254   9.6276  111.250   11.130   147.006   19.185   17.346  0.8783 19.841  1.3269 -2.495575      1.591235  
1 1 1 5  25 11 o 15.683  0.7037 90.539    8.0894  93.318    10.117   85.611    13.471   15.880  0.8725 15.136  1.2247 0.7440729      1.503726  
1 1 1 5  25 12 o 44.382  1.3085 734.218   42.565  721.349   60.061   747.205   60.333   43.603  1.8793 44.398  1.8540 -0.7948036     2.639922  
1 1 1 5  25 13 o 12.148  0.4849 54.221    4.3175  36.092    10.675   57.766    4.7209   9.6843  1.5566 12.537  0.5138 -2.852414      1.639151  
1 1 1 5  25 14 o 24.343  0.5638 217.995   10.059  224.561   17.505   214.758   12.292   24.616  0.9702 24.138  0.6947 0.4780655      1.193306  
1 1 1 5  25 15 o 19.067  0.6676 133.984   9.3293  127.747   11.812   144.325   15.210   18.582  0.8673 19.678  1.0585 -1.096107      1.368412  
1 1 1 5  25 16 o 14.446  0.5212 76.757    5.5186  73.786    8.6001   78.836    7.1953   14.101  0.8358 14.624  0.6713 -0.5229645     1.072031  
1 1 1 5  26 0  o 6.9816  0.7342 18.486    3.6619  18.486    3.6619   0.0000    0.0000   6.9816  0.7342 6.9816  0.7342 -0.000000      0.000000  
1 1 1 5  26 1  o 13.970  0.5511 71.701    5.6433  71.701    5.6433   0.0000    0.0000   13.970  0.5511 ?       ?      0.000000       0.5511338 
1 1 1 5  26 2  o 28.241  0.8467 294.040   17.527  294.264   20.351   293.397   34.488   28.223  0.9838 27.915  1.6936 0.3075371      1.958598  
1 1 1 5  26 3  o 34.362  1.4482 440.408   36.475  440.408   36.475   0.0000    0.0000   34.362  1.4482 ?       ?      0.000000       1.448248  
1 1 1 5  26 4  f 4.0585  1.0754 6.3130    3.2503  6.4908    4.2028   6.0484    5.1268   4.1675  1.2650 4.1698  1.4106 -0.2371788E-02 1.894726  
1 1 1 5  26 5  o 7.6000  0.7157 21.450    3.9398  16.699    4.7810   31.504    6.9543   6.6460  1.0136 9.1678  1.0541 -2.521791      1.462351  
1 1 1 5  26 6  o 19.829  0.6928 144.735   10.069  151.722   12.327   130.727   17.455   20.283  0.8292 18.704  1.2809 1.578524       1.525873  
1 1 1 5  26 7  o 22.727  0.7553 190.331   12.582  191.948   14.962   186.426   23.254   22.799  0.8953 22.294  1.4306 0.5045948      1.687689  
1 1 1 5  26 8  o 13.443  0.6564 66.516    6.4674  66.959    8.0503   65.711    10.861   13.446  0.8208 13.258  1.1283 0.1878328      1.395268  
1 1 1 5  26 9  o 14.982  0.8323 83.139    9.1038  83.139    9.1038   0.0000    0.0000   14.982  0.8323 ?       ?      0.000000       0.8323390 
1 1 1 5  26 10 o 2.7695  1.1762 0.1363    4.1603  -1.0130   5.8363   1.3237    5.9321   3.1095  1.3571 3.4571  1.4318 -0.3476145     1.972765  
1 1 1 5  26 11 f 8.5689  0.8309 27.394    5.1529  22.012    6.6453   35.510    8.1607   7.5838  1.2382 9.6921  1.1726 -2.108346      1.705351  
1 1 1 5  26 12 o 6.0748  1.1531 14.200    4.9465  17.442    6.6094   10.073    7.4581   6.6947  1.3923 5.2123  1.6996 1.482323       2.197111  
1 1 1 5  26 13 o 15.448  0.7568 88.169    8.5683  79.903    12.875   94.739    11.479   14.565  1.2172 15.938  0.9875 -1.373437      1.567433  
1 1 1 5  26 14 o 6.3187  0.9690 15.156    4.3444  27.897    10.125   12.281    4.8098   8.4160  1.6998 5.6282  1.2024 2.787756       2.082136  
1 1 1 5  27 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 5  27 1  o 8.5366  0.6622 27.001    4.1112  27.001    4.1112   0.0000    0.0000   8.5366  0.6622 ?       ?      0.000000       0.6622462 
1 1 1 5  27 2  o 17.011  0.5964 106.496   7.4359  104.913   8.6148   111.121   14.726   16.871  0.6967 17.236  1.1726 -0.3644829     1.363942  
1 1 1 5  27 3  o 9.1992  0.7276 31.403    4.8661  39.816    7.2337   24.449    6.5766   10.321  0.9675 8.0263  1.1508 2.294969       1.503488  
1 1 1 5  27 4  o 12.033  0.5849 53.292    5.1589  56.383    6.4014   47.566    8.7138   12.345  0.7105 11.264  1.0682 1.080323       1.282880  
1 1 1 5  27 5  o 11.366  0.6054 47.701    5.0251  53.269    6.4546   39.134    8.0069   11.992  0.7379 10.201  1.0876 1.790975       1.314332  
1 1 1 5  27 6  o 14.907  0.6233 81.862    6.8107  83.110    8.3127   79.315    11.879   14.983  0.7594 14.548  1.1227 0.4346323      1.355457  
1 1 1 5  27 7  o 6.5082  0.9075 15.992    4.2112  24.467    5.6035   4.9931    6.3836   8.0631  0.9675 4.1425  1.5539 3.920586       1.830497  
1 1 1 5  27 8  o 16.115  0.6700 95.792    7.9143  96.017    9.6328   95.325    13.883   16.088  0.8196 15.920  1.1985 0.1672850      1.451982  
1 1 1 5  27 9  o 5.9085  1.5638 13.737    6.8781  13.737    6.8781   0.0000    0.0000   5.9085  1.5638 ?       ?      0.000000       1.563787  
1 1 1 5  27 10 o 12.603  0.6952 58.825    6.3966  56.861    7.9463   62.441    10.781   12.350  0.8837 12.870  1.1552 -0.5199947     1.454454  
1 1 1 5  27 11 o 5.2893  1.2263 10.903    4.6615  7.0300    6.3145   15.541    6.9105   4.4983  1.5640 6.2774  1.5185 -1.779109      2.179902  
1 1 1 5  27 12 o 6.1434  1.1165 14.515    4.8422  14.382    6.6981   14.660    7.0081   6.0415  1.5153 6.0952  1.5616 -0.5367708E-01 2.175946  
1 1 1 5  28 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 5  28 1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 5  28 2  o 5.0938  0.7472 9.7944    2.7067  9.7944    2.7067   0.0000    0.0000   5.0938  0.7472 ?       ?      0.000000       0.7471766 
1 1 1 5  28 3  o 3.4028  1.0047 4.3839    2.6787  4.5376    3.1804   4.0088    4.9688   3.5039  1.1068 3.6834  1.3731 -0.1794441     1.763611  
1 1 1 5  28 4  o 16.409  1.1557 101.372   13.811  0.0000    0.0000   101.372   13.811   ?       ?      16.409  1.1557 0.000000       1.155702  
1 1 1 5  28 5  o 10.506  0.6160 40.851    4.7225  46.752    6.1597   32.435    7.3557   11.215  0.7537 9.2485  1.1071 1.966697       1.339313  
1 1 1 5  28 6  o 13.947  0.6129 71.756    6.2656  71.637    7.6119   72.008    11.034   13.893  0.7503 13.831  1.0974 0.6181335E-01  1.329380  
1 1 1 5  28 7  o 12.971  0.6328 62.092    6.0162  66.274    7.5720   54.932    9.9077   13.355  0.7769 12.058  1.1344 1.297266       1.374916  
1 1 1 5  28 8  f 3.6145  1.2563 4.4594    4.0740  8.5622    5.5620   -0.2899   5.9842   4.7366  1.4586 3.2266  1.3913 1.510008       2.015726  
1 1 1 6  0  0  o 78.100  3.0735 2246.13   175.324 2284.73   251.983  2209.90   244.096  78.576  4.4069 77.277  4.3408 0.000000       0.000000  
1 1 1 6  0  1  o 236.395 6.5895 20558.14  1139.74 23261.72  1803.77  18761.30  1470.50  250.948 9.8409 225.424 8.9317 0.000000       0.000000  
1 1 1 6  0  2  o 13.616  0.5339 68.257    5.3097  81.475    8.2843   59.041    6.9174   14.851  0.7657 12.625  0.7537 0.000000       0.000000  
1 1 1 6  0  3  o 273.121 7.6238 27450.54  1523.49 26601.58  2082.58  28427.88  2234.51  268.326 10.627 277.341 11.032 -0.000000      0.000000  
1 1 1 6  0  4  o 225.465 7.1884 18714.64  1185.20 19275.12  1493.13  17760.05  1948.62  228.548 8.9445 218.645 12.247 -0.000000      0.000000  
1 1 1 6  0  5  o 326.810 9.0533 39324.04  2164.85 39382.25  4316.07  39304.46  2502.40  324.752 18.265 326.471 10.482 0.000000       0.000000  
1 1 1 6  0  6  f 327.707 9.1201 39544.96  2186.77 45021.16  4924.21  38199.68  2440.63  346.949 19.505 321.844 10.370 0.000000       0.000000  
1 1 1 6  0  7  o 121.096 3.3782 5388.61   299.315 5325.37   586.009  5410.94   348.155  119.901 6.7162 121.291 3.9255 0.000000       0.000000  
1 1 1 6  0  8  o 103.505 2.8970 3936.50   219.391 4269.88   332.255  3678.78   292.133  107.660 4.2253 99.924  4.0033 -0.000000      0.000000  
1 1 1 6  0  9  o 147.970 4.0901 8047.44   442.830 7615.29   592.319  8595.09   666.785  143.737 5.6419 152.695 5.9785 0.000000       0.000000  
1 1 1 6  0  10 o 101.046 2.8168 3751.81   208.249 3687.78   288.562  3821.41   300.839  100.047 3.9490 101.839 4.0448 0.000000       0.000000  
1 1 1 6  0  11 o 91.193  3.6167 3064.18   240.878 3481.38   383.833  2793.12   309.385  96.935  5.4415 86.835  4.8966 -0.000000      0.000000  
1 1 1 6  0  12 o 116.094 4.5819 4969.36   388.504 5495.59   603.958  4597.92   507.421  121.698 6.8198 111.339 6.2632 -0.000000      0.000000  
1 1 1 6  0  13 o 25.663  0.8371 242.153   15.708  275.562   24.307   218.197   20.583   27.338  1.2186 24.316  1.1609 0.000000       0.000000  
1 1 1 6  0  14 o 145.405 4.0392 7780.22   429.732 7769.27   608.201  7791.13   607.266  144.999 5.7432 145.207 5.7259 0.000000       0.000000  
1 1 1 6  0  15 f 79.874  2.2407 2345.17   130.946 2470.44   193.891  2240.11   177.557  81.855  3.2433 77.946  3.1192 0.000000       0.000000  
1 1 1 6  0  16 o 29.437  1.0878 318.928   23.398  376.768   45.759   298.450   27.227   31.872  1.9762 28.443  1.3124 0.000000       0.000000  
1 1 1 6  0  17 o 57.611  1.6455 1219.87   69.356  1221.54   98.685   1218.24   97.494   57.565  2.3478 57.490  2.3223 -0.000000      0.000000  
1 1 1 6  0  18 o 29.871  0.9570 328.065   20.905  390.716   34.033   290.104   26.492   32.552  1.4327 28.042  1.2952 -0.000000      0.000000  
1 1 1 6  0  19 f 221.963 6.2079 18223.14  1008.18 17853.94  1407.65  18612.00  1444.63  218.675 8.8150 223.270 8.8594 0.000000       0.000000  
1 1 1 6  0  20 o 159.623 6.3759 9459.14   743.260 8427.92   930.609  11275.75  1235.15  149.835 8.5371 172.919 9.8177 -0.000000      0.000000  
1 1 1 6  0  21 o 15.571  0.7706 89.515    8.7458  86.619    11.611   93.312    13.296   15.265  1.0492 15.828  1.1604 0.000000       0.000000  
1 1 1 6  0  22 o 103.547 2.9323 3948.73   222.143 4486.96   349.957  3585.49   287.491  110.090 4.3524 98.441  3.9994 0.000000       0.000000  
1 1 1 6  0  23 o 52.509  1.5355 1013.90   58.983  1155.13   93.192   919.521   76.183   55.951  2.2811 49.920  2.0904 0.000000       0.000000  
1 1 1 6  0  24 o 56.660  1.6415 1181.06   68.040  1261.70   101.978  1116.37   91.343   58.447  2.3895 54.982  2.2755 0.000000       0.000000  
1 1 1 6  0  25 o 93.396  2.6309 3219.22   179.776 3239.57   255.627  3199.30   252.878  93.357  3.7495 92.779  3.7323 0.000000       0.000000  
1 1 1 6  0  26 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 6  0  27 o 9.2958  1.0521 32.900    6.9316  30.924    9.1956   35.499    10.548   8.7822  1.5808 9.4088  1.6924 0.000000       0.000000  
1 1 1 6  0  28 o 109.730 3.1092 4469.64   249.609 4798.94   375.463  4208.84   334.140  112.900 4.5541 105.839 4.3237 0.000000       0.000000  
1 1 1 6  0  29 o 28.960  0.9731 308.755   20.602  269.828   26.587   367.253   32.592   27.004  1.3510 31.523  1.4171 -0.000000      0.000000  
1 1 1 6  0  30 o 2.7290  1.6311 2.8487    5.7896  -4.4273   7.6820   12.415    8.8086   2.2427  1.5267 4.7984  2.2433 0.000000       0.000000  
1 1 1 6  0  31 o 49.781  2.0869 920.253   75.843  867.833   102.559  983.516   112.668  48.020  2.9391 51.112  3.0319 -0.000000      0.000000  
1 1 1 6  0  32 o 14.354  0.9020 76.530    9.4041  73.369    12.652   80.433    14.058   13.959  1.2602 14.607  1.3389 0.000000       0.000000  
1 1 1 6  1  0  o 111.911 3.1148 4601.98   255.047 4575.89   361.378  4627.87   360.009  111.439 4.4403 112.079 4.3977 0.000000       0.000000  
1 1 1 6  1  1  o 172.900 3.6251 10965.42  459.402 10689.71  595.081  11372.12  722.758  170.658 4.7574 175.969 5.6037 -5.310944      7.350813  
1 1 1 6  1  2  o 210.951 4.4137 16328.98  682.445 15404.26  987.215  17175.31  944.452  204.734 6.5787 216.237 5.9589 -11.50317      8.876278  
1 1 1 6  1  3  o 51.660  1.1883 978.129   44.996  1078.42   69.560   905.970   59.002   54.241  1.7497 49.716  1.6192 4.525036       2.383900  
1 1 1 6  1  4  o 211.927 4.1378 16476.19  642.742 15484.00  854.961  17765.79  974.717  205.356 5.6801 219.939 6.0464 -14.58369      8.295938  
1 1 1 6  1  5  o 95.516  1.8806 3344.17   131.661 3336.88   187.310  3351.29   185.104  95.401  2.6787 95.608  2.6414 -0.2064285     3.762010  
1 1 1 6  1  6  o 291.319 5.7303 31162.98  1223.56 29989.66  1664.91  32540.89  1804.24  285.524 7.9555 297.375 8.2777 -11.85080      11.48086  
1 1 1 6  1  7  o 180.016 3.5134 11885.24  463.577 12486.35  685.907  11379.77  628.978  184.435 5.0739 176.083 4.8734 8.351181       7.035262  
1 1 1 6  1  8  o 172.645 3.3905 10931.84  429.048 11559.59  637.140  10410.99  580.357  177.459 4.8984 168.423 4.7013 9.036453       6.789424  
1 1 1 6  1  9  o 111.265 2.1826 4538.60   177.996 4727.70   261.428  4375.18   243.027  113.538 3.1415 109.226 3.0356 4.312248       4.368491  
1 1 1 6  1  10 o 174.894 3.4163 11221.11  437.940 11386.69  626.694  11063.08  612.239  176.090 4.8556 173.573 4.8124 2.517166       6.836325  
1 1 1 6  1  11 o 151.048 3.4102 8371.88   377.549 7883.58   501.933  9008.16   572.959  146.496 4.6745 156.571 4.9927 -10.07474      6.839427  
1 1 1 6  1  12 o 139.541 3.8673 7150.67   395.543 6700.04   522.250  7756.93   605.757  134.953 5.2798 145.162 5.6933 -10.20918      7.764665  
1 1 1 6  1  13 o 121.579 2.3805 5422.52   212.134 5779.06   318.133  5137.08   284.656  125.443 3.4600 118.283 3.2834 7.160233       4.769950  
1 1 1 6  1  14 o 223.161 4.3579 18328.79  712.820 18770.15  1030.23  17923.44  987.299  225.332 6.2378 220.228 6.1164 5.104279       8.736153  
1 1 1 6  1  15 o 120.741 2.3622 5350.59   209.051 5099.61   281.793  5657.79   311.757  117.796 3.2638 124.057 3.4286 -6.261253      4.733637  
1 1 1 6  1  16 o 123.043 2.4281 5558.38   218.978 5824.70   321.741  5328.55   298.883  125.835 3.4884 120.369 3.3877 5.465919       4.862642  
1 1 1 6  1  17 o 150.257 2.9644 8297.83   326.474 8194.98   458.996  8403.15   464.459  149.108 4.1998 150.991 4.1968 -1.882538      5.937263  
1 1 1 6  1  18 o 65.955  1.3137 1595.17   63.509  1668.80   93.521   1532.16   86.519   67.439  1.8920 64.622  1.8266 2.817284       2.629862  
1 1 1 6  1  19 o 16.967  0.6871 105.523   8.5448  101.456   10.989   111.741   13.589   16.611  0.9060 17.425  1.0691 -0.8138142     1.401381  
1 1 1 6  1  20 o 54.967  1.2886 1108.01   51.915  1255.29   82.143   1010.06   66.990   58.482  1.9163 52.466  1.7420 6.015598       2.589781  
1 1 1 6  1  21 o 81.895  1.8786 2461.96   112.764 2587.29   167.992  2359.18   152.131  83.877  2.7325 80.108  2.5910 3.768684       3.765604  
1 1 1 6  1  22 o 93.304  1.9792 3197.81   135.350 3169.79   204.995  3219.46   180.218  92.752  3.0153 93.536  2.6287 -0.7839355     4.000274  
1 1 1 6  1  23 o 119.459 2.3508 5251.20   205.837 5567.29   306.900  4992.76   277.508  122.725 3.4118 116.265 3.2565 6.460693       4.716449  
1 1 1 6  1  24 o 112.811 2.2365 4687.24   184.926 5225.12   290.243  4319.67   239.931  118.748 3.3347 108.074 3.0289 10.67400       4.504931  
1 1 1 6  1  25 o 37.375  0.8090 512.388   22.163  552.173   33.512   481.462   29.546   38.779  1.1790 36.215  1.1131 2.564346       1.621439  
1 1 1 6  1  26 f 25.555  1.0205 239.748   19.115  240.593   23.073   237.898   34.127   25.590  1.2301 25.340  1.8503 0.2503395      2.221875  
1 1 1 6  1  27 o 24.045  0.6173 212.044   10.880  212.991   15.374   211.094   15.400   24.090  0.8707 23.982  0.8761 0.1077538      1.235176  
1 1 1 6  1  28 o 50.862  1.0477 950.357   39.057  939.398   54.598   961.844   55.894   50.509  1.4748 51.106  1.4922 -0.5969810     2.097996  
1 1 1 6  1  29 o 43.635  0.9171 699.203   29.332  670.318   39.933   733.049   43.227   42.684  1.2764 44.630  1.3214 -1.946312      1.837225  
1 1 1 6  1  30 o 8.8111  0.7527 28.706    4.8146  31.319    6.7904   26.064    6.8275   9.1735  1.0275 8.3402  1.1473 0.8333282      1.540142  
1 1 1 6  1  31 o 44.079  1.3419 716.832   43.355  800.783   66.478   654.698   57.192   46.415  1.9540 41.997  1.8579 4.418461       2.696338  
1 1 1 6  1  32 o 17.328  0.8635 110.386   10.967  112.504   16.365   108.659   14.775   17.412  1.2915 17.128  1.1842 0.2845669      1.752201  
1 1 1 6  2  0  o 503.865 14.139 93863.23  5212.42 108292.80 8465.47  85052.29  6615.08  538.307 21.534 477.869 18.954 0.000000       0.000000  
1 1 1 6  2  1  o 185.237 3.6182 12585.53  491.243 12772.49  704.556  12408.66  685.289  186.528 5.1534 183.856 5.0853 2.671799       7.239974  
1 1 1 6  2  2  o 224.215 4.3744 18445.79  718.889 17520.04  964.308  19603.96  1078.59  218.400 6.0240 230.993 6.3705 -12.59317      8.767661  
1 1 1 6  2  3  o 211.784 4.4233 16456.78  686.621 15706.72  999.487  17127.11  944.871  206.754 6.5954 215.951 5.9695 -9.196823      8.895742  
1 1 1 6  2  4  o 218.543 4.2652 17522.14  683.222 18302.03  901.321  16468.72  1047.52  223.275 5.5076 211.703 6.7508 11.57185       8.712425  
1 1 1 6  2  5  o 168.893 3.2961 10460.45  408.033 10248.99  563.682  10693.22  591.409  167.126 4.6016 170.704 4.7268 -3.577682      6.596727  
1 1 1 6  2  6  o 115.573 2.2574 4896.60   191.227 4967.02   273.885  4829.61   267.114  116.382 3.2107 114.762 3.1755 1.620308       4.515831  
1 1 1 6  2  7  o 99.067  1.9487 3597.62   141.503 3763.24   207.433  3453.48   193.521  101.309 2.7935 97.051  2.7205 4.257744       3.899319  
1 1 1 6  2  8  o 191.481 3.7673 13450.01  528.728 15062.33  968.115  12764.69  631.172  202.436 6.5247 186.493 4.6175 15.94304       7.993265  
1 1 1 6  2  9  o 189.675 3.9548 13200.40  549.814 13777.87  874.981  12823.60  706.781  193.615 6.1657 186.870 5.1602 6.744461       8.040073  
1 1 1 6  2  10 o 118.662 2.3261 5162.84   202.311 5345.34   294.822  5000.42   278.128  120.711 3.3322 116.754 3.2501 3.956711       4.654733  
1 1 1 6  2  11 o 209.471 4.7445 16121.41  728.445 15227.54  974.725  17252.20  1096.31  203.348 6.5397 216.384 6.9124 -13.03583      9.515755  
1 1 1 6  2  12 o 185.335 5.1399 12636.10  698.227 14187.12  1099.38  11587.50  903.947  195.929 7.6554 177.199 6.9599 18.72984       10.34623  
1 1 1 6  2  13 o 128.826 2.5164 6089.29   237.611 6401.80   352.282  5828.44   321.843  132.007 3.6409 125.969 3.4858 6.037277       5.040532  
1 1 1 6  2  14 o 112.152 2.2160 4614.86   182.160 4854.71   272.994  4422.36   244.568  114.955 3.2400 109.733 3.0408 5.222221       4.443409  
1 1 1 6  2  15 o 180.987 3.5669 12046.12  473.176 11718.90  656.339  12400.25  682.788  178.210 5.0248 183.303 5.0820 -5.093124      7.146696  
1 1 1 6  2  16 o 130.344 2.5632 6239.12   244.878 5966.17   331.422  6567.31   363.403  127.342 3.5508 133.579 3.7117 -6.237206      5.136631  
1 1 1 6  2  17 o 73.072  1.4550 1958.21   77.930  2089.14   117.625  1855.78   104.040  75.446  2.1271 71.114  1.9960 4.332161       2.916947  
1 1 1 6  2  18 o 136.454 2.8663 6843.12   286.674 6284.87   402.166  7419.81   408.751  130.558 4.2026 141.911 3.9297 -11.35329      5.753684  
1 1 1 6  2  19 o 81.796  1.8635 2455.09   111.720 2387.19   153.695  2531.16   162.679  80.608  2.6014 82.997  2.6742 -2.389313      3.730704  
1 1 1 6  2  20 o 141.156 3.9594 7349.49   409.650 8067.54   631.005  6826.39   538.576  147.333 5.8432 135.659 5.4165 11.67325       7.967526  
1 1 1 6  2  21 o 62.868  1.3606 1449.77   62.695  1434.07   82.979   1470.65   95.705   62.506  1.8112 63.283  2.0633 -0.7775917     2.745497  
1 1 1 6  2  22 o 68.478  1.5905 1721.17   79.829  1744.02   99.447   1679.76   133.866  68.903  1.9691 67.551  2.7037 1.352112       3.344771  
1 1 1 6  2  23 o 56.677  1.2356 1178.62   51.328  1106.43   63.839   1310.63   86.324   54.893  1.5867 59.713  1.9723 -4.819794      2.531327  
1 1 1 6  2  24 o 89.465  1.8994 2944.16   124.549 2971.01   166.137  2909.70   188.196  89.745  2.5257 88.724  2.8939 1.021156       3.841079  
1 1 1 6  2  25 o 30.145  0.6913 333.261   15.275  314.678   20.583   356.040   22.788   29.284  0.9590 31.147  0.9982 -1.863512      1.384172  
1 1 1 6  2  26 o 13.450  0.8372 66.637    8.2125  79.905    11.788   54.124    11.448   14.710  1.1013 12.064  1.3160 2.645982       1.716066  
1 1 1 6  2  27 o 129.084 2.5696 6187.38   243.114 5769.11   319.864  6759.53   374.103  123.935 3.5212 133.873 3.8126 -9.937599      5.189841  
1 1 1 6  2  28 o 31.952  0.9199 374.854   21.545  378.205   34.470   372.705   27.601   32.048  1.4674 31.841  1.1826 0.2073708      1.884654  
1 1 1 6  2  29 o 39.018  0.9016 559.049   25.784  533.064   32.945   600.122   41.420   38.073  1.1806 40.369  1.3998 -2.295918      1.831201  
1 1 1 6  2  30 o 40.021  0.8620 588.266   25.286  582.941   35.402   593.811   36.128   39.796  1.2137 40.163  1.2272 -0.3673477     1.726040  
1 1 1 6  2  31 o 24.718  0.9017 224.595   16.336  223.454   22.725   225.816   23.499   24.586  1.2653 24.710  1.3021 -0.1236801     1.815633  
1 1 1 6  2  32 o 16.886  0.6037 104.658   7.4722  108.090   10.716   101.408   10.425   17.147  0.8526 16.586  0.8605 0.5610161      1.211349  
1 1 1 6  3  0  o 205.480 6.6134 15542.33  993.700 15651.22  1230.89  15338.57  1683.86  205.960 8.1830 203.233 11.386 -0.000000      0.000000  
1 1 1 6  3  1  o 252.099 4.9317 23325.77  911.264 21355.01  1174.24  26309.71  1444.90  241.068 6.6456 267.494 7.3696 -26.42584      9.923449  
1 1 1 6  3  2  o 97.195  1.9181 3462.86   136.643 4151.92   227.981  3076.55   170.701  106.411 2.9230 91.606  2.5423 14.80568       3.873936  
1 1 1 6  3  3  o 48.571  0.9756 864.624   34.733  921.376   52.239   819.657   46.500   50.138  1.4215 47.290  1.3415 2.848206       1.954583  
1 1 1 6  3  4  o 208.498 4.0987 15947.17  626.361 15216.28  753.279  17584.79  1127.55  203.612 5.0475 218.731 7.0331 -15.11940      8.656851  
1 1 1 6  3  5  o 285.780 5.5653 29986.56  1165.75 30170.30  1660.88  29808.14  1636.63  286.382 7.9125 284.667 7.8439 1.714752       11.14153  
1 1 1 6  3  6  o 99.291  1.9540 3613.92   142.205 3600.61   199.424  3627.69   202.835  99.097  2.7456 99.468  2.7821 -0.3711700     3.908780  
1 1 1 6  3  7  o 355.740 7.4783 46550.45  1949.93 41742.51  3275.88  49188.68  2426.64  335.523 13.321 365.365 9.0614 -29.84247      16.11053  
1 1 1 6  3  8  o 213.331 4.1651 16699.43  651.272 15394.15  977.584  17741.06  873.290  204.640 6.5175 219.789 5.4209 -15.14908      8.477274  
1 1 1 6  3  9  o 195.306 4.0978 13998.07  586.608 14499.86  918.306  13652.16  762.444  198.591 6.3088 192.782 5.3959 5.809662       8.301580  
1 1 1 6  3  10 o 228.254 4.7777 19135.86  799.323 19570.06  1085.13  18620.77  1181.88  230.624 6.4194 224.850 7.1713 5.773941       9.624826  
1 1 1 6  3  11 o 271.197 7.5054 27139.87  1491.91 28982.88  2245.56  25683.52  1996.15  279.168 10.974 263.008 10.355 16.16019       15.08836  
1 1 1 6  3  12 o 61.223  1.4147 1374.09   63.484  1411.23   92.083   1340.44   87.642   62.035  2.0252 60.460  1.9777 1.574875       2.830673  
1 1 1 6  3  13 o 57.466  1.1521 1210.57   48.527  1224.16   69.603   1197.72   67.691   57.780  1.6435 57.153  1.6159 0.6267281      2.304814  
1 1 1 6  3  14 o 177.308 3.4690 11555.64  450.830 10991.44  606.661  12251.53  673.742  172.694 4.7928 182.269 5.0431 -9.575531      6.957299  
1 1 1 6  3  15 o 57.083  1.1407 1194.60   47.725  1180.33   66.639   1209.63   68.383   56.731  1.6026 57.430  1.6245 -0.6991119     2.281981  
1 1 1 6  3  16 o 149.351 2.9464 8197.28   322.541 8455.00   472.372  7972.16   441.477  151.454 4.2552 147.097 4.0947 4.356857       5.905386  
1 1 1 6  3  17 o 202.676 3.9766 15134.14  590.734 16117.84  885.176  14344.21  793.218  208.543 5.7910 196.842 5.4979 11.70026       7.985114  
1 1 1 6  3  18 o 143.539 2.8410 7572.17   298.903 7603.68   423.720  7540.96   421.711  143.633 4.0248 143.040 4.0223 0.5931091      5.690161  
1 1 1 6  3  19 o 260.854 7.3223 25442.17  1399.99 24759.09  1928.21  26203.70  2035.94  254.842 10.323 261.890 10.606 -7.047287      14.80058  
1 1 1 6  3  20 o 73.862  1.7115 2001.88   92.656  1895.21   123.797  2137.73   139.714  71.828  2.3514 76.274  2.4991 -4.445892      3.431425  
1 1 1 6  3  21 o 57.847  1.1741 1227.18   49.781  1247.05   70.805   1207.75   70.005   58.293  1.6572 57.367  1.6649 0.9261894      2.349041  
1 1 1 6  3  22 o 109.397 2.1510 4398.86   172.473 4722.01   260.853  4147.86   229.898  113.156 3.1451 106.092 2.9565 7.063637       4.316532  
1 1 1 6  3  23 o 69.527  1.3951 1774.30   71.094  1792.61   101.585  1756.72   99.531   69.829  1.9848 69.129  1.9643 0.7002792      2.792485  
1 1 1 6  3  24 o 62.464  1.5946 1433.87   73.005  1368.73   110.427  1484.44   97.303   60.911  2.4734 63.493  2.0908 -2.582325      3.238742  
1 1 1 6  3  25 o 27.076  0.6975 268.866   13.842  291.253   19.324   245.279   19.836   28.173  0.9358 25.850  1.0469 2.323090       1.404199  
1 1 1 6  3  26 o 46.538  0.9648 795.035   32.910  792.907   46.491   797.172   46.594   46.438  1.3659 46.562  1.3652 -0.1248016     1.931215  
1 1 1 6  3  27 o 53.151  1.0853 1037.82   42.283  1038.02   59.720   1037.62   59.874   53.092  1.5346 53.082  1.5389 0.1082611E-01  2.173328  
1 1 1 6  3  28 o 64.897  1.4069 1550.36   66.921  1609.53   106.253  1511.46   86.157   65.913  2.1993 63.978  1.8373 1.935246       2.865789  
1 1 1 6  3  29 o 40.841  0.8758 612.470   26.217  643.171   38.627   586.247   35.698   41.809  1.2605 39.921  1.2200 1.887947       1.754213  
1 1 1 6  3  30 o 25.266  0.6435 234.244   11.918  254.209   17.913   218.389   15.963   26.302  0.9292 24.381  0.8933 1.920900       1.288919  
1 1 1 6  3  31 o 44.349  0.9443 723.318   30.695  778.442   46.301   680.094   41.000   45.918  1.3757 42.936  1.3028 2.982285       1.894690  
1 1 1 6  3  32 o 36.269  0.8638 483.651   22.963  445.060   28.382   556.781   39.071   34.755  1.1142 38.820  1.3732 -4.064442      1.768310  
1 1 1 6  4  0  o 535.862 14.922 106177.00 5850.58 103996.60 8141.13  108505.90 8413.54  527.964 21.114 539.229 21.364 -0.000000      0.000000  
1 1 1 6  4  1  o 229.377 4.8193 19308.73  810.238 20865.18  1150.13  17775.25  1141.61  238.300 6.5848 219.904 7.0828 18.39618       9.670877  
1 1 1 6  4  2  o 402.572 8.4487 59645.12  2492.97 56858.63  3653.08  62073.92  3410.57  392.010 12.714 409.991 11.349 -17.98026      17.04270  
1 1 1 6  4  3  o 56.565  1.1261 1172.68   46.688  1287.87   71.917   1088.77   61.380   59.275  1.6553 54.502  1.5365 4.773567       2.258520  
1 1 1 6  4  4  o 180.951 3.5233 12008.82  467.289 12105.31  595.818  11854.62  753.199  181.634 4.4754 179.674 5.7193 1.960083       7.262248  
1 1 1 6  4  5  o 139.742 2.7529 7160.02   281.971 7347.77   408.594  6989.32   389.617  141.527 3.9389 138.035 3.8510 3.492264       5.508587  
1 1 1 6  4  6  o 239.003 4.6499 20964.23  814.574 21225.35  1167.26  20716.35  1137.29  240.311 6.6269 237.421 6.5354 2.889435       9.307385  
1 1 1 6  4  7  o 55.999  1.1197 1149.34   45.957  1036.69   67.550   1246.41   62.705   53.181  1.7330 58.314  1.4671 -5.133339      2.270562  
1 1 1 6  4  8  o 136.270 2.6610 6809.13   265.780 6421.85   410.434  7088.81   348.786  132.283 4.2331 139.016 3.4231 -6.732880      5.443933  
1 1 1 6  4  9  o 226.578 4.4166 18846.70  733.478 20150.69  1106.73  17825.34  979.475  234.057 6.4512 220.184 6.0691 13.87225       8.857323  
1 1 1 6  4  10 o 213.215 4.4382 16696.13  693.593 17297.60  949.567  16008.21  1015.53  216.834 5.9747 208.501 6.6451 8.333450       8.936162  
1 1 1 6  4  11 o 137.234 3.1107 6911.16   312.900 6357.45   405.300  7728.06   492.293  131.551 4.2034 145.002 4.6320 -13.45163      6.254925  
1 1 1 6  4  12 o 143.686 3.2497 7579.88   342.246 7830.70   500.426  7359.48   469.107  145.902 4.6795 141.461 4.5243 4.440796       6.509008  
1 1 1 6  4  13 o 59.480  1.3673 1297.10   59.610  1338.33   86.717   1260.17   82.077   60.405  1.9586 58.616  1.9104 1.789402       2.736005  
1 1 1 6  4  14 o 151.529 2.9784 8434.16   330.798 8697.55   482.129  8199.88   454.712  153.688 4.2800 149.246 4.1567 4.441605       5.966308  
1 1 1 6  4  15 o 28.141  0.6326 290.257   13.047  265.264   17.186   324.262   20.047   26.901  0.8716 29.742  0.9196 -2.841053      1.267026  
1 1 1 6  4  16 o 54.989  1.2836 1108.76   51.735  1029.24   68.023   1217.86   79.679   52.968  1.7521 57.613  1.8869 -4.644875      2.574917  
1 1 1 6  4  17 o 71.063  1.4101 1851.99   73.449  1892.08   105.855  1814.77   101.998  71.803  2.0113 70.322  1.9789 1.480637       2.821605  
1 1 1 6  4  18 o 51.074  1.0416 956.352   38.993  942.809   54.849   970.190   55.444   50.701  1.4759 51.432  1.4707 -0.7311020     2.083629  
1 1 1 6  4  19 o 130.475 3.2630 6265.05   312.046 6996.82   446.405  5565.83   436.364  137.643 4.4248 122.668 4.8533 14.97509       6.567629  
1 1 1 6  4  20 o 39.692  1.1867 577.736   34.524  621.651   52.589   544.476   45.767   41.158  1.7432 38.522  1.6209 2.635937       2.380385  
1 1 1 6  4  21 o 102.516 2.1666 3861.12   162.803 3807.18   243.685  3904.60   218.796  101.636 3.2711 102.991 2.8984 -1.354660      4.370482  
1 1 1 6  4  22 o 121.064 2.3997 5391.96   212.936 5224.36   292.329  5581.40   310.794  118.951 3.3529 122.922 3.4496 -3.970718      4.810570  
1 1 1 6  4  23 o 54.684  1.1131 1097.06   44.615  1144.01   65.206   1055.74   61.176   55.811  1.5940 53.617  1.5567 2.193436       2.228022  
1 1 1 6  4  24 o 43.227  0.9107 685.462   28.855  690.615   41.160   680.482   40.463   43.368  1.2949 43.049  1.2824 0.3185425      1.822389  
1 1 1 6  4  25 o 31.145  0.8183 355.866   18.680  359.690   26.446   352.060   26.388   31.296  1.1529 30.962  1.1628 0.3342590      1.637465  
1 1 1 6  4  26 f 22.226  0.5888 181.154   9.5924  188.038   13.896   174.887   13.258   22.637  0.8375 21.831  0.8286 0.8056412      1.178113  
1 1 1 6  4  27 o 17.502  0.6513 112.364   8.3546  115.460   12.165   109.600   11.494   17.708  0.9406 17.254  0.9121 0.4540253      1.310211  
1 1 1 6  4  28 o 19.008  0.5801 132.510   8.0812  141.746   11.721   124.141   11.157   19.651  0.8137 18.390  0.8277 1.261364       1.160727  
1 1 1 6  4  29 o 53.163  1.0930 1039.04   42.591  1044.51   60.781   1033.78   59.699   53.216  1.5583 52.946  1.5383 0.2697105      2.189668  
1 1 1 6  4  30 o 29.245  0.6905 313.940   14.802  310.900   20.783   317.069   21.085   29.081  0.9751 29.367  0.9795 -0.2866764     1.382116  
1 1 1 6  4  31 o 46.609  0.9731 799.198   33.245  804.235   47.255   794.263   46.779   46.666  1.3816 46.377  1.3761 0.2888107      1.949995  
1 1 1 6  4  32 o 31.335  0.8497 360.968   19.516  407.833   30.510   328.516   25.389   33.247  1.2520 29.853  1.1603 3.393410       1.707011  
1 1 1 6  5  0  o 258.417 7.1999 24568.92  1361.34 28429.97  2212.09  22215.22  1727.13  277.380 10.919 245.294 9.6401 -0.000000      0.000000  
1 1 1 6  5  1  o 316.913 6.2106 36894.35  1442.63 36524.59  2026.74  37274.11  2053.92  314.950 8.7796 318.160 8.8076 -3.210358      12.43603  
1 1 1 6  5  2  o 164.181 3.2346 9885.00   389.244 10652.56  584.259  9272.44   521.946  170.375 4.6786 158.965 4.4796 11.41042       6.477395  
1 1 1 6  5  3  o 442.703 9.2695 72215.26  3007.79 69247.81  3813.32  77101.11  4893.08  432.715 12.023 455.593 14.653 -22.87799      18.95431  
1 1 1 6  5  4  o 129.603 2.5338 6158.36   240.695 6408.83   316.754  5816.11   370.263  132.194 3.2691 125.911 4.0120 6.283333       5.175281  
1 1 1 6  5  5  o 386.041 7.5642 54826.07  2140.32 53494.42  2942.13  56322.98  3119.38  380.635 10.546 390.469 10.899 -9.834595      15.16593  
1 1 1 6  5  6  o 87.748  1.7181 2822.36   110.504 2947.47   163.029  2716.04   150.297  89.661  2.4807 86.071  2.3824 3.590584       3.439462  
1 1 1 6  5  7  o 134.033 2.6344 6587.23   258.805 6200.40   399.640  6866.64   339.645  129.984 4.1947 136.822 3.3868 -6.837433      5.391246  
1 1 1 6  5  8  o 288.006 5.6294 30481.05  1188.35 30606.28  1948.35  30406.87  1499.58  287.940 9.2318 287.422 7.1181 0.5171814      11.65733  
1 1 1 6  5  9  o 173.508 3.3821 11045.74  430.121 11196.96  710.737  10958.35  540.290  174.519 5.5563 172.761 4.2668 1.758408       7.005559  
1 1 1 6  5  10 o 210.932 4.7380 16351.56  732.524 16352.56  1035.59  16350.57  1036.30  210.641 6.7076 210.627 6.7126 0.1367188E-01  9.489483  
1 1 1 6  5  11 f 193.120 4.3995 13708.94  622.751 12253.30  780.366  16261.59  1033.40  182.372 5.8379 209.916 6.7165 -27.54361      8.899002  
1 1 1 6  5  12 o 83.654  1.9088 2566.42   117.039 2425.28   156.131  2747.47   176.830  81.295  2.6203 86.519  2.7885 -5.223839      3.826385  
1 1 1 6  5  13 o 125.742 2.8402 5805.73   261.768 5605.62   357.070  6038.22   384.883  123.444 3.9464 128.100 4.0992 -4.655838      5.690131  
1 1 1 6  5  14 o 104.797 2.0575 4029.61   158.039 4185.73   231.010  3892.25   216.679  106.741 2.9527 102.938 2.8719 3.803207       4.118985  
1 1 1 6  5  15 o 195.982 4.8785 14183.59  700.787 13674.47  1065.45  14571.79  930.358  191.403 7.5945 198.103 6.4074 -6.699295      9.936359  
1 1 1 6  5  16 o 190.344 4.3131 13362.05  601.744 13921.24  884.414  12880.07  821.097  193.624 6.2318 186.327 6.0123 7.296982       8.659281  
1 1 1 6  5  17 o 48.045  0.9845 846.236   34.669  769.432   44.612   963.346   55.088   45.806  1.3288 51.251  1.4665 -5.444572      1.978923  
1 1 1 6  5  18 o 30.847  0.6870 348.780   15.532  372.469   23.091   329.205   20.991   31.874  0.9884 29.966  0.9557 1.907955       1.374869  
1 1 1 6  5  19 o 80.659  1.8464 2387.68   109.158 2508.81   161.664  2286.18   147.986  82.615  2.6698 78.874  2.5598 3.741287       3.698668  
1 1 1 6  5  20 o 95.457  2.0163 3345.67   141.070 3330.52   186.241  3366.07   216.071  95.173  2.6698 95.627  3.0827 -0.4539871     4.078128  
1 1 1 6  5  21 o 59.536  1.3908 1300.44   60.690  1260.40   83.055   1346.31   88.901   58.582  1.9343 60.541  2.0034 -1.958939      2.784834  
1 1 1 6  5  22 o 48.358  0.9986 857.614   35.393  832.677   48.427   886.204   51.854   47.633  1.3871 49.138  1.4397 -1.504528      1.999209  
1 1 1 6  5  23 o 99.805  2.1153 3665.96   154.742 3567.95   199.096  3815.51   245.924  98.316  2.7628 101.513 3.3052 -3.197136      4.307857  
1 1 1 6  5  24 o 24.219  0.6067 215.061   10.771  207.174   14.878   223.745   15.612   23.765  0.8541 24.697  0.8625 -0.9319229     1.213836  
1 1 1 6  5  25 o 38.491  1.1602 544.170   32.731  530.691   45.027   559.273   47.662   37.971  1.6179 38.975  1.6684 -1.003757      2.324013  
1 1 1 6  5  26 o 27.710  0.6579 281.646   13.362  284.277   19.083   279.115   18.716   27.827  0.9356 27.574  0.9261 0.2533283      1.316426  
1 1 1 6  5  27 o 21.909  0.6928 176.092   11.126  153.483   14.715   206.262   16.999   20.443  0.9820 23.699  0.9786 -3.255884      1.386379  
1 1 1 6  5  28 o 26.695  0.6455 261.417   12.629  271.432   18.382   252.464   17.380   27.187  0.9225 26.221  0.9043 0.9661007      1.291819  
1 1 1 6  5  29 o 20.804  0.5865 158.760   8.9432  173.348   13.318   146.780   12.069   21.728  0.8363 19.994  0.8236 1.733696       1.173713  
1 1 1 6  5  30 o 28.818  0.7848 305.013   16.577  324.024   24.509   288.982   22.506   29.668  1.1271 28.021  1.0958 1.646717       1.571980  
1 1 1 6  5  31 o 52.771  1.0926 1025.71   42.259  1070.43   61.793   986.414   57.922   53.767  1.5680 51.626  1.5307 2.140766       2.191284  
1 1 1 6  5  32 o 17.625  0.8711 114.228   11.253  100.823   15.901   127.676   15.927   16.470  1.3285 18.572  1.1761 -2.101717      1.774300  
1 1 1 6  6  0  o 245.048 6.7605 22089.80  1212.18 22457.17  1743.59  21746.13  1686.40  246.599 9.6804 242.678 9.5141 0.000000       0.000000  
1 1 1 6  6  1  o 264.244 5.1529 25634.41  998.021 26481.34  1451.38  24874.74  1374.58  268.327 7.3796 260.081 7.2107 8.245880       10.31766  
1 1 1 6  6  2  o 330.921 6.4679 40245.01  1568.81 43529.00  2391.18  37763.16  2078.74  343.605 9.4945 320.164 8.8582 23.44067       12.98514  
1 1 1 6  6  3  o 61.384  1.2086 1381.02   54.379  1393.51   69.480   1361.28   87.362   61.659  1.5374 60.938  1.9559 0.7203102      2.487806  
1 1 1 6  6  4  o 85.890  1.8146 2704.22   114.238 2889.01   160.966  2516.68   162.155  88.768  2.4740 82.848  2.6704 5.920364       3.640249  
1 1 1 6  6  5  o 284.734 5.5433 29779.21  1156.89 29218.37  1605.99  30384.14  1667.94  281.732 7.7773 287.273 7.9214 -5.541504      11.10112  
1 1 1 6  6  6  o 315.159 6.1523 36509.40  1421.19 35405.70  1955.06  37746.16  2069.55  309.918 8.6066 319.949 8.8250 -10.03177      12.32697  
1 1 1 6  6  7  o 54.171  1.1488 1075.54   45.612  1069.58   85.020   1077.95   54.049   54.013  2.1476 54.230  1.3598 -0.2173691     2.541855  
1 1 1 6  6  8  o 128.501 2.5200 6055.35   237.352 5489.81   351.541  6529.14   321.764  122.297 3.9217 133.403 3.2907 -11.10572      5.119458  
1 1 1 6  6  9  o 157.044 3.0667 9048.78   353.003 9097.97   578.100  9019.54   445.757  157.320 5.0135 156.736 3.8802 0.5835419      6.339606  
1 1 1 6  6  10 o 93.243  2.9882 3190.54   204.224 3148.04   348.396  3212.79   252.072  92.356  5.1674 93.536  3.6768 -1.180389      6.341991  
1 1 1 6  6  11 o 101.026 2.8042 3745.77   207.649 3950.39   309.273  3577.83   280.196  103.666 4.0703 98.671  3.8743 4.995361       5.619371  
1 1 1 6  6  12 o 111.239 2.3283 4540.48   189.836 4545.86   251.621  4533.38   289.226  111.254 3.0857 111.062 3.5530 0.1918030      4.705855  
1 1 1 6  6  13 o 78.453  1.7870 2257.59   102.757 2101.26   135.180  2471.55   158.147  75.660  2.4376 82.046  2.6298 -6.385567      3.585781  
1 1 1 6  6  14 o 111.607 2.2061 4571.74   180.469 4834.30   269.715  4358.89   242.840  114.672 3.2090 108.905 3.0422 5.767059       4.421839  
1 1 1 6  6  15 o 47.533  0.9644 828.282   33.598  808.793   46.446   849.675   48.662   46.963  1.3493 48.135  1.3793 -1.171642      1.929486  
1 1 1 6  6  16 f 49.303  1.0013 891.159   36.184  894.355   51.265   887.986   51.080   49.383  1.4163 49.207  1.4163 0.1761475      2.002952  
1 1 1 6  6  17 o 58.677  1.1832 1262.43   50.885  1245.03   70.744   1281.10   73.247   58.256  1.6568 59.093  1.6911 -0.8366470     2.367445  
1 1 1 6  6  18 o 39.666  0.9565 576.818   27.808  588.511   39.940   565.817   38.740   40.058  1.3603 39.279  1.3456 0.7796631      1.913393  
1 1 1 6  6  19 o 82.365  1.6308 2489.11   98.451  2540.80   141.927  2441.17   136.681  83.165  2.3283 81.522  2.2875 1.643448       3.263991  
1 1 1 6  6  20 o 49.464  1.0073 897.116   36.520  934.802   53.512   864.260   49.965   50.478  1.4463 48.538  1.4044 1.940479       2.016014  
1 1 1 6  6  21 f 95.520  2.3878 3355.97   167.178 3364.83   264.162  3350.05   215.917  95.385  3.7784 95.318  3.0905 0.6671143E-01  4.881365  
1 1 1 6  6  22 o 73.472  1.4689 1981.68   79.105  1946.77   109.633  2019.59   114.253  72.762  2.0557 74.105  2.1035 -1.342567      2.941162  
1 1 1 6  6  23 o 38.414  0.8203 541.188   23.097  602.528   35.811   497.498   30.223   40.516  1.2059 36.820  1.1199 3.696400       1.645682  
1 1 1 6  6  24 o 67.461  1.3593 1672.23   67.214  1572.51   90.006   1797.97   101.063  65.341  1.8793 69.850  1.9740 -4.509468      2.725529  
1 1 1 6  6  25 o 9.8770  0.7729 36.008    5.5511  42.658    7.6498   28.611    8.0676   10.735  0.9831 8.7282  1.3008 2.006923       1.630537  
1 1 1 6  6  26 o 47.774  0.9910 838.148   34.702  902.504   52.157   787.032   46.484   49.518  1.4370 46.250  1.3712 3.267235       1.986284  
1 1 1 6  6  27 o 26.192  0.9077 251.882   17.425  269.235   26.364   238.423   23.218   27.050  1.3298 25.461  1.2441 1.588448       1.821045  
1 1 1 6  6  28 o 20.003  0.5813 146.762   8.5221  153.402   12.322   140.674   11.799   20.442  0.8224 19.575  0.8223 0.8664265      1.163016  
1 1 1 6  6  29 o 41.856  0.8916 643.553   27.352  688.195   41.053   607.920   36.678   43.227  1.2957 40.637  1.2314 2.589493       1.787527  
1 1 1 6  6  30 o 25.311  0.8905 235.489   16.521  236.270   22.927   234.646   23.827   25.318  1.2355 25.191  1.2948 0.1267948      1.789672  
1 1 1 6  6  31 o 44.385  0.9386 724.807   30.536  749.867   44.201   701.926   42.236   45.055  1.3385 43.595  1.3218 1.459755       1.881117  
1 1 1 6  7  0  o 274.599 7.5816 27754.65  1523.31 28205.90  2190.83  27332.30  2119.52  276.203 10.860 271.914 10.672 0.000000       0.000000  
1 1 1 6  7  1  o 302.763 5.9107 33678.65  1311.66 34440.62  1900.74  32985.90  1812.35  305.759 8.4813 299.272 8.2622 6.487427       11.84044  
1 1 1 6  7  2  o 75.650  1.4963 2097.66   82.968  1954.91   109.914  2286.73   126.493  73.025  2.0535 78.978  2.1851 -5.953224      2.998642  
1 1 1 6  7  3  o 208.707 4.3662 15986.52  667.921 16417.32  910.934  15485.60  982.258  211.376 5.8796 205.228 6.5299 6.148361       8.786919  
1 1 1 6  7  4  o 429.388 9.0690 68009.41  2854.25 66667.08  3317.59  71833.54  5599.63  424.606 10.660 437.482 17.463 -12.87576      20.45947  
1 1 1 6  7  5  o 111.255 3.0643 4539.76   249.876 4499.81   286.094  4668.26   513.102  110.751 3.5244 112.507 6.2468 -1.756447      7.172405  
1 1 1 6  7  6  o 220.125 4.5782 17791.97  738.664 17774.17  977.119  17815.72  1128.39  219.855 6.0636 219.989 6.9981 -0.1339722     9.259589  
1 1 1 6  7  7  o 95.326  1.8682 3331.43   130.533 3281.27   209.544  3363.24   166.865  94.577  3.0228 95.769  2.3772 -1.191612      3.845540  
1 1 1 6  7  8  o 97.214  1.8996 3464.97   135.352 3439.72   219.989  3480.36   171.697  96.822  3.0999 97.416  2.4046 -0.5934753     3.923206  
1 1 1 6  7  9  o 90.453  1.7715 2999.84   117.445 3032.39   193.965  2980.99   147.572  90.906  2.9110 90.156  2.2332 0.7503662      3.668985  
1 1 1 6  7  10 o 37.400  1.0920 512.738   29.934  554.779   63.179   500.568   33.992   38.826  2.2294 36.953  1.2550 1.873775       2.558380  
1 1 1 6  7  11 o 153.269 2.9987 8626.17   336.871 8653.46   479.633  8599.59   473.247  153.356 4.2670 152.884 4.2232 0.4718781      6.003613  
1 1 1 6  7  12 o 112.448 2.1952 4639.90   180.932 4649.17   256.139  4630.66   255.615  112.488 3.1066 112.264 3.1065 0.2242050      4.393297  
1 1 1 6  7  13 o 35.132  0.9457 452.465   24.352  509.311   42.926   425.488   29.571   37.265  1.5716 34.066  1.1843 3.198948       1.967839  
1 1 1 6  7  14 o 36.298  0.7615 482.948   20.260  474.839   28.192   491.608   29.135   35.989  1.0688 36.618  1.0855 -0.6297417     1.523355  
1 1 1 6  7  15 o 122.846 2.4118 5542.10   217.159 5435.26   302.058  5656.40   312.423  121.534 3.3909 123.974 3.4382 -2.440605      4.828995  
1 1 1 6  7  16 o 45.850  0.9454 770.680   31.773  753.478   43.783   789.816   46.179   45.328  1.3178 46.408  1.3576 -1.079258      1.892021  
1 1 1 6  7  17 o 77.824  1.5526 2221.67   88.561  2090.24   118.797  2386.07   132.870  75.455  2.1480 80.611  2.2488 -5.156052      3.109845  
1 1 1 6  7  18 o 34.324  0.8524 431.900   21.444  425.608   29.895   438.569   30.777   34.068  1.1972 34.583  1.2142 -0.5145531     1.705173  
1 1 1 6  7  19 o 18.434  0.5423 124.550   7.3270  118.364   10.060   131.538   10.693   17.969  0.7638 18.943  0.7701 -0.9735928     1.084679  
1 1 1 6  7  20 o 59.949  1.2121 1318.21   53.262  1480.56   83.267   1205.78   69.292   63.503  1.7890 57.316  1.6494 6.187000       2.433298  
1 1 1 6  7  21 o 57.242  1.3439 1202.35   56.384  1296.68   84.921   1127.98   75.403   59.403  1.9504 55.411  1.8566 3.991806       2.692769  
1 1 1 6  7  22 o 104.873 2.0898 4046.44   160.639 4385.32   245.446  3792.52   212.462  108.930 3.0742 101.357 2.8599 7.572411       4.198733  
1 1 1 6  7  23 o 47.166  0.9790 816.223   33.844  863.459   49.860   775.863   46.088   48.482  1.4031 45.960  1.3681 2.522266       1.959721  
1 1 1 6  7  24 o 13.565  0.5613 67.471    5.5804  62.809    7.5707   73.019    8.2579   13.061  0.7946 14.085  0.8032 -1.024562      1.129848  
1 1 1 6  7  25 o 62.479  1.2560 1434.94   57.519  1397.56   79.367   1476.28   83.478   61.571  1.7587 63.273  1.8000 -1.701469      2.516530  
1 1 1 6  7  26 o 20.065  0.5708 147.656   8.3943  150.061   11.905   145.279   11.838   20.221  0.8033 19.896  0.8118 0.3250961      1.142012  
1 1 1 6  7  27 o 18.966  0.7335 131.994   10.197  141.507   16.977   126.625   12.754   19.581  1.1885 18.544  0.9414 1.036505       1.516179  
1 1 1 6  7  28 o 57.010  1.1691 1195.48   48.853  1143.08   66.358   1257.49   72.186   55.652  1.6268 58.355  1.6877 -2.703178      2.344093  
1 1 1 6  7  29 o 19.925  0.6437 145.683   9.4007  175.879   15.968   129.666   11.630   21.872  0.9961 18.788  0.8445 3.083630       1.305864  
1 1 1 6  7  30 o 47.095  1.1408 817.169   39.380  848.003   57.313   789.593   54.202   47.842  1.6344 46.175  1.6015 1.667103       2.288241  
1 1 1 6  7  31 o 38.082  0.8340 533.218   23.281  530.951   32.875   535.499   32.972   37.940  1.1822 38.102  1.1806 -0.1624603     1.670794  
1 1 1 6  8  0  o 93.571  3.0076 3219.87   205.787 3322.24   260.084  3048.49   336.521  94.963  3.7499 90.729  5.0972 0.000000       0.000000  
1 1 1 6  8  1  o 165.833 4.6250 10096.55  562.164 10071.41  787.776  10122.63  802.468  165.483 6.4948 165.894 6.5996 -0.4107208     9.259461  
1 1 1 6  8  2  o 110.878 2.3118 4507.57   187.875 4334.11   238.942  4788.47   304.068  108.707 2.9988 114.243 3.6313 -5.535622      4.709495  
1 1 1 6  8  3  o 279.664 5.4789 28739.32  1123.08 27496.48  1362.29  31376.09  1984.25  273.354 6.7993 291.487 9.2874 -18.13376      11.51029  
1 1 1 6  8  4  o 215.402 4.1943 17032.01  662.198 16812.22  826.605  17425.76  1106.39  213.905 5.2722 217.566 6.9380 -3.661148      8.713923  
1 1 1 6  8  5  o 147.251 2.8679 7953.07   309.534 7765.25   428.312  8158.39   447.835  145.443 4.0178 149.074 4.0986 -3.631271      5.739438  
1 1 1 6  8  6  o 179.432 3.4956 11815.97  459.731 11982.90  658.033  11656.80  642.558  180.564 4.9721 178.095 4.9224 2.468811       6.996546  
1 1 1 6  8  7  o 72.673  1.4324 1936.07   76.297  2007.03   128.853  1897.76   94.679   73.975  2.3764 71.945  1.7954 2.030365       2.978438  
1 1 1 6  8  8  o 22.825  0.5247 190.933   8.7782  181.785   13.921   196.971   11.310   22.270  0.8528 23.183  0.6656 -0.9120502     1.081830  
1 1 1 6  8  9  o 128.052 2.4966 6016.30   234.322 6385.18   405.155  5830.89   287.234  131.781 4.1946 126.024 3.1096 5.757095       5.221491  
1 1 1 6  8  10 o 63.455  1.4551 1476.36   67.676  1478.13   116.491  1475.45   83.146   63.464  2.5043 63.428  1.7885 0.3588104E-01  3.077351  
1 1 1 6  8  11 o 249.014 5.2142 22888.47  951.676 21670.58  1376.95  24002.28  1316.81  241.240 7.7873 254.242 7.0663 -13.00212      10.51550  
1 1 1 6  8  12 o 48.120  0.9722 848.847   34.288  898.654   50.916   807.518   46.382   49.504  1.4032 46.928  1.3484 2.576263       1.946122  
1 1 1 6  8  13 o 58.201  1.4664 1242.30   62.555  1297.37   103.230  1210.35   78.637   59.442  2.3694 57.435  1.8680 2.007675       3.017156  
1 1 1 6  8  14 o 27.557  0.6204 278.341   12.531  292.252   18.363   266.215   17.144   28.235  0.8873 26.948  0.8680 1.286922       1.241225  
1 1 1 6  8  15 o 62.524  1.2437 1433.52   56.998  1424.89   80.149   1442.34   81.075   62.318  1.7547 62.698  1.7642 -0.3801346     2.488250  
1 1 1 6  8  16 o 85.027  1.6787 2652.40   104.620 2686.02   149.194  2619.87   146.747  85.516  2.3802 84.458  2.3706 1.058800       3.359331  
1 1 1 6  8  17 o 96.785  1.9175 3438.18   136.027 3855.70   213.476  3152.77   176.498  102.399 2.8443 92.621  2.5999 9.777702       3.853474  
1 1 1 6  8  18 o 34.534  0.9407 437.245   23.811  451.964   37.900   427.648   30.604   35.100  1.4732 34.148  1.2227 0.9518967      1.914499  
1 1 1 6  8  19 o 74.983  1.4843 2062.90   81.575  2029.87   113.467  2098.23   117.360  74.338  2.0825 75.577  2.1186 -1.238197      2.970718  
1 1 1 6  8  20 o 39.395  0.8358 569.024   24.135  557.468   33.186   581.998   35.163   38.985  1.1614 39.832  1.2044 -0.8471451     1.673163  
1 1 1 6  8  21 o 48.115  1.6133 850.196   56.895  799.764   93.653   879.696   71.628   46.493  2.7606 48.916  1.9978 -2.422737      3.407655  
1 1 1 6  8  22 o 19.213  0.5528 135.324   7.7847  134.342   10.927   136.336   11.093   19.140  0.7789 19.281  0.7850 -0.1414127     1.105823  
1 1 1 6  8  23 o 53.322  1.0852 1043.72   42.413  1127.90   64.173   978.427   56.517   55.380  1.5810 51.590  1.4946 3.790386       2.175624  
1 1 1 6  8  24 o 37.276  1.0228 510.166   27.945  460.107   32.671   646.622   53.941   35.383  1.2598 41.889  1.7568 -6.506947      2.161823  
1 1 1 6  8  25 o 16.862  0.5556 104.266   6.8666  101.875   9.5077   106.872   9.9276   16.662  0.7785 17.065  0.7937 -0.4033375     1.111774  
1 1 1 6  8  26 o 38.601  0.8932 547.087   25.271  492.233   35.426   603.914   36.058   36.575  1.3215 40.525  1.2139 -3.950050      1.794439  
1 1 1 6  8  27 o 30.237  0.7992 335.621   17.712  344.095   25.731   327.991   24.417   30.590  1.1476 29.868  1.1153 0.7215977      1.600304  
1 1 1 6  8  28 o 45.433  0.9537 758.487   31.759  723.374   43.017   800.557   47.087   44.314  1.3244 46.608  1.3783 -2.294277      1.911507  
1 1 1 6  8  29 o 17.421  0.5835 111.359   7.4505  102.296   10.217   121.650   10.888   16.665  0.8392 18.197  0.8163 -1.532345      1.170712  
1 1 1 6  8  30 o 14.018  0.6072 72.131    6.2384  72.701    8.7896   71.552    8.8555   14.036  0.8585 13.922  0.8722 0.1133404      1.223842  
1 1 1 6  8  31 o 42.414  0.9686 662.217   30.112  637.521   38.580   700.715   48.169   41.551  1.2668 43.492  1.5110 -1.941444      1.971795  
1 1 1 6  9  0  o 66.308  1.8533 1615.36   89.914  1583.31   125.184  1649.50   129.227  65.562  2.6145 66.921  2.6440 -0.000000      0.000000  
1 1 1 6  9  1  o 171.804 3.3503 10829.95  421.887 10531.26  581.269  11162.45  613.295  169.324 4.6836 174.315 4.8001 -4.990326      6.706506  
1 1 1 6  9  2  o 153.227 2.9823 8612.63   334.944 8769.50   430.877  8373.08   532.448  154.570 3.8032 150.966 4.8119 3.604263       6.133416  
1 1 1 6  9  3  o 254.815 4.9672 23862.47  927.715 24515.05  1205.57  22914.91  1452.69  258.042 6.3741 249.160 7.9545 8.882339       10.19334  
1 1 1 6  9  4  f 172.350 3.3627 10901.24  424.794 10840.95  533.854  11005.30  701.358  171.803 4.2395 172.967 5.5322 -1.163773      6.969809  
1 1 1 6  9  5  o 109.911 2.1494 4430.02   173.155 4364.65   240.755  4500.07   249.221  109.064 3.0117 110.741 3.0704 -1.676369      4.300903  
1 1 1 6  9  6  o 129.181 2.5186 6121.65   238.473 5997.76   330.982  6255.40   343.890  127.807 3.5332 130.519 3.5947 -2.711800      5.040389  
1 1 1 6  9  7  o 91.116  2.0705 3044.82   138.281 2927.08   230.079  3111.40   173.015  89.275  3.5161 92.089  2.5633 -2.813904      4.351290  
1 1 1 6  9  8  o 119.977 3.3141 5286.94   291.437 4899.12   539.640  5446.62   346.279  114.967 6.4298 121.725 3.8812 -6.758163      7.510351  
1 1 1 6  9  9  o 37.741  0.9779 522.133   27.052  494.030   40.744   544.289   36.177   36.706  1.5144 38.531  1.2810 -1.824837      1.983542  
1 1 1 6  9  10 o 116.837 2.6387 5012.36   225.968 5367.63   418.768  4866.43   268.396  120.650 4.7355 115.073 3.1821 5.576881       5.705340  
1 1 1 6  9  11 o 113.496 2.2188 4727.91   184.580 4638.46   295.418  4785.19   236.406  112.281 3.5896 114.128 2.8261 -1.847481      4.568629  
1 1 1 6  9  12 o 136.187 2.6689 6813.66   266.408 6578.48   362.880  7088.61   392.358  133.665 3.7040 138.723 3.8588 -5.058121      5.348807  
1 1 1 6  9  13 o 116.914 2.6399 5022.16   226.220 4829.25   307.639  5249.29   333.809  114.511 3.6653 119.362 3.8155 -4.851585      5.290812  
1 1 1 6  9  14 o 68.481  1.4613 1720.07   73.349  1824.65   101.899  1607.61   105.666  70.508  1.9717 66.171  2.1786 4.336876       2.938399  
1 1 1 6  9  15 o 62.210  1.2368 1419.16   56.396  1440.38   80.832   1399.02   78.721   62.654  1.7602 61.748  1.7393 0.9052277      2.474584  
1 1 1 6  9  16 o 54.326  1.0898 1082.12   43.395  1082.98   61.445   1081.27   61.294   54.333  1.5429 54.291  1.5403 0.4280472E-01  2.180171  
1 1 1 6  9  17 o 45.167  0.9283 747.936   30.733  723.752   42.279   775.031   44.752   44.422  1.2985 45.968  1.3282 -1.545914      1.857490  
1 1 1 6  9  18 o 162.123 3.6807 9698.88   437.374 9711.18   618.840  9686.61   618.241  161.667 5.2225 161.461 5.2241 0.2053375      7.386835  
1 1 1 6  9  19 o 54.198  1.0945 1077.31   43.480  1086.83   62.048   1068.11   60.946   54.417  1.5556 53.947  1.5413 0.4699364      2.189918  
1 1 1 6  9  20 o 51.804  1.0570 984.349   40.133  1039.81   59.300   937.480   54.516   53.220  1.5202 50.536  1.4718 2.683689       2.115914  
1 1 1 6  9  21 o 61.959  1.4405 1409.61   65.418  1513.79   98.694   1327.97   87.368   64.137  2.0994 60.085  1.9838 4.052174       2.888462  
1 1 1 6  9  22 o 84.558  1.6733 2629.52   103.707 2585.36   144.318  2676.67   149.129  83.702  2.3524 85.158  2.3892 -1.455978      3.352910  
1 1 1 6  9  23 o 32.227  0.7186 380.946   16.974  365.337   23.212   398.887   24.886   31.547  1.0038 32.963  1.0300 -1.415297      1.438277  
1 1 1 6  9  24 o 28.718  0.9282 302.749   19.538  325.776   28.655   282.743   26.710   29.765  1.3135 27.729  1.3142 2.035509       1.858047  
1 1 1 6  9  25 o 42.355  0.9533 658.810   29.596  641.462   38.072   685.304   47.049   41.763  1.2438 43.134  1.4882 -1.370739      1.939484  
1 1 1 6  9  26 f 60.030  1.2260 1325.65   53.943  1478.20   84.094   1218.99   70.315   63.249  1.8140 57.472  1.6692 5.776386       2.465114  
1 1 1 6  9  27 o 3.4444  1.3057 3.0830    4.5341  1.6992    6.6184   4.3068    6.2241   3.7173  1.5231 4.0451  1.5307 -0.3277593     2.159369  
1 1 1 6  9  28 o 29.169  0.6823 312.288   14.587  297.712   19.853   329.388   21.503   28.460  0.9517 29.933  0.9801 -1.473177      1.366167  
1 1 1 6  9  29 o 31.348  0.7190 360.893   16.520  366.507   23.553   355.456   23.178   31.557  1.0183 31.078  1.0175 0.4793167      1.439537  
1 1 1 6  9  30 o 27.522  0.6672 278.197   13.460  306.120   20.282   256.220   17.993   28.838  0.9596 26.386  0.9304 2.451372       1.336529  
1 1 1 6  10 0  o 45.437  1.2834 758.513   42.663  734.627   58.564   785.526   62.277   44.659  1.7957 46.181  1.8466 0.000000       0.000000  
1 1 1 6  10 1  o 193.181 3.7565 13703.91  531.892 13566.95  666.412  13944.27  882.855  192.101 4.7330 194.535 6.1917 -2.434586      7.793470  
1 1 1 6  10 2  o 84.452  1.6493 2614.81   102.092 2582.97   127.642  2671.36   170.090  83.926  2.0750 85.331  2.7195 -1.404587      3.420730  
1 1 1 6  10 3  o 75.435  1.4789 2086.13   81.772  2088.41   103.678  2082.37   133.013  75.468  1.8743 75.346  2.4085 0.1223907      3.051904  
1 1 1 6  10 4  o 199.509 3.8943 14623.93  569.474 14192.80  699.854  15468.77  979.692  196.408 4.8615 204.727 6.5288 -8.318237      8.139975  
1 1 1 6  10 5  o 152.294 2.9809 8513.50   332.746 9054.60   497.601  8075.84   447.520  156.921 4.3263 148.220 4.1193 8.700485       5.973771  
1 1 1 6  10 6  o 98.731  1.9336 3575.09   139.929 3618.62   200.322  3533.60   195.544  99.292  2.7525 98.120  2.7190 1.171547       3.869009  
1 1 1 6  10 7  o 131.532 2.5719 6349.91   247.951 7008.42   444.313  6052.08   298.806  137.984 4.3932 128.359 3.1760 9.624802       5.420993  
1 1 1 6  10 8  o 53.036  1.0562 1031.14   41.059  1045.13   67.957   1023.09   51.528   53.381  1.7369 52.824  1.3309 0.5573120      2.188119  
1 1 1 6  10 9  o 133.862 3.0311 6584.85   297.395 7311.73   567.259  6309.34   349.238  140.618 5.5038 130.953 3.6385 9.665222       6.597746  
1 1 1 6  10 10 o 35.936  0.9523 473.416   25.083  516.273   42.548   450.587   31.054   37.519  1.5472 35.056  1.2086 2.462624       1.963289  
1 1 1 6  10 11 o 76.164  1.5034 2127.64   83.925  2171.92   139.778  2102.68   104.946  76.899  2.4799 75.698  1.8915 1.200905       3.118944  
1 1 1 6  10 12 o 129.471 2.5314 6158.15   240.224 5777.38   368.513  6439.52   316.781  125.174 4.0166 132.288 3.2671 -7.115021      5.177526  
1 1 1 6  10 13 o 39.532  0.9441 572.929   27.356  576.099   38.908   569.830   38.469   39.634  1.3393 39.418  1.3315 0.2160873      1.888568  
1 1 1 6  10 14 o 52.893  1.2267 1025.94   47.558  1028.64   67.446   1023.26   67.071   52.947  1.7380 52.808  1.7328 0.1385345      2.454202  
1 1 1 6  10 15 o 170.231 3.8476 10687.14  480.081 10312.53  654.711  11122.82  706.068  166.730 5.3574 173.074 5.5659 -6.343414      7.725332  
1 1 1 6  10 16 o 121.124 3.3652 5405.02   298.762 5822.14   453.335  5084.76   397.228  125.333 4.9349 117.208 4.6238 8.124947       6.762598  
1 1 1 6  10 17 o 55.598  1.5719 1134.26   64.057  1110.88   88.419   1160.10   92.930   54.989  2.1938 56.190  2.2564 -1.201000      3.147076  
1 1 1 6  10 18 o 54.112  1.1684 1073.94   46.341  1005.82   66.155   1139.57   64.933   52.342  1.7244 55.721  1.5899 -3.379078      2.345456  
1 1 1 6  10 19 o 44.600  0.9171 729.438   29.980  704.881   41.074   757.437   43.858   43.830  1.2786 45.433  1.3170 -1.602951      1.835568  
1 1 1 6  10 20 o 83.659  1.6590 2571.17   101.730 2627.15   146.965  2519.67   140.959  84.457  2.3741 82.720  2.3249 1.737305       3.322847  
1 1 1 6  10 21 o 49.917  1.1813 914.638   43.219  1010.98   66.813   845.324   56.672   52.431  1.7386 47.955  1.6123 4.475842       2.371137  
1 1 1 6  10 22 o 81.098  1.6068 2419.70   95.514  2403.50   133.983  2436.44   136.199  80.672  2.2659 81.217  2.2880 -0.5448685     3.220110  
1 1 1 6  10 23 o 40.555  0.8582 603.590   25.511  585.094   34.928   624.736   37.348   39.902  1.1943 41.228  1.2359 -1.325626      1.718675  
1 1 1 6  10 24 o 44.874  1.0791 739.931   35.493  756.588   50.943   724.218   49.479   45.315  1.5338 44.337  1.5226 0.9782524      2.161181  
1 1 1 6  10 25 o 48.102  0.9986 850.064   35.208  801.037   46.993   912.800   53.159   46.643  1.3746 49.777  1.4570 -3.133446      2.003092  
1 1 1 6  10 26 o 21.968  0.5878 177.027   9.4647  182.312   13.560   172.004   13.217   22.283  0.8302 21.644  0.8332 0.6392536      1.176187  
1 1 1 6  10 27 o 10.746  0.6497 42.532    5.0934  45.556    7.2588   39.598    7.1487   11.099  0.9000 10.337  0.9543 0.7626600      1.311760  
1 1 1 6  10 28 o 39.524  0.8493 574.020   24.604  602.273   36.124   549.572   33.603   40.428  1.2191 38.624  1.1870 1.803745       1.701505  
1 1 1 6  10 29 o 5.2992  1.4540 10.717    5.8178  5.9507    7.4441   18.197    9.3255   4.5398  1.6829 6.8727  1.8218 -2.332899      2.480158  
1 1 1 6  10 30 o 33.260  0.8055 406.769   19.638  456.429   32.408   377.956   24.686   35.149  1.2580 32.024  1.0517 3.125202       1.639688  
1 1 1 6  11 0  o 166.138 4.5877 10159.00  557.696 10034.78  778.847  10289.72  798.939  164.766 6.4718 166.837 6.5564 0.000000       0.000000  
1 1 1 6  11 1  o 104.351 2.0467 3993.91   156.540 4108.27   202.809  3825.37   246.210  105.808 2.6151 102.060 3.2913 3.747292       4.203750  
1 1 1 6  11 2  o 182.320 3.5547 12212.75  475.032 12393.68  608.084  11929.44  760.920  183.523 4.5206 179.823 5.7732 3.700409       7.332450  
1 1 1 6  11 3  o 94.535  1.8465 3277.55   127.946 3338.29   164.887  3185.64   202.837  95.386  2.3584 93.147  2.9709 2.238174       3.793247  
1 1 1 6  11 4  o 144.637 2.8214 7680.43   299.106 7493.63   369.160  8037.41   510.328  142.795 3.5271 147.723 4.7132 -4.928177      5.886871  
1 1 1 6  11 5  o 108.675 2.1283 4333.00   169.531 4165.77   230.802  4528.96   249.835  106.502 2.9567 111.038 3.0697 -4.536415      4.262053  
1 1 1 6  11 6  o 149.738 2.9208 8235.99   320.566 8437.33   463.521  8051.39   443.817  151.376 4.1776 147.887 4.0944 3.488968       5.849527  
1 1 1 6  11 7  o 152.248 2.9822 8517.37   332.788 8625.21   476.137  8414.37   465.317  153.000 4.2458 151.127 4.2007 1.873032       5.972688  
1 1 1 6  11 8  o 197.185 3.8548 14317.56  557.130 14362.45  910.663  14290.71  704.314  196.707 6.3162 196.717 4.8848 -0.9674072E-02 7.984713  
1 1 1 6  11 9  o 64.236  1.6099 1513.58   75.799  1727.23   190.753  1473.52   82.600   68.372  3.8217 63.374  1.7782 4.997784       4.215126  
1 1 1 6  11 10 f 66.691  1.3168 1631.07   64.368  1581.81   102.218  1663.44   82.859   65.641  2.1246 67.336  1.6789 -1.694160      2.707824  
1 1 1 6  11 11 o 103.567 2.0254 3937.32   153.748 3997.01   254.643  3903.07   192.871  104.204 3.3340 103.066 2.5531 1.137802       4.199298  
1 1 1 6  11 12 o 42.897  0.8763 674.589   27.553  752.442   49.704   640.053   33.105   45.291  1.4973 41.781  1.0810 3.509895       1.846728  
1 1 1 6  11 13 o 127.683 2.8922 5995.97   270.670 6044.43   386.199  5949.18   379.459  127.964 4.1176 126.961 4.0777 1.003532       5.795004  
1 1 1 6  11 14 o 15.556  0.6017 88.697    6.8600  89.607    10.015   87.892    9.4160   15.609  0.8789 15.461  0.8340 0.1477900      1.211588  
1 1 1 6  11 15 o 21.763  0.5586 173.602   8.9106  174.164   12.645   173.048   12.558   21.797  0.7915 21.727  0.7886 0.6989479E-01  1.117301  
1 1 1 6  11 16 o 37.274  0.7888 509.323   21.549  525.262   31.228   494.835   29.773   37.846  1.1258 36.734  1.1058 1.112072       1.578016  
1 1 1 6  11 17 o 65.537  1.6462 1576.60   79.079  1610.64   127.223  1555.16   100.950  66.160  2.6236 65.056  2.1171 1.103386       3.371214  
1 1 1 6  11 18 o 98.643  1.9420 3575.69   140.413 3594.21   199.363  3557.46   197.793  98.764  2.7540 98.259  2.7464 0.5047989      3.889340  
1 1 1 6  11 19 o 32.441  0.7123 385.870   16.936  396.120   24.425   376.377   23.505   32.862  1.0140 32.033  1.0011 0.8290482      1.424944  
1 1 1 6  11 20 o 76.098  1.5096 2127.51   84.199  2043.18   114.578  2226.53   124.149  74.488  2.0986 77.744  2.1787 -3.255997      3.025034  
1 1 1 6  11 21 o 14.704  0.6179 79.278    6.6593  74.086    9.1315   85.176    9.7326   14.183  0.8828 15.212  0.8766 -1.028668      1.244102  
1 1 1 6  11 22 o 33.267  0.7829 406.033   19.090  407.914   25.287   403.538   29.111   33.330  1.0351 33.139  1.1985 0.1903229      1.583607  
1 1 1 6  11 23 f 36.652  0.7863 492.968   21.122  476.802   28.955   511.357   30.881   36.023  1.0966 37.303  1.1295 -1.279606      1.574260  
1 1 1 6  11 24 o 19.252  0.5591 135.931   7.8892  131.387   10.942   140.852   11.385   18.920  0.7890 19.589  0.7930 -0.6694508     1.118637  
1 1 1 6  11 25 f 44.387  0.9254 723.708   30.108  702.870   41.504   746.854   43.742   43.694  1.2959 45.036  1.3251 -1.341755      1.853482  
1 1 1 6  11 26 o 38.973  0.8409 557.797   24.019  536.743   32.688   582.506   35.412   38.193  1.1677 39.781  1.2145 -1.588310      1.684763  
1 1 1 6  11 27 o 33.347  0.8531 408.547   20.852  402.906   29.068   414.529   29.929   33.075  1.1990 33.546  1.2172 -0.4711609     1.708609  
1 1 1 6  11 28 o 11.174  1.3275 46.744    10.660  38.690    14.567   56.031    15.642   10.008  2.0546 12.152  1.8116 -2.143509      2.739218  
1 1 1 6  11 29 o 20.487  0.8207 154.349   12.324  172.427   17.752   137.534   17.121   21.592  1.1256 19.262  1.2190 2.330702       1.659185  
1 1 1 6  11 30 o 29.415  0.8147 318.210   17.564  292.246   22.644   357.423   27.829   28.150  1.0975 31.108  1.2205 -2.957970      1.641381  
1 1 1 6  12 0  o 60.822  1.7178 1359.48   76.443  1493.94   165.423  1322.98   86.198   63.493  3.5807 59.971  1.9658 0.000000       0.000000  
1 1 1 6  12 1  o 70.540  1.3861 1824.50   71.666  1877.31   93.226   1748.22   112.052  71.541  1.7779 69.022  2.2149 2.519653       2.840175  
1 1 1 6  12 2  o 218.078 4.2695 17516.88  682.451 17386.42  858.636  17740.66  1124.56  216.939 5.4000 218.535 7.0207 -1.596680      8.857207  
1 1 1 6  12 3  o 68.860  1.3512 1738.64   68.198  1734.05   86.130   1746.35   111.657  68.758  1.7090 68.982  2.2083 -0.2240906     2.792420  
1 1 1 6  12 4  o 21.944  0.5054 176.490   8.1292  172.027   10.244   184.078   13.359   21.664  0.6451 22.410  0.8133 -0.7451839     1.038122  
1 1 1 6  12 5  o 40.304  0.8225 595.433   24.297  543.732   31.680   669.278   37.862   38.510  1.1223 42.724  1.2090 -4.213894      1.649678  
1 1 1 6  12 6  o 131.780 2.5724 6378.56   248.464 6400.39   352.948  6357.11   349.834  131.855 3.6520 131.412 3.6320 0.4433136      5.150599  
1 1 1 6  12 7  o 88.176  1.7296 2852.48   111.786 2719.49   151.048  3013.52   166.217  86.054  2.3948 90.578  2.5036 -4.524002      3.464558  
1 1 1 6  12 8  o 83.511  1.6346 2558.50   100.053 2580.48   164.832  2545.68   125.900  83.795  2.6838 83.276  2.0626 0.5193405      3.384826  
1 1 1 6  12 9  o 121.369 3.0049 5418.36   267.312 5523.43   606.928  5393.07   297.747  121.425 6.8474 121.030 3.3564 0.3945465      7.625747  
1 1 1 6  12 10 o 19.729  0.5380 142.670   7.7798  140.707   11.726   144.214   10.398   19.592  0.8166 19.835  0.7152 -0.2432880     1.085504  
1 1 1 6  12 11 o 137.747 2.6977 6975.75   272.368 7201.46   459.055  6853.13   338.359  139.569 4.4874 136.408 3.3842 3.161484       5.620460  
1 1 1 6  12 12 o 145.079 2.8498 7741.72   303.043 7766.82   499.945  7727.15   381.019  144.861 4.7086 144.788 3.5903 0.7223511E-01  5.921240  
1 1 1 6  12 13 o 114.812 2.2482 4842.21   189.190 4751.12   303.898  4899.84   241.751  113.509 3.6527 115.410 2.8579 -1.900688      4.637857  
1 1 1 6  12 14 o 85.161  2.1221 2663.86   132.463 2667.72   210.612  2661.34   170.381  85.076  3.3775 85.058  2.7329 0.1818848E-01  4.344705  
1 1 1 6  12 15 o 29.782  0.6611 325.123   14.432  342.983   21.174   309.626   19.723   30.585  0.9445 29.060  0.9260 1.525015       1.322710  
1 1 1 6  12 16 o 41.250  0.8530 623.877   25.789  648.058   37.674   602.552   35.378   42.032  1.2229 40.531  1.1909 1.501656       1.706910  
1 1 1 6  12 17 o 65.350  1.6492 1568.21   78.997  1553.82   122.593  1578.43   103.304  64.958  2.5748 65.518  2.1512 -0.5597153     3.355207  
1 1 1 6  12 18 f 94.755  1.8660 3300.50   129.596 3198.50   177.376  3417.30   189.809  93.146  2.5981 96.259  2.6903 -3.112801      3.739976  
1 1 1 6  12 19 o 35.263  0.7574 456.001   19.577  465.297   28.125   447.263   27.268   35.610  1.0775 34.913  1.0656 0.6964264      1.515434  
1 1 1 6  12 20 o 41.765  0.8766 639.943   26.833  625.314   37.105   655.982   38.851   41.264  1.2268 42.262  1.2542 -0.9977875     1.754467  
1 1 1 6  12 21 o 47.561  0.9766 830.396   34.043  799.209   46.414   866.708   50.083   46.622  1.3582 48.545  1.4076 -1.923004      1.956024  
1 1 1 6  12 22 f 15.678  0.6344 90.158    7.2903  90.106    10.567   90.205    10.070   15.639  0.9260 15.651  0.8814 -0.1247692E-01 1.278458  
1 1 1 6  12 23 o 10.996  0.6474 44.511    5.1947  40.771    7.1416   48.713    7.5700   10.494  0.9384 11.482  0.9069 -0.9873714     1.304991  
1 1 1 6  12 24 o 30.766  0.6946 347.338   15.663  326.019   21.009   374.015   23.501   29.789  0.9622 31.902  1.0050 -2.113811      1.391386  
1 1 1 6  12 25 o 42.614  0.8974 667.129   28.031  713.408   41.936   629.753   37.687   44.009  1.3001 41.358  1.2432 2.651829       1.798828  
1 1 1 6  12 26 o 32.896  0.7418 397.325   17.887  364.418   23.417   443.416   27.714   31.479  1.0149 34.715  1.0892 -3.235731      1.488752  
1 1 1 6  12 27 o 17.279  0.5654 109.554   7.1602  113.217   10.161   105.941   10.091   17.554  0.7897 16.980  0.8108 0.5746174      1.131878  
1 1 1 6  12 28 o 21.802  0.7055 174.632   11.274  168.344   15.867   181.042   16.021   21.378  1.0126 22.172  0.9858 -0.7944908     1.413259  
1 1 1 6  12 29 o 21.502  0.6462 169.825   10.184  160.538   14.980   177.807   13.888   20.874  0.9791 21.981  0.8620 -1.107113      1.304458  
1 1 1 6  13 0  o 95.586  2.6552 3360.26   185.698 3242.86   206.717  3851.08   422.673  93.849  3.0122 101.749 5.7086 -0.000000      0.000000  
1 1 1 6  13 1  o 111.340 2.1727 4550.62   177.307 4623.92   227.993  4438.44   282.043  112.175 2.7730 109.815 3.5041 2.360580       4.468543  
1 1 1 6  13 2  o 69.416  1.3618 1767.09   69.289  1787.57   88.667   1734.97   111.047  69.803  1.7330 68.746  2.2039 1.057487       2.803635  
1 1 1 6  13 3  o 74.357  1.4582 2027.83   79.474  1982.57   98.398   2112.76   134.789  73.506  1.8263 75.846  2.4246 -2.339943      3.035475  
1 1 1 6  13 4  o 154.430 3.0131 8769.95   341.055 8703.91   428.753  8883.72   562.791  153.692 3.8061 154.980 4.9544 -1.287796      6.247577  
1 1 1 6  13 5  o 14.612  0.4670 78.254    5.0015  79.088    6.7746   77.254    7.4152   14.689  0.6292 14.518  0.6969 0.1716166      0.9389086 
1 1 1 6  13 6  o 32.089  0.6703 377.441   15.766  362.948   21.702   393.642   22.944   31.464  0.9410 32.768  0.9553 -1.303278      1.340956  
1 1 1 6  13 7  o 84.387  1.6539 2612.85   102.296 2635.62   145.916  2590.84   143.453  84.704  2.3503 83.983  2.3304 0.7208939      3.309802  
1 1 1 6  13 8  o 57.299  1.3143 1204.15   55.198  1195.31   94.748   1208.69   67.913   57.046  2.2660 57.396  1.6143 -0.3503304     2.782253  
1 1 1 6  13 9  o 34.303  0.8257 431.373   20.762  396.682   33.502   453.003   26.454   32.886  1.3899 35.150  1.0268 -2.264065      1.728034  
1 1 1 6  13 10 o 89.969  1.7625 2970.70   116.227 2958.36   189.308  2978.16   147.245  89.674  2.8802 90.043  2.2311 -0.3685226     3.643222  
1 1 1 6  13 11 o 61.780  1.2278 1399.75   55.597  1375.14   89.379   1415.29   71.007   61.198  1.9926 62.108  1.5598 -0.9093895     2.530480  
1 1 1 6  13 12 o 37.192  0.8313 507.097   22.660  523.770   35.570   495.708   29.397   37.789  1.2842 36.767  1.0909 1.022072       1.684980  
1 1 1 6  13 13 o 90.549  1.7795 3009.86   118.102 3070.84   196.792  2975.53   147.647  91.328  2.9398 89.987  2.2385 1.341667       3.695086  
1 1 1 6  13 14 o 90.506  2.0564 3009.24   136.416 3147.31   201.501  2892.42   185.351  92.437  2.9741 88.632  2.8531 3.804359       4.121353  
1 1 1 6  13 15 o 65.508  1.3030 1574.37   62.561  1483.77   83.371   1691.14   94.647   63.564  1.7895 67.852  1.9031 -4.287498      2.612279  
1 1 1 6  13 16 o 111.905 2.1941 4606.06   179.962 4613.46   254.814  4598.70   254.196  111.791 3.1098 111.613 3.1072 0.1783295      4.396130  
1 1 1 6  13 17 o 84.840  1.9307 2646.74   120.059 2610.76   167.284  2684.96   172.412  84.124  2.7130 85.302  2.7576 -1.177696      3.868425  
1 1 1 6  13 18 o 85.555  1.6921 2690.81   106.109 2776.77   154.303  2613.70   146.150  86.769  2.4262 84.195  2.3683 2.573761       3.390455  
1 1 1 6  13 19 o 5.9117  0.9376 13.139    3.9271  9.3557    5.3840   17.441    5.7408   4.9828  1.4105 6.7923  1.1969 -1.809501      1.849860  
1 1 1 6  13 20 o 30.504  0.6860 341.290   15.337  350.798   22.116   332.482   21.287   30.913  0.9761 30.095  0.9650 0.8172684      1.372570  
1 1 1 6  13 21 o 91.029  1.8006 3058.16   120.140 3108.20   172.461  3010.97   167.455  91.438  2.5733 90.014  2.5381 1.424225       3.614351  
1 1 1 6  13 22 o 36.372  0.9115 485.849   24.299  476.590   33.970   495.550   34.772   35.985  1.2879 36.693  1.2929 -0.7082176     1.824916  
1 1 1 6  13 23 o 27.407  0.8877 275.879   17.832  277.045   24.708   274.611   25.762   27.437  1.2286 27.311  1.2870 0.1263752      1.779263  
1 1 1 6  13 24 o 13.221  0.5490 64.116    5.3198  69.886    7.6859   58.809    7.3708   13.776  0.7642 12.630  0.8003 1.145693       1.106580  
1 1 1 6  13 25 o 23.092  0.6019 195.658   10.187  222.897   15.533   175.099   13.494   24.632  0.8603 21.833  0.8433 2.799141       1.204682  
1 1 1 6  13 26 o 7.4343  0.7792 20.523    4.1825  15.624    5.7027   26.227    6.1529   6.4000  1.2605 8.3811  1.0228 -1.981089      1.623291  
1 1 1 6  13 27 o 22.719  0.6016 189.484   10.017  194.824   14.343   184.399   13.996   23.016  0.8502 22.392  0.8528 0.6245079      1.204205  
1 1 1 6  13 28 o 30.260  0.9065 337.121   20.106  366.513   28.021   305.933   28.865   31.494  1.2139 28.741  1.3702 2.752613       1.830571  
1 1 1 6  14 0  o 70.149  1.9571 1809.13   100.450 1668.16   185.185  1867.90   119.569  67.044  3.7963 71.241  2.2953 0.000000       0.000000  
1 1 1 6  14 1  o 123.954 2.4148 5645.09   219.390 5642.90   310.159  5647.28   310.368  123.772 3.4188 123.820 3.4198 -0.4790497E-01 4.835678  
1 1 1 6  14 2  o 205.842 4.0234 15638.84  607.028 15651.55  768.575  15617.78  989.691  205.483 5.1030 204.481 6.6034 1.002289       8.345387  
1 1 1 6  14 3  o 209.655 4.1077 16230.09  631.231 16553.34  815.073  15745.68  997.774  211.226 5.2646 205.274 6.6316 5.951889       8.467238  
1 1 1 6  14 4  o 151.185 2.9580 8409.71   327.783 8409.49   415.450  8410.07   533.487  151.001 3.7537 150.694 4.8300 0.3070374      6.117095  
1 1 1 6  14 5  o 17.042  0.4507 106.445   5.6296  104.760   8.0236   108.079   7.9007   16.906  0.6475 17.171  0.6277 -0.2657833     0.9018567 
1 1 1 6  14 6  o 135.373 2.6472 6738.09   262.660 6333.31   349.061  7266.46   398.804  131.055 3.6339 140.318 3.8776 -9.263519      5.314208  
1 1 1 6  14 7  f 96.006  1.8800 3383.61   132.296 3387.69   187.384  3379.55   186.806  95.983  2.6635 95.868  2.6585 0.1147995      3.763262  
1 1 1 6  14 8  o 103.502 2.3417 3936.42   177.647 3882.22   303.566  3964.65   219.077  102.519 4.0399 103.802 2.8795 -1.283211      4.961034  
1 1 1 6  14 9  o 24.467  0.6419 219.430   11.511  234.269   20.774   212.855   13.827   25.275  1.1214 24.096  0.7829 1.179005       1.367608  
1 1 1 6  14 10 o 89.899  1.7643 2966.52   116.254 2987.00   191.016  2954.47   146.512  90.089  2.8928 89.674  2.2291 0.4147720      3.652005  
1 1 1 6  14 11 o 88.573  1.7385 2879.78   112.866 2929.44   187.607  2851.61   141.297  89.209  2.8692 88.097  2.1882 1.111862       3.608402  
1 1 1 6  14 12 o 110.983 2.1710 4526.42   176.601 4560.15   290.516  4506.66   222.412  111.137 3.5664 110.650 2.7424 0.4872360      4.498856  
1 1 1 6  14 13 o 61.472  1.2238 1386.15   55.140  1401.22   91.163   1377.45   69.242   61.757  2.0140 61.262  1.5420 0.4942589      2.536532  
1 1 1 6  14 14 o 70.670  1.6166 1833.62   83.740  1767.22   114.165  1910.94   123.203  69.320  2.2469 72.074  2.3322 -2.753883      3.238472  
1 1 1 6  14 15 o 108.922 2.4714 4369.52   197.309 4462.69   349.271  4325.85   239.120  109.510 4.3514 108.246 3.0139 1.264168       5.293189  
1 1 1 6  14 16 o 134.169 3.0438 6655.90   299.326 6522.83   414.694  6800.63   432.490  132.252 4.2780 134.988 4.3712 -2.735519      6.116278  
1 1 1 6  14 17 o 36.005  0.7648 475.397   20.183  480.108   28.750   470.819   28.340   36.170  1.0844 35.819  1.0794 0.3513794      1.530090  
1 1 1 6  14 18 o 28.088  0.6436 289.306   13.250  264.748   17.471   322.555   20.329   26.862  0.8873 29.649  0.9355 -2.786137      1.289362  
1 1 1 6  14 19 o 42.844  0.8873 673.669   27.862  677.512   39.554   669.884   39.254   42.935  1.2569 42.693  1.2544 0.2421532      1.775785  
1 1 1 6  14 20 o 78.342  1.5551 2261.42   89.294  2304.92   128.557  2220.87   124.122  78.871  2.2238 77.433  2.1870 1.437576       3.118990  
1 1 1 6  14 21 o 12.175  0.5788 54.372    5.1653  52.767    7.1355   56.138    7.4868   11.961  0.8188 12.338  0.8328 -0.3765650     1.167919  
1 1 1 6  14 22 o 27.221  0.8231 272.081   16.423  273.115   26.631   271.447   20.862   27.229  1.3343 27.173  1.0475 0.5672455E-01  1.696366  
1 1 1 6  14 23 o 27.088  0.7413 269.361   14.717  279.396   20.986   259.650   20.644   27.565  1.0387 26.571  1.0600 0.9937057      1.484107  
1 1 1 6  14 24 o 29.727  0.6795 324.364   14.806  325.510   20.892   323.207   20.987   29.757  0.9579 29.650  0.9657 0.1061821      1.360198  
1 1 1 6  14 25 o 22.361  0.5915 183.494   9.6947  193.661   14.010   174.154   13.429   22.957  0.8326 21.769  0.8416 1.187534       1.183885  
1 1 1 6  14 26 o 15.259  0.5616 85.455    6.2808  96.130    9.2870   76.458    8.5265   16.172  0.7835 14.399  0.8112 1.773543       1.127800  
1 1 1 6  14 27 o 31.707  0.7213 369.524   16.762  372.519   23.774   366.564   23.637   31.789  1.0203 31.533  1.0227 0.2555046      1.444635  
1 1 1 6  14 28 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 6  15 0  f 43.764  1.2467 703.898   39.916  630.843   71.652   736.773   48.066   41.255  2.3879 44.753  1.4689 0.000000       0.000000  
1 1 1 6  15 1  f 46.853  0.9359 804.843   32.141  828.348   46.765   783.800   44.248   47.521  1.3426 46.227  1.3059 1.294373       1.872979  
1 1 1 6  15 2  o 66.102  1.3006 1602.66   63.014  1615.45   89.921   1590.32   88.331   66.336  1.8494 65.820  1.8310 0.5168839      2.602431  
1 1 1 6  15 3  o 91.996  1.7984 3106.62   121.263 3038.29   150.173  3234.67   205.575  90.936  2.2531 93.739  2.9921 -2.802200      3.745486  
1 1 1 6  15 4  o 24.203  0.5786 214.712   10.265  218.928   14.105   209.964   14.967   24.438  0.7875 23.931  0.8533 0.5061646      1.161116  
1 1 1 6  15 5  o 49.704  0.9925 905.844   36.157  924.989   52.241   888.241   50.095   50.213  1.4194 49.207  1.3889 1.006458       1.985930  
1 1 1 6  15 6  o 91.165  1.7840 3050.88   119.205 3093.09   170.717  3010.72   166.524  91.716  2.5395 90.490  2.5107 1.226082       3.571090  
1 1 1 6  15 7  o 115.062 2.2465 4864.77   189.459 4908.77   270.520  4822.42   265.423  115.424 3.1976 114.410 3.1651 1.013550       4.499181  
1 1 1 6  15 8  o 148.663 3.6776 8158.46   400.726 7965.33   874.797  8209.75   450.805  144.563 8.2907 148.989 4.1281 -4.426590      9.261556  
1 1 1 6  15 9  o 77.760  1.5284 2218.89   87.111  2192.13   140.760  2235.49   110.898  77.206  2.4874 78.019  1.9393 -0.8128815     3.154043  
1 1 1 6  15 10 o 58.405  1.1612 1251.12   49.708  1190.91   77.712   1292.81   64.667   56.946  1.8618 59.355  1.4864 -2.408585      2.382426  
1 1 1 6  15 11 o 32.735  0.6946 392.844   16.666  380.583   26.690   400.680   21.338   32.212  1.1304 33.057  0.8806 -0.8447990     1.432953  
1 1 1 6  15 12 o 77.589  1.5294 2209.73   86.977  2182.32   140.866  2226.61   110.571  77.004  2.4958 77.847  1.9378 -0.8428192     3.159787  
1 1 1 6  15 13 o 51.698  1.0402 980.309   39.415  975.698   64.056   983.119   50.002   51.541  1.6956 51.759  1.3180 -0.2183456     2.147619  
1 1 1 6  15 14 o 100.210 2.1036 3694.97   154.510 3675.60   235.206  3709.67   204.930  99.680  3.2193 100.257 2.7887 -0.5774155     4.259207  
1 1 1 6  15 15 o 46.465  1.0933 792.206   37.235  789.351   65.037   793.599   45.414   46.321  1.9156 46.491  1.3327 -0.1703682     2.333574  
1 1 1 6  15 16 o 58.188  1.6478 1245.00   70.277  1387.37   154.112  1207.62   78.966   60.983  3.4621 57.278  1.8809 3.704548       3.940068  
1 1 1 6  15 17 f 46.056  0.9455 778.415   31.916  750.905   43.693   809.886   46.733   45.205  1.3187 46.943  1.3582 -1.737988      1.893057  
1 1 1 6  15 18 o 99.018  1.9540 3619.46   141.813 3564.93   197.767  3677.17   203.463  97.918  2.7556 99.429  2.7919 -1.510536      3.922702  
1 1 1 6  15 19 o 48.326  0.9875 857.828   34.978  925.440   52.865   805.182   46.648   50.130  1.4388 46.772  1.3607 3.358521       1.980312  
1 1 1 6  15 20 o 29.544  0.6693 320.277   14.493  334.501   21.053   307.463   19.982   30.175  0.9519 28.930  0.9424 1.244513       1.339460  
1 1 1 6  15 21 o 38.445  0.8157 542.756   22.985  546.483   32.597   539.072   32.415   38.539  1.1540 38.276  1.1554 0.2623901      1.632984  
1 1 1 6  15 22 o 38.469  0.9498 543.934   26.781  512.388   35.838   583.828   40.301   37.287  1.3113 39.790  1.3819 -2.502392      1.905002  
1 1 1 6  15 23 o 34.767  0.7590 443.885   19.342  440.299   27.065   447.627   27.651   34.592  1.0675 34.877  1.0817 -0.2847710     1.519700  
1 1 1 6  15 24 o 22.395  0.5922 184.061   9.7215  172.154   13.017   199.077   14.618   21.645  0.8205 23.273  0.8570 -1.628193      1.186429  
1 1 1 6  15 25 o 35.993  0.8432 476.378   22.244  445.460   27.784   531.576   37.124   34.766  1.0903 37.925  1.3355 -3.158981      1.724056  
1 1 1 6  15 26 o 26.961  0.6589 267.052   13.021  252.635   17.562   284.654   19.405   26.193  0.9148 27.798  0.9524 -1.604776      1.320573  
1 1 1 6  15 27 o 11.152  0.6814 45.885    5.5430  37.473    7.3969   56.660    8.3713   10.028  1.0206 12.365  0.9305 -2.337660      1.381116  
1 1 1 6  16 0  o 50.716  1.4343 945.432   53.219  972.375   63.170   879.542   98.786   51.408  1.6806 48.700  2.7884 -0.000000      0.000000  
1 1 1 6  16 1  o 61.797  1.2178 1400.67   55.158  1367.38   76.255   1437.20   79.883   61.034  1.7046 62.571  1.7418 -1.536671      2.437112  
1 1 1 6  16 2  o 41.474  0.8356 630.622   25.403  619.727   35.433   642.143   36.437   41.106  1.1760 41.843  1.1881 -0.7364960     1.671702  
1 1 1 6  16 3  o 25.472  0.5578 237.829   10.414  241.490   13.488   232.426   16.386   25.666  0.7170 25.178  0.8879 0.4882584      1.141251  
1 1 1 6  16 4  o 89.432  1.7506 2936.19   114.751 3091.71   170.657  2807.83   155.030  91.683  2.5395 87.387  2.4204 4.296028       3.508210  
1 1 1 6  16 5  o 81.766  1.6027 2453.75   96.053  2467.03   136.824  2440.85   134.876  81.925  2.2786 81.491  2.2581 0.4337463      3.207948  
1 1 1 6  16 6  o 48.993  0.9784 880.154   35.134  904.512   51.086   858.295   48.396   49.651  1.4038 48.368  1.3651 1.283615       1.958097  
1 1 1 6  16 7  o 98.090  1.9192 3534.07   137.986 3519.42   194.498  3548.92   195.790  97.776  2.7140 98.184  2.7206 -0.4079208     3.842834  
1 1 1 6  16 8  o 41.276  1.1835 624.945   35.805  633.661   71.652   622.045   41.336   41.440  2.3689 41.174  1.3697 0.2656937      2.736342  
1 1 1 6  16 9  o 47.736  0.9591 835.617   33.557  798.572   52.685   860.904   43.528   46.643  1.5411 48.443  1.2259 -1.800282      1.969201  
1 1 1 6  16 10 o 36.913  0.7670 499.553   20.752  474.311   32.538   516.859   26.943   35.956  1.2346 37.542  0.9791 -1.585598      1.575763  
1 1 1 6  16 11 o 45.988  0.9305 775.593   31.366  755.465   50.322   788.381   40.112   45.362  1.5135 46.356  1.1805 -0.9939423     1.919483  
1 1 1 6  16 12 o 64.146  1.2714 1510.12   59.778  1484.08   96.306   1526.44   76.242   63.515  2.0687 64.463  1.6136 -0.9481468     2.623611  
1 1 1 6  16 13 o 47.671  0.9641 833.630   33.688  813.191   54.016   846.640   43.096   47.047  1.5664 48.028  1.2242 -0.9811897     1.988087  
1 1 1 6  16 14 o 54.781  1.0971 1101.33   44.051  1079.28   70.721   1115.31   56.309   54.168  1.7812 55.104  1.3942 -0.9359550     2.261981  
1 1 1 6  16 15 o 26.572  0.7193 258.943   14.009  252.127   24.448   262.275   17.093   26.199  1.2731 26.738  0.8722 -0.5380955     1.543236  
1 1 1 6  16 16 o 62.962  1.4526 1458.07   67.037  1540.61   122.631  1422.89   80.057   64.466  2.5953 62.146  1.7575 2.319695       3.134423  
1 1 1 6  16 17 o 37.153  0.7818 506.518   21.290  544.422   37.167   488.008   25.973   38.473  1.3180 36.455  0.9720 2.017570       1.637693  
1 1 1 6  16 18 o 16.800  0.5595 103.511   6.8895  101.879   10.417   104.780   9.1850   16.636  0.8573 16.897  0.7416 -0.2613735     1.133531  
1 1 1 6  16 19 o 35.788  0.7653 470.171   20.075  457.607   27.718   484.032   29.115   35.278  1.0720 36.280  1.0949 -1.001747      1.532286  
1 1 1 6  16 20 o 51.770  1.0577 985.688   40.135  970.289   55.848   1002.14   57.719   51.275  1.4860 52.104  1.5114 -0.8284225     2.119526  
1 1 1 6  16 21 o 43.753  0.9080 703.559   29.120  709.380   41.415   697.866   40.954   43.872  1.2879 43.515  1.2840 0.3567619      1.818652  
1 1 1 6  16 22 o 17.738  1.3406 116.726   17.301  116.726   17.301   0.0000    0.0000   17.738  1.3406 ?       ?      0.000000       1.340587  
1 1 1 6  16 23 o 14.061  0.6799 72.592    7.0068  81.968    8.7170   55.474    11.778   14.914  0.8003 12.187  1.3408 2.727934       1.561470  
1 1 1 6  16 24 o 2.0508  0.9765 -5.2459   4.0376  -5.0578   5.5187   -5.4626   5.9228   2.5818  1.2015 2.6708  1.2435 -0.8899403E-01 1.729096  
1 1 1 6  16 25 o 10.616  0.6534 41.561    5.0595  47.830    7.1315   35.207    7.1792   11.367  0.8624 9.7189  1.0232 1.648172       1.338140  
1 1 1 6  16 26 o 13.361  0.6182 65.594    6.0547  70.954    8.6276   60.393    8.4991   13.855  0.8538 12.769  0.9141 1.085373       1.250806  
1 1 1 6  17 0  o 110.349 3.0569 4486.08   246.819 4464.51   283.725  4553.19   500.454  109.987 3.5277 110.270 6.2376 -0.000000      0.000000  
1 1 1 6  17 1  o 52.116  1.0347 996.065   39.525  1033.08   57.855   963.669   54.126   53.056  1.4877 51.245  1.4410 1.811081       2.071208  
1 1 1 6  17 2  o 71.947  1.4142 1899.51   74.578  1947.09   108.266  1856.55   102.879  72.793  2.0292 71.086  1.9745 1.707558       2.831310  
1 1 1 6  17 3  o 44.407  0.8987 723.073   29.252  728.562   42.062   717.932   40.709   44.563  1.2878 44.238  1.2555 0.3250885      1.798505  
1 1 1 6  17 4  o 84.877  1.6616 2645.09   103.370 2672.35   147.862  2619.02   144.568  85.232  2.3668 84.382  2.3375 0.8508530      3.326511  
1 1 1 6  17 5  o 112.840 2.2113 4682.19   182.894 4818.54   265.692  4559.40   252.141  114.267 3.1723 111.171 3.0944 3.096451       4.431564  
1 1 1 6  17 6  o 46.793  0.9391 802.957   32.208  819.609   46.554   787.670   44.606   47.261  1.3439 46.332  1.3135 0.9286652      1.879213  
1 1 1 6  17 7  o 23.522  0.5755 202.820   9.9215  206.238   15.672   200.533   12.817   23.715  0.9016 23.387  0.7477 0.3281689      1.171281  
1 1 1 6  17 8  o 43.178  1.1011 683.902   34.848  650.271   52.465   710.453   46.617   42.076  1.7012 43.994  1.4457 -1.917709      2.232518  
1 1 1 6  17 9  o 59.428  1.1782 1295.83   51.319  1286.02   83.409   1301.81   65.100   59.145  1.9240 59.544  1.4916 -0.3990822     2.434516  
1 1 1 6  17 10 o 6.8621  0.6651 17.426    3.3030  16.798    5.6780   17.748    4.0607   6.6632  1.2070 6.9086  0.8178 -0.2453504     1.457996  
1 1 1 6  17 11 o 102.189 2.0034 3843.36   150.056 3986.57   254.131  3766.71   185.929  103.682 3.3441 101.042 2.5105 2.639702       4.181561  
1 1 1 6  17 12 f 43.303  0.8829 687.843   28.023  713.095   47.633   674.477   34.654   44.054  1.4752 42.869  1.1029 1.185192       1.841853  
1 1 1 6  17 13 o 29.505  0.7574 319.289   16.379  333.121   30.182   313.515   19.501   30.111  1.3675 29.232  0.9101 0.8789768      1.642720  
1 1 1 6  17 14 o 19.274  0.5080 136.202   7.1765  130.409   11.644   139.750   9.1128   18.853  0.8427 19.521  0.6369 -0.6683636     1.056285  
1 1 1 6  17 15 o 34.296  0.8508 431.663   21.387  415.376   29.290   450.263   31.301   33.620  1.1886 35.000  1.2201 -1.380779      1.703406  
1 1 1 6  17 16 o 18.642  0.6051 127.470   8.2675  130.924   12.058   124.405   11.358   18.884  0.8711 18.409  0.8417 0.4750004      1.211365  
1 1 1 6  17 17 o 39.906  0.8330 584.718   24.364  630.051   42.713   562.854   29.663   41.352  1.4092 39.133  1.0342 2.218781       1.747990  
1 1 1 6  17 18 o 36.926  0.7814 500.658   21.149  530.650   36.517   485.521   25.943   37.949  1.3128 36.344  0.9739 1.605507       1.634621  
1 1 1 6  17 19 o 28.705  0.8557 302.724   18.003  267.408   26.515   332.932   24.523   26.930  1.3433 30.077  1.1124 -3.147652      1.744102  
1 1 1 6  17 20 o 6.1312  0.9236 14.126    4.0219  16.221    5.5532   11.816    5.8328   6.5337  1.2040 5.5529  1.4258 0.9807377      1.866092  
1 1 1 6  17 21 o 33.425  0.7344 410.317   17.992  402.014   24.954   419.307   25.965   33.051  1.0301 33.752  1.0496 -0.7006989     1.470580  
1 1 1 6  17 22 o 22.871  0.7474 192.166   12.529  212.810   19.675   178.083   16.250   24.033  1.1170 21.996  1.0080 2.037189       1.504526  
1 1 1 6  17 23 f 22.570  0.7065 187.159   11.688  168.322   15.674   210.751   17.541   21.378  1.0003 23.921  1.0005 -2.543095      1.414772  
1 1 1 6  17 24 o 34.902  0.7653 448.037   19.578  455.632   27.930   440.700   27.452   35.134  1.0846 34.553  1.0839 0.5803337      1.533390  
1 1 1 6  17 25 o 22.773  0.6033 190.536   10.070  195.835   14.314   185.343   14.171   23.059  0.8469 22.431  0.8619 0.6281853      1.208372  
1 1 1 6  17 26 o 4.2043  1.3054 6.5263    4.4448  3.6976    6.0765   9.7814    6.5184   3.8893  1.5023 5.1212  1.5794 -1.231923      2.179756  
1 1 1 6  18 0  o 122.215 3.3942 5510.99   303.518 5420.09   344.906  5822.99   639.022  121.070 3.8959 124.274 7.0677 -0.000000      0.000000  
1 1 1 6  18 1  o 34.482  0.7120 435.919   17.996  440.056   25.663   431.917   25.242   34.638  1.0108 34.317  1.0036 0.3216476      1.424393  
1 1 1 6  18 2  f 80.456  1.5788 2376.92   93.106  2375.90   131.688  2377.95   131.654  80.360  2.2358 80.395  2.2342 -0.3489685E-01 3.160760  
1 1 1 6  18 3  o 25.319  0.5567 234.982   10.332  228.072   14.475   242.157   14.751   24.940  0.7919 25.699  0.7831 -0.7587414     1.113682  
1 1 1 6  18 4  o 76.817  1.5079 2166.58   84.903  2287.65   146.324  2105.14   104.247  78.801  2.5334 75.681  1.8793 3.119560       3.154349  
1 1 1 6  18 5  o 65.812  1.2998 1589.62   62.699  1541.15   86.328   1643.72   91.212   64.757  1.8188 66.872  1.8609 -2.115639      2.602118  
1 1 1 6  18 6  o 96.243  1.8855 3405.47   133.004 3374.39   186.701  3437.50   189.523  95.650  2.6631 96.537  2.6785 -0.8867416     3.777052  
1 1 1 6  18 7  o 63.062  1.3355 1459.94   61.731  1429.54   92.635   1484.23   82.793   62.332  2.0276 63.542  1.7777 -1.210499      2.696536  
1 1 1 6  18 8  f 82.653  1.8735 2512.96   113.500 2491.01   159.217  2535.65   161.840  82.140  2.6446 82.868  2.6645 -0.7280502     3.754139  
1 1 1 6  18 9  o 96.557  1.8973 3431.01   134.278 3529.39   195.191  3342.64   185.012  97.716  2.7253 95.117  2.6538 2.599335       3.803911  
1 1 1 6  18 10 o 14.767  0.4686 79.940    5.0716  77.054    8.4744   81.550    6.3304   14.472  0.8020 14.914  0.5791 -0.4419079     0.9892622 
1 1 1 6  18 11 f 28.976  0.6344 307.870   13.474  305.611   22.185   309.190   16.960   28.855  1.0489 29.033  0.7970 -0.1780453     1.317387  
1 1 1 6  18 12 o 23.124  0.5447 196.055   9.2325  199.151   15.613   194.391   11.449   23.295  0.9144 23.022  0.6785 0.2728825      1.138625  
1 1 1 6  18 13 f 46.033  0.9342 777.902   31.520  782.648   52.023   775.150   39.620   46.106  1.5394 45.928  1.1769 0.1773415      1.937802  
1 1 1 6  18 14 o 6.7510  0.6822 16.891    3.3296  22.020    5.6211   14.119    4.1326   7.6746  1.0249 6.1288  0.9507 1.545832       1.397962  
1 1 1 6  18 15 o 33.016  0.8906 400.343   21.553  421.690   35.748   388.152   27.015   33.826  1.4419 32.487  1.1345 1.338112       1.834706  
1 1 1 6  18 16 o 38.828  1.1682 554.783   33.247  569.146   48.536   542.087   45.634   39.241  1.6875 38.308  1.6252 0.9324074      2.342873  
1 1 1 6  18 17 o 35.883  0.7641 472.827   20.096  479.593   33.379   468.980   25.169   36.075  1.2623 35.715  0.9614 0.3599892      1.586788  
1 1 1 6  18 18 o 31.386  0.6893 361.646   15.858  385.716   27.470   349.615   19.421   32.362  1.1581 30.845  0.8590 1.517574       1.441900  
1 1 1 6  18 19 o 42.853  0.8898 675.104   27.947  701.547   47.246   660.873   34.662   43.565  1.4796 42.361  1.1163 1.203629       1.853508  
1 1 1 6  18 20 o 13.944  0.5317 71.337    5.4336  70.132    8.8443   72.067    6.8866   13.783  0.8800 14.010  0.6706 -0.2265615     1.106453  
1 1 1 6  18 21 o 32.754  0.7251 394.137   17.408  378.481   23.667   412.591   25.696   32.061  1.0071 33.468  1.0475 -1.407177      1.453122  
1 1 1 6  18 22 o 25.312  0.6192 235.279   11.487  230.587   15.867   240.447   16.652   25.034  0.8647 25.561  0.8888 -0.5267754     1.240061  
1 1 1 6  18 23 o 14.455  0.7905 77.115    8.3438  104.309   15.718   66.445    9.8457   16.732  1.2916 13.383  1.0112 3.349000       1.640315  
1 1 1 6  18 24 o 12.458  0.6189 57.042    5.6516  61.085    7.9274   52.864    8.0592   12.849  0.8465 11.937  0.9284 0.9120388      1.256380  
1 1 1 6  18 25 o 10.901  0.6515 43.844    5.1816  45.047    7.1343   42.500    7.5381   11.018  0.8910 10.687  0.9730 0.3309984      1.319340  
1 1 1 6  19 0  o 131.283 3.6591 6374.61   351.477 7454.35   816.247  6128.84   389.429  139.669 8.0342 128.555 4.1427 0.000000       0.000000  
1 1 1 6  19 1  o 73.745  1.4483 1997.39   78.286  2018.91   111.917  1976.78   109.549  74.059  2.0618 73.286  2.0394 0.7732086      2.900017  
1 1 1 6  19 2  o 29.517  0.6230 319.431   13.478  324.182   19.424   315.020   18.718   29.729  0.8914 29.307  0.8714 0.4225845      1.246558  
1 1 1 6  19 3  o 78.119  1.5332 2242.21   87.789  2227.40   142.615  2251.25   111.394  77.695  2.5043 78.216  1.9431 -0.5205231     3.169724  
1 1 1 6  19 4  o 30.428  0.6437 339.476   14.357  359.690   24.984   329.510   17.542   31.307  1.0888 29.974  0.7985 1.332850       1.350166  
1 1 1 6  19 5  f 78.456  1.5410 2262.29   88.616  2270.72   145.451  2257.31   111.750  78.413  2.5308 78.303  1.9471 0.1093674      3.193108  
1 1 1 6  19 6  o 94.225  1.8519 3267.71   127.895 3444.25   190.003  3121.46   172.941  96.509  2.6861 91.911  2.5671 4.597832       3.715523  
1 1 1 6  19 7  o 77.514  1.7613 2211.15   100.066 2174.75   170.765  2230.18   123.490  76.558  3.0432 77.764  2.1666 -1.205711      3.735634  
1 1 1 6  19 8  o 53.030  1.2199 1032.85   47.418  1043.46   67.832   1022.70   66.313   53.243  1.7382 52.714  1.7163 0.5294609      2.442724  
1 1 1 6  19 9  o 29.188  0.6305 312.418   13.489  310.272   19.183   314.518   18.971   29.078  0.9001 29.277  0.8840 -0.1989498     1.261605  
1 1 1 6  19 10 o 37.414  0.7735 513.579   21.211  502.459   34.244   520.501   27.017   36.973  1.2636 37.653  0.9789 -0.6800117     1.598452  
1 1 1 6  19 11 o 63.581  1.6026 1489.46   74.683  1470.65   117.290  1502.29   96.856   62.923  2.5431 63.739  2.0732 -0.8163986     3.281115  
1 1 1 6  19 12 f 27.014  0.6449 267.703   12.769  264.027   19.535   270.444   16.872   26.809  0.9942 27.142  0.8481 -0.3326054     1.306767  
1 1 1 6  19 13 o 39.288  0.8134 566.732   23.422  612.055   41.215   545.113   28.465   40.758  1.3796 38.512  1.0084 2.245796       1.708865  
1 1 1 6  19 14 o 70.594  1.4020 1837.49   72.542  1899.69   122.523  1803.92   90.015   71.392  2.3415 69.824  1.7588 1.567787       2.928481  
1 1 1 6  19 15 o 56.410  1.6016 1176.60   66.222  1263.56   140.376  1151.71   75.104   57.523  3.3439 55.732  1.8385 1.791035       3.815967  
1 1 1 6  19 16 o 35.331  0.9632 459.097   24.942  449.713   39.441   465.350   32.198   34.872  1.5431 35.530  1.2364 -0.6586113     1.977311  
1 1 1 6  19 17 o 53.370  1.0792 1048.73   42.218  1040.35   68.641   1053.83   53.544   52.950  1.7686 53.424  1.3674 -0.4747810     2.235572  
1 1 1 6  19 18 o 7.2772  0.6922 19.623    3.6475  20.617    5.8814   19.002    4.6496   7.3986  1.1196 7.1308  0.9104 0.2677908      1.442986  
1 1 1 6  19 19 o 10.230  0.5754 38.533    4.2969  24.722    6.4943   49.287    5.7305   8.1144  1.1219 11.565  0.6790 -3.450333      1.311417  
1 1 1 6  19 20 o 32.815  0.7197 395.683   17.311  399.265   28.650   393.623   21.725   32.889  1.1885 32.705  0.9063 0.1842728      1.494622  
1 1 1 6  19 21 o 20.307  0.6304 151.478   9.3828  135.249   15.586   160.703   11.751   19.109  1.1177 20.905  0.7669 -1.795603      1.355471  
1 1 1 6  19 22 o 21.448  0.5738 168.975   9.0203  183.066   15.550   161.829   11.074   22.279  0.9522 20.975  0.7203 1.303698       1.193976  
1 1 1 6  19 23 o 20.143  0.6721 149.224   9.9224  163.514   14.704   137.275   13.445   21.047  0.9531 19.285  0.9512 1.762304       1.346558  
1 1 1 6  19 24 o 22.600  0.6095 187.758   10.096  177.617   13.738   199.668   14.888   21.949  0.8539 23.269  0.8729 -1.319496      1.221142  
1 1 1 6  20 0  o 18.133  0.7306 121.133   9.6741  154.786   19.390   109.979   11.163   20.414  1.3082 17.250  0.8882 0.000000       0.000000  
1 1 1 6  20 1  o 46.931  0.9382 808.226   32.273  815.017   46.033   801.662   45.260   47.097  1.3335 46.711  1.3220 0.3864288      1.877699  
1 1 1 6  20 2  o 59.270  1.1743 1290.01   51.015  1327.92   74.224   1256.07   70.234   60.070  1.6858 58.428  1.6400 1.641342       2.351919  
1 1 1 6  20 3  o 48.164  0.9623 851.357   33.972  862.495   56.361   845.001   42.575   48.420  1.5881 47.965  1.2110 0.4553680      1.997146  
1 1 1 6  20 4  o 43.579  0.9394 696.963   30.006  720.758   47.509   681.172   38.702   44.272  1.4641 43.061  1.2262 1.211193       1.909737  
1 1 1 6  20 5  o 66.813  1.4122 1641.35   69.155  1634.16   105.679  1646.74   91.456   66.518  2.1676 66.840  1.8668 -0.3222122     2.860651  
1 1 1 6  20 6  o 13.438  0.6848 66.404    6.7224  52.018    9.9379   78.541    9.1276   11.843  1.1597 14.605  0.8564 -2.761533      1.441668  
1 1 1 6  20 7  o 38.496  1.5923 545.803   44.929  576.529   67.883   521.849   59.935   39.379  2.3628 37.496  2.1903 1.882370       3.221864  
1 1 1 6  20 8  o 68.344  1.4452 1719.48   72.397  1700.84   94.919   1745.41   111.944  67.860  1.9083 68.648  2.2248 -0.7878494     2.931134  
1 1 1 6  20 9  o 34.086  0.7124 426.308   17.798  423.895   25.266   428.685   25.076   33.968  1.0148 34.160  1.0015 -0.1924934     1.425814  
1 1 1 6  20 10 o 53.243  1.0668 1042.08   41.630  1081.75   61.099   1007.70   56.876   54.157  1.5392 52.282  1.4842 1.874683       2.138233  
1 1 1 6  20 11 o 25.396  0.5769 236.607   10.738  223.342   17.043   245.339   13.828   24.653  0.9432 25.853  0.7297 -1.199547      1.192524  
1 1 1 6  20 12 o 6.3307  0.6737 14.876    3.0780  9.9017    4.9111   18.093    3.9501   5.0879  1.3093 6.9753  0.7863 -1.887346      1.527272  
1 1 1 6  20 13 o 11.016  0.4902 44.510    3.9578  37.614    6.5624   48.452    4.9617   10.077  0.8979 11.476  0.5919 -1.399069      1.075468  
1 1 1 6  20 14 o 42.509  0.8732 664.285   27.206  668.637   45.041   661.785   34.137   42.534  1.4447 42.391  1.0987 0.1434288      1.815055  
1 1 1 6  20 15 o 23.649  0.6990 205.390   12.117  216.571   26.460   202.423   13.630   24.149  1.5023 23.471  0.7923 0.6781750      1.698465  
1 1 1 6  20 16 o 18.152  0.5462 120.917   7.2678  128.503   11.710   116.165   9.2689   18.695  0.8546 17.784  0.7111 0.9111252      1.111759  
1 1 1 6  20 17 o 36.301  0.8950 484.791   23.814  478.467   41.965   487.794   28.921   35.916  1.5941 36.381  1.0846 -0.4655457     1.928078  
1 1 1 6  20 18 o 17.268  0.5230 109.432   6.6200  115.260   11.162   106.269   8.2222   17.701  0.8603 17.010  0.6595 0.6913948      1.083984  
1 1 1 6  20 19 o 26.725  0.6219 262.315   12.182  273.464   20.718   256.422   15.061   27.234  1.0379 26.407  0.7782 0.8272724      1.297213  
1 1 1 6  20 20 o 17.988  0.5332 118.804   7.0304  122.318   11.864   116.902   8.7278   18.222  0.8883 17.834  0.6677 0.3877888      1.111269  
1 1 1 6  20 21 o 49.084  1.4299 896.888   51.442  880.810   99.313   902.783   60.138   47.468  2.8679 49.105  1.6708 -1.637062      3.319136  
1 1 1 6  20 22 o 18.373  0.5516 124.033   7.4287  131.347   12.626   120.160   9.1872   18.864  0.9132 18.070  0.6937 0.7939262      1.146742  
1 1 1 6  20 23 o 19.502  0.6071 139.836   8.6776  127.257   13.005   149.930   11.650   18.535  0.9606 20.171  0.7880 -1.636358      1.242445  
1 1 1 6  21 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 6  21 1  o 52.676  1.3304 1020.83   51.365  1021.33   57.443   1018.83   114.732  52.663  1.4882 52.127  3.0158 0.5361328      3.362981  
1 1 1 6  21 2  o 41.182  0.8916 622.631   26.911  627.937   41.562   618.800   35.313   41.307  1.3727 41.028  1.1743 0.2786789      1.806480  
1 1 1 6  21 3  o 43.320  0.9348 689.135   29.683  703.125   46.501   679.515   38.560   43.697  1.4519 42.986  1.2239 0.7100677      1.898902  
1 1 1 6  21 4  f 50.142  1.1588 924.371   42.587  944.335   61.647   906.146   58.900   50.594  1.6624 49.569  1.6212 1.025574       2.322005  
1 1 1 6  21 5  o 26.386  0.7373 255.509   14.260  257.531   18.920   252.849   21.698   26.477  0.9749 26.224  1.1288 0.2525826      1.491560  
1 1 1 6  21 6  o 44.248  1.0341 719.612   33.539  713.168   47.408   726.069   47.456   43.984  1.4705 44.382  1.4588 -0.3981018     2.071372  
1 1 1 6  21 7  o 22.280  0.6520 182.141   10.648  185.728   26.964   181.478   11.590   22.362  1.6569 22.236  0.7111 0.1253815      1.803048  
1 1 1 6  21 8  o 15.161  0.4802 84.303    5.3363  88.499    7.7166   80.458    7.3876   15.528  0.6780 14.806  0.6807 0.7223673      0.9607730 
1 1 1 6  21 9  o 29.438  0.6349 318.039   13.699  323.729   19.972   312.984   18.825   29.678  0.9181 29.184  0.8800 0.4931755      1.271785  
1 1 1 6  21 10 o 20.992  0.5110 161.649   7.8627  165.701   11.630   158.237   10.671   21.242  0.7470 20.761  0.7013 0.4813824      1.024557  
1 1 1 6  21 11 o 22.896  0.5395 192.339   9.0533  194.046   15.244   191.409   11.253   22.973  0.9053 22.833  0.6724 0.1398010      1.127700  
1 1 1 6  21 12 o 13.912  0.4667 70.993    4.7585  72.783    8.1298   70.061    5.8689   14.051  0.7926 13.816  0.5795 0.2346687      0.9818981 
1 1 1 6  21 13 o 4.0599  1.0025 6.3088    2.9654  -5.1679   4.6925   13.940    3.8263   2.2957  1.0810 6.0941  0.8823 -3.798365      1.395335  
1 1 1 6  21 14 o 34.517  0.7336 437.761   18.560  430.444   30.151   442.225   23.550   34.153  1.2045 34.666  0.9268 -0.5129623     1.519784  
1 1 1 6  21 15 o 19.612  0.5632 141.184   8.0960  141.938   12.679   140.665   10.520   19.642  0.8807 19.565  0.7336 0.7668304E-01  1.146182  
1 1 1 6  21 16 f 9.9612  0.5408 36.528    3.9335  33.961    6.6141   37.932    4.8927   9.5562  0.9572 10.140  0.6619 -0.5842342     1.163738  
1 1 1 6  21 17 o 3.2779  1.3383 1.4590    5.0868  -5.9235   10.065   3.9913    5.8950   3.7205  1.6909 3.9090  1.4872 -0.1884975     2.251878  
1 1 1 6  21 18 o 46.064  0.9469 782.083   31.970  778.393   52.364   784.275   40.367   45.731  1.5622 46.050  1.1959 -0.3190575     1.967427  
1 1 1 6  21 19 o 23.348  0.5817 200.295   9.9547  196.855   16.500   202.263   12.483   23.093  0.9748 23.446  0.7264 -0.3525047     1.215652  
1 1 1 6  21 20 o 22.115  0.5737 179.746   9.2989  191.416   16.153   173.962   11.373   22.762  0.9682 21.739  0.7137 1.022619       1.202813  
1 1 1 6  21 21 o 5.7510  0.9869 12.569    4.0100  6.3015    5.7956   18.326    5.5542   4.3151  1.4985 6.9433  1.1303 -2.628186      1.876962  
1 1 1 6  21 22 o 12.840  0.5600 60.601    5.2708  70.502    8.9975   55.428    6.5035   13.789  0.8951 12.246  0.7278 1.543089       1.153644  
1 1 1 6  22 0  o 8.5756  0.6391 27.416    3.9657  31.307    7.6000   25.960    4.6487   8.9959  1.2150 8.3044  0.7795 0.000000       0.000000  
1 1 1 6  22 1  o 48.587  0.9729 867.900   34.647  892.049   50.283   846.071   47.807   49.177  1.3950 47.900  1.3617 1.276768       1.949414  
1 1 1 6  22 2  o 12.502  0.4745 57.322    4.3477  60.750    6.6985   54.827    5.7151   12.844  0.7144 12.206  0.6411 0.6380787      0.9598207 
1 1 1 6  22 3  o 27.975  0.6937 287.285   14.225  292.507   20.743   282.650   19.544   28.202  1.0035 27.727  0.9617 0.4752522      1.389907  
1 1 1 6  22 4  o 17.249  0.5793 109.176   7.3238  108.928   9.7149   109.502   11.147   17.222  0.7696 17.239  0.8852 -0.1682281E-01 1.172991  
1 1 1 6  22 5  f 34.362  0.7644 433.662   19.253  430.908   29.607   435.680   25.343   34.200  1.1811 34.414  1.0047 -0.2137375     1.550615  
1 1 1 6  22 6  o 22.244  0.5542 181.556   9.0353  182.653   14.411   180.846   11.598   22.291  0.8820 22.192  0.7130 0.9889412E-01  1.134192  
1 1 1 6  22 7  o 41.286  1.3879 629.541   41.999  620.787   73.414   633.800   51.207   40.586  2.4798 41.349  1.6896 -0.7623711     3.000648  
1 1 1 6  22 8  o 28.392  0.7211 296.089   15.007  300.354   21.954   292.349   20.561   28.560  1.0488 28.184  0.9953 0.3765125      1.445893  
1 1 1 6  22 9  o 18.079  0.5663 119.969   7.5048  109.996   11.221   128.040   10.095   17.270  0.8895 18.668  0.7378 -1.397879      1.155617  
1 1 1 6  22 10 o 49.778  1.1541 913.919   42.108  926.389   73.832   907.907   51.263   49.789  2.0231 49.536  1.4119 0.2532043      2.467087  
1 1 1 6  22 11 o 12.394  0.5249 56.370    4.7683  56.085    9.7318   56.460    5.4699   12.287  1.0920 12.401  0.6018 -0.1142721     1.246859  
1 1 1 6  22 12 f 17.737  0.5761 115.491   7.4899  104.964   14.621   119.237   8.7211   16.820  1.1937 18.017  0.6604 -1.197193      1.364193  
1 1 1 6  22 13 o 34.895  1.0292 448.811   26.322  467.871   53.376   442.686   30.258   35.265  2.0742 34.622  1.1923 0.6423454      2.392452  
1 1 1 6  22 14 o 26.887  0.8360 265.994   16.476  254.437   30.412   270.795   19.601   26.113  1.5966 27.108  0.9865 -0.9946327     1.876803  
1 1 1 6  22 15 o 22.764  0.6893 190.462   11.502  171.982   21.949   197.458   13.505   21.491  1.4010 23.167  0.7953 -1.676451      1.611028  
1 1 1 6  22 16 o 22.294  0.6882 182.727   11.246  161.712   21.046   191.126   13.305   20.829  1.3865 22.789  0.7965 -1.959839      1.598981  
1 1 1 6  22 17 o 28.855  0.8148 306.678   17.232  288.962   34.564   312.537   19.879   27.724  1.7093 29.107  0.9318 -1.382816      1.946740  
1 1 1 6  22 18 o 36.270  1.6003 492.973   42.543  0.0000    0.0000   492.973   42.543   ?       ?      36.270  1.6003 0.000000       1.600273  
1 1 1 6  22 19 o 11.428  0.6078 48.168    5.0729  52.039    9.7557   46.734    5.9390   11.788  1.1435 11.241  0.7247 0.5475264      1.353765  
1 1 1 6  22 20 o 4.2140  1.1796 6.7886    3.7874  7.4515    6.3050   6.4143    4.7372   4.6087  1.5643 4.1971  1.3535 0.4116340      2.068520  
1 1 1 6  23 0  o 25.720  0.7955 243.480   14.964  220.355   27.049   253.677   17.962   24.314  1.5318 26.234  0.9369 0.000000       0.000000  
1 1 1 6  23 1  o 15.785  0.4956 91.419    5.7343  87.886    8.1884   94.819    8.0328   15.467  0.7223 16.068  0.6821 -0.6006155     0.9934306 
1 1 1 6  23 2  o 18.867  0.5880 130.665   8.1315  133.997   10.879   126.447   12.241   19.095  0.7773 18.540  0.9008 0.5545998      1.189783  
1 1 1 6  23 3  o 22.917  0.5573 192.763   9.3608  193.932   14.581   191.944   12.209   22.963  0.8663 22.857  0.7288 0.1060047      1.132098  
1 1 1 6  23 4  o 22.101  0.5088 179.231   8.2417  179.134   13.885   179.283   10.241   22.068  0.8584 22.096  0.6323 -0.2757835E-01 1.066164  
1 1 1 6  23 5  o 34.560  0.7158 438.857   18.133  443.622   30.331   436.206   22.620   34.666  1.1937 34.430  0.8964 0.2367096      1.492785  
1 1 1 6  23 6  o 14.580  0.4370 77.987    4.6706  85.659    8.7894   74.968    5.5134   15.243  0.7894 14.292  0.5263 0.9511261      0.9487467 
1 1 1 6  23 7  o 21.076  0.5770 163.079   8.9141  154.268   24.043   164.483   9.5982   20.312  1.6286 21.164  0.6187 -0.8514767     1.742198  
1 1 1 6  23 8  o 36.096  0.7486 478.940   19.805  476.130   32.797   480.553   24.848   35.893  1.2466 36.125  0.9384 -0.2318344     1.560361  
1 1 1 6  23 9  o 3.8142  0.9642 5.5671    2.6971  8.4326    5.8353   4.7887    3.0414   4.7870  1.4973 3.5855  1.0734 1.201505       1.842320  
1 1 1 6  23 10 o 19.833  0.5933 144.447   8.6246  139.295   12.619   148.963   11.815   19.452  0.8851 20.124  0.8010 -0.6719666     1.193725  
1 1 1 6  23 11 o 25.929  0.6225 246.957   11.831  250.817   16.251   242.604   17.258   26.104  0.8493 25.664  0.9174 0.4402504      1.250231  
1 1 1 6  23 12 o 22.990  0.5452 194.054   9.1861  189.238   13.233   198.532   12.762   22.679  0.7961 23.234  0.7494 -0.5554657     1.093310  
1 1 1 6  23 13 o 32.673  0.6997 392.504   16.757  390.580   27.655   393.621   21.064   32.501  1.1609 32.689  0.8791 -0.1882515     1.456232  
1 1 1 6  23 14 o 20.210  0.6252 150.111   9.2615  156.320   19.730   148.357   10.489   20.483  1.3212 20.083  0.7125 0.4001579      1.501079  
1 1 1 6  23 15 o 27.311  0.6196 274.204   12.402  270.919   20.405   276.128   15.619   27.074  1.0282 27.383  0.7782 -0.3084068     1.289517  
1 1 1 6  23 16 o 13.919  0.5019 71.161    5.1207  74.397    8.8117   69.511    6.2922   14.176  0.8520 13.747  0.6244 0.4280491      1.056371  
1 1 1 6  23 17 o 14.485  0.5141 77.106    5.4587  79.876    9.2071   75.605    6.7784   14.683  0.8592 14.333  0.6452 0.3506651      1.074542  
1 1 1 6  23 18 o 22.235  0.6773 182.108   11.038  175.689   15.479   188.748   15.744   21.782  0.9696 22.581  0.9512 -0.7993965     1.358265  
1 1 1 6  23 19 o 18.347  0.5673 123.809   7.6286  128.424   12.214   120.856   9.7684   18.637  0.8941 18.105  0.7361 0.5315933      1.158149  
1 1 1 6  24 0  o 21.796  0.8290 175.201   13.201  0.0000    0.0000   175.201   13.201   21.796  0.8290 21.796  0.8290 0.000000       0.000000  
1 1 1 6  24 1  o 45.982  1.1723 781.146   39.511  771.878   50.587   795.646   63.272   45.586  1.5140 46.121  1.8717 -0.5343819     2.407380  
1 1 1 6  24 2  o 26.571  0.5769 259.259   11.236  251.707   18.141   263.959   14.312   26.138  0.9469 26.795  0.7287 -0.6574345     1.194856  
1 1 1 6  24 3  o 54.184  1.0814 1083.45   42.948  1080.32   70.190   1085.33   54.300   53.789  1.7803 54.119  1.3689 -0.3294792     2.245770  
1 1 1 6  24 4  o 22.597  0.5145 187.432   8.5221  187.608   14.417   187.338   10.565   22.574  0.8714 22.582  0.6383 -0.7633209E-02 1.080164  
1 1 1 6  24 5  f 27.073  0.5868 269.189   11.644  265.448   19.365   271.307   14.573   26.833  0.9846 27.164  0.7319 -0.3307018     1.226879  
1 1 1 6  24 6  o 22.001  0.5098 177.689   8.2215  200.641   15.425   168.582   9.7166   23.339  0.9017 21.422  0.6188 1.916765       1.093657  
1 1 1 6  24 7  o 14.372  0.4930 75.811    5.1936  60.487    14.968   77.909    5.5377   12.635  1.6561 14.568  0.5186 -1.933255      1.735441  
1 1 1 6  24 8  o 24.767  0.5575 225.259   10.120  224.124   17.312   225.848   12.474   24.655  0.9580 24.786  0.6866 -0.1311665     1.178650  
1 1 1 6  24 9  o 28.464  0.6183 297.687   12.899  285.949   21.262   304.523   16.226   27.830  1.0423 28.768  0.7695 -0.9376717     1.295603  
1 1 1 6  24 10 o 16.917  0.4664 105.042   5.7836  90.019    9.9465   112.716   7.1089   15.607  0.8730 17.519  0.5536 -1.911837      1.033766  
1 1 1 6  24 11 o 13.981  0.4793 71.757    4.9111  80.096    7.5466   65.630    6.4681   14.756  0.6977 13.360  0.6605 1.396293       0.9607880 
1 1 1 6  24 12 f 28.879  0.8193 307.302   17.342  333.462   24.403   280.611   24.650   30.015  1.1092 27.505  1.2227 2.510323       1.650878  
1 1 1 6  24 13 o 11.276  0.4807 46.695    3.9730  52.552    7.2922   44.223    4.7379   11.908  0.8409 10.952  0.5924 0.9560633      1.028636  
1 1 1 6  24 14 o 14.607  0.6177 78.497    6.6132  72.530    11.470   81.469    8.0942   13.934  1.1328 14.869  0.7427 -0.9345789     1.354606  
1 1 1 6  24 15 o 26.860  0.6157 265.509   12.120  256.253   19.698   271.148   15.376   26.291  1.0222 27.111  0.7738 -0.8197308     1.282051  
1 1 1 6  24 16 o 13.585  0.4972 67.836    4.9508  71.427    8.4104   65.932    6.1242   13.879  0.8305 13.382  0.6244 0.4976540      1.039066  
1 1 1 6  24 17 o 8.0642  0.6243 24.089    3.6611  22.630    5.9262   24.989    4.6558   7.7325  1.0747 8.1897  0.7852 -0.4571509     1.330998  
1 1 1 6  25 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 6  25 1  o 7.2504  0.5403 19.413    2.8509  23.229    4.4222   16.699    3.7293   7.9070  0.7729 6.6914  0.7747 1.215603       1.094326  
1 1 1 6  25 2  o 30.141  0.6360 333.919   14.051  336.105   23.345   332.677   17.596   30.161  1.0560 30.059  0.7986 0.1020184      1.323990  
1 1 1 6  25 3  o 11.593  0.4120 49.319    3.5008  54.181    6.4394   47.280    4.1710   12.114  0.7286 11.348  0.5015 0.7659569      0.8845344 
1 1 1 6  25 4  o 28.670  0.6095 302.065   12.809  296.466   21.112   305.327   16.114   28.334  1.0166 28.802  0.7633 -0.4681778     1.271233  
1 1 1 6  25 5  o 19.666  0.4674 141.967   6.7378  137.905   11.646   144.012   8.2607   19.349  0.8212 19.799  0.5692 -0.4497929     0.9991657 
1 1 1 6  25 6  o 15.701  0.5054 90.520    5.8161  93.244    9.1550   88.677    7.5311   15.913  0.7849 15.529  0.6617 0.3839741      1.026582  
1 1 1 6  25 7  o 19.385  0.6641 138.202   9.4361  134.777   21.392   139.029   10.514   18.934  1.5552 19.435  0.7381 -0.5008202     1.721450  
1 1 1 6  25 8  o 6.0834  0.8410 13.897    3.6496  6.1333    5.5797   19.702    4.8247   4.2541  1.4707 7.2478  0.9296 -2.993773      1.739895  
1 1 1 6  25 9  f 10.837  0.4213 43.107    3.3462  47.175    7.3699   42.050    3.7556   11.270  0.8997 10.701  0.4788 0.5692787      1.019166  
1 1 1 6  25 10 o 8.6031  0.4805 27.269    3.0176  32.292    6.9219   26.090    3.3530   9.2838  1.0348 8.4077  0.5471 0.8760099      1.170555  
1 1 1 6  25 11 o 9.1217  0.4770 30.650    3.1779  24.001    7.0640   32.337    3.5583   7.9341  1.2566 9.3656  0.5204 -1.431527      1.360072  
1 1 1 6  25 12 o 9.1809  0.4904 31.063    3.2884  37.372    7.7692   29.686    3.6295   9.9755  1.0798 8.9673  0.5549 1.008231       1.214060  
1 1 1 6  25 13 o 35.685  0.9779 472.185   25.577  440.735   31.659   531.289   43.400   34.345  1.2576 37.502  1.5789 -3.157066      2.018563  
1 1 1 6  25 14 o 3.9082  1.1477 5.7948    3.5039  7.1472    5.8250   5.0279    4.3863   4.4752  1.5036 3.8125  1.3046 0.6626492      1.990710  
1 1 1 6  25 15 o 10.006  0.5285 36.934    3.8622  29.830    6.2832   41.249    4.8965   8.9132  0.9778 10.562  0.6355 -1.648332      1.166164  
1 1 1 6  26 0  o 4.1296  1.2618 7.8080    3.3370  7.8080    3.3370   0.0000    0.0000   4.1296  1.2618 4.1296  1.2618 -0.000000      0.000000  
1 1 1 6  26 1  o 24.638  0.6196 223.268   11.190  226.821   27.270   222.549   12.271   24.570  1.5217 24.590  0.6808 -0.1938629E-01 1.667079  
1 1 1 6  26 2  f 12.175  0.3994 54.405    3.5639  56.221    6.3568   53.572    4.3039   12.337  0.7059 12.077  0.4862 0.2598944      0.8571571 
1 1 1 6  26 3  o 4.8535  1.0308 9.0460    3.5538  13.644    4.3988   0.4035    6.0305   5.9871  1.0401 3.3585  1.4207 2.628660       1.760764  
1 1 1 6  26 4  o 24.938  0.7909 229.311   14.457  228.992   16.962   230.156   27.641   24.892  0.9297 24.734  1.5323 0.1580257      1.792241  
1 1 1 6  26 5  o 19.972  0.7093 146.918   10.384  142.874   12.150   157.876   19.999   19.675  0.8425 20.531  1.3363 -0.8562622     1.579692  
1 1 1 6  26 6  o 9.5901  0.6905 34.049    4.8213  36.210    6.1701   30.659    7.7261   9.8645  0.8620 9.0021  1.2009 0.8623896      1.478246  
1 1 1 6  26 7  o 20.275  0.8566 151.910   12.729  147.635   16.319   158.554   20.343   19.898  1.1235 20.544  1.3587 -0.6450710     1.763027  
1 1 1 6  26 8  o 11.932  0.8571 52.900    7.4460  52.900    7.4460   0.0000    0.0000   11.932  0.8571 ?       ?      0.000000       0.8571141 
1 1 1 6  26 9  o 12.133  0.6983 54.459    6.1838  47.545    7.3869   70.653    11.305   11.297  0.8996 13.728  1.1337 -2.430971      1.447201  
1 1 1 6  26 10 o 11.624  0.7326 50.073    6.2099  47.254    7.7771   55.031    10.315   11.248  0.9523 12.087  1.1793 -0.8391695     1.515809  
1 1 1 6  26 11 o 11.017  0.7544 45.043    6.0549  50.011    8.0738   38.658    9.1532   11.568  0.9609 10.083  1.2664 1.484777       1.589712  
1 1 1 6  26 12 o 3.9678  1.1319 6.0258    3.4535  9.9455    6.6168   4.5582    4.0488   5.1156  1.5935 3.6411  1.2532 1.474518       2.027232  
1 1 1 6  26 13 o 9.4236  0.4785 32.737    3.2943  41.802    8.0898   30.935    3.6068   10.543  1.0613 9.1523  0.5401 1.390536       1.190826  
1 1 1 6  27 0  o 28.330  0.8554 296.388   17.726  296.388   17.726   0.0000    0.0000   28.330  0.8554 28.330  0.8554 -0.000000      0.000000  
1 1 1 6  27 1  f 13.538  0.4173 67.329    4.1407  72.319    5.9967   62.782    5.7244   14.015  0.5838 13.057  0.5981 0.9582777      0.8357823 
1 1 1 6  27 2  o 19.298  1.2604 140.002   17.731  140.002   17.731   0.0000    0.0000   19.298  1.2604 ?       ?      0.000000       1.260435  
1 1 1 6  27 3  o 9.0936  0.8188 30.829    5.3988  39.235    8.1043   24.122    7.2389   10.205  1.1009 7.9266  1.2903 2.278262       1.696192  
1 1 1 6  27 4  o 8.0616  0.7041 24.164    4.1189  24.160    5.1377   24.172    6.8910   8.0270  0.8881 7.9514  1.2214 0.7565403E-01  1.510191  
1 1 1 6  27 5  o 13.236  0.6217 64.564    6.0313  65.710    7.5056   62.476    10.133   13.310  0.7727 12.904  1.0813 0.4066305      1.329019  
1 1 1 6  27 6  o 23.050  0.7700 196.440   13.008  202.468   15.736   183.432   23.117   23.357  0.9192 21.988  1.4423 1.368349       1.710336  
1 1 1 6  27 7  o 17.206  0.6940 109.300   8.7519  105.006   10.352   120.062   16.387   16.836  0.8389 17.840  1.2613 -1.004816      1.514813  
1 1 1 6  27 8  o 24.957  1.2140 233.653   22.207  233.653   22.207   0.0000    0.0000   24.957  1.2140 ?       ?      0.000000       1.214015  
1 1 1 6  27 9  o 8.0419  0.9043 24.307    5.2376  23.280    7.0960   25.537    7.7631   7.7697  1.2914 8.1286  1.3504 -0.3588309     1.868450  
1 1 1 6  27 10 o 14.460  0.6957 77.228    7.3737  74.929    8.9880   81.960    12.896   14.187  0.8685 14.737  1.2044 -0.5502539     1.484877  
1 1 1 6  28 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 6  28 1  o 13.699  0.5699 69.174    5.7217  69.174    5.7217   0.0000    0.0000   13.699  0.5699 ?       ?      0.000000       0.5698604 
1 1 1 6  28 2  o 6.3921  0.7066 15.288    3.2551  13.892    3.8248   18.956    6.1991   6.0522  0.8887 6.9952  1.2552 -0.9430242     1.537928  
1 1 1 6  28 3  o 10.648  0.7366 42.154    5.7137  42.154    5.7137   0.0000    0.0000   10.648  0.7366 ?       ?      0.000000       0.7366238 
1 1 1 6  28 4  o 18.667  0.6667 128.727   9.1214  129.802   10.840   126.118   16.883   18.714  0.7902 18.246  1.2703 0.4685478      1.496060  
1 1 1 6  28 5  o 18.015  0.6652 119.891   8.7842  119.897   10.518   119.876   15.973   17.985  0.7979 17.805  1.2315 0.1793423      1.467335  
1 1 1 6  28 6  o 15.413  0.6516 87.719    7.3610  86.525    8.9182   90.273    13.039   15.258  0.8002 15.469  1.1583 -0.2116699     1.407884  
1 1 1 7  0  1  o 226.071 6.2746 18795.92  1037.90 18007.35  1414.20  19716.53  1528.03  220.888 8.7663 231.129 9.0513 0.000000       0.000000  
1 1 1 7  0  2  f 19.048  0.7318 133.555   10.182  162.131   20.347   124.007   11.761   20.905  1.3406 18.332  0.8799 0.000000       0.000000  
1 1 1 7  0  3  o 164.846 4.5559 9988.13   549.524 10229.43  794.924  9767.27   760.508  166.576 6.5336 162.773 6.3969 0.000000       0.000000  
1 1 1 7  0  4  o 172.991 4.8126 11000.98  609.155 10020.21  779.601  12538.45  976.098  164.862 6.4743 184.386 7.2479 0.000000       0.000000  
1 1 1 7  0  5  f 180.178 5.7601 11947.15  758.940 13425.86  1469.35  11409.10  886.324  190.163 10.618 175.897 6.8988 0.000000       0.000000  
1 1 1 7  0  6  o 219.539 6.0563 17726.76  972.863 17760.11  1125.71  17628.36  1933.70  219.613 7.0096 217.734 12.204 -0.000000      0.000000  
1 1 1 7  0  7  o 228.166 6.2889 19151.36  1049.92 19291.62  2114.92  19105.49  1209.48  227.663 12.766 227.747 7.2622 0.000000       0.000000  
1 1 1 7  0  8  o 21.927  0.8546 177.010   13.688  193.978   24.475   169.286   16.512   22.864  1.4745 21.414  1.0579 0.000000       0.000000  
1 1 1 7  0  9  o 347.167 9.6097 44483.01  2441.05 45124.39  4943.23  44276.16  2807.21  345.845 19.646 345.951 11.097 0.000000       0.000000  
1 1 1 7  0  10 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 7  0  11 o 224.611 6.2528 18588.64  1027.60 17302.09  1347.86  20374.41  1587.97  216.163 8.5373 234.451 9.2738 -0.000000      0.000000  
1 1 1 7  0  12 o 26.777  0.8718 263.626   17.069  305.624   26.356   233.287   22.401   28.794  1.2542 25.140  1.2223 0.000000       0.000000  
1 1 1 7  0  13 o 31.580  0.9710 366.568   22.427  345.172   30.461   391.894   33.141   30.595  1.3645 32.608  1.3924 -0.000000      0.000000  
1 1 1 7  0  14 o 29.455  0.9195 318.935   19.808  304.889   27.339   334.457   28.740   28.752  1.3034 30.121  1.3074 -0.000000      0.000000  
1 1 1 7  0  15 o 34.972  1.0631 449.542   27.193  462.604   40.214   438.536   36.912   35.420  1.5558 34.493  1.4660 -0.000000      0.000000  
1 1 1 7  0  16 o 68.050  1.9206 1702.20   95.625  1712.86   136.546  1691.95   133.960  68.157  2.7434 67.743  2.7077 -0.000000      0.000000  
1 1 1 7  0  17 o 163.457 4.5271 9849.49   541.436 10050.00  781.123  9664.07   751.167  164.610 6.4971 161.441 6.3706 -0.000000      0.000000  
1 1 1 7  0  18 o 28.171  0.9306 291.844   19.169  299.725   28.147   285.027   26.177   28.497  1.3546 27.794  1.2913 -0.000000      0.000000  
1 1 1 7  0  19 o 49.161  2.0203 890.929   72.518  828.243   95.912   974.592   110.803  47.256  2.7914 51.265  2.9717 -0.000000      0.000000  
1 1 1 7  0  20 f 38.975  1.1749 558.396   33.496  621.637   52.575   515.189   43.457   41.059  1.7543 37.381  1.5926 -0.000000      0.000000  
1 1 1 7  0  21 o 59.298  1.7169 1292.98   74.479  1190.31   97.628   1435.94   115.199  56.800  2.3542 62.385  2.5288 -0.000000      0.000000  
1 1 1 7  0  22 o 50.525  1.4752 938.648   54.527  857.246   70.085   1063.48   86.792   48.207  1.9912 53.686  2.2142 0.000000       0.000000  
1 1 1 7  0  23 o 9.4283  0.9727 33.620    6.5581  21.559    8.1967   55.074    10.932   7.0509  1.8354 12.058  1.2691 0.000000       0.000000  
1 1 1 7  0  24 o 79.796  2.2438 2346.54   130.999 2308.43   182.758  2386.82   187.869  78.924  3.1709 80.249  3.2056 -0.000000      0.000000  
1 1 1 7  0  25 o 30.459  1.3897 342.653   30.878  350.703   43.244   334.279   44.105   30.706  1.9392 29.947  2.0308 0.000000       0.000000  
1 1 1 7  0  26 o 69.676  2.3197 1794.60   118.167 1672.03   134.925  2198.17   244.816  67.126  2.7529 76.345  4.4087 -0.000000      0.000000  
1 1 1 7  0  27 o 97.557  2.7765 3525.56   198.172 3184.79   252.447  4072.76   319.895  92.299  3.7456 104.178 4.2049 -0.000000      0.000000  
1 1 1 7  0  28 o 22.591  0.8605 188.012   14.201  181.391   19.245   195.927   21.042   22.133  1.1943 22.998  1.2569 0.000000       0.000000  
1 1 1 7  0  29 o 20.200  0.8557 150.486   12.617  171.904   18.676   132.502   17.113   21.539  1.1913 18.872  1.2498 0.000000       0.000000  
1 1 1 7  0  30 o 33.924  1.0805 423.910   26.805  406.876   36.166   444.673   39.929   33.155  1.4952 34.650  1.5797 0.000000       0.000000  
1 1 1 7  0  31 o 17.145  0.8831 108.753   11.030  116.171   16.748   103.071   14.657   17.628  1.3130 16.612  1.2188 -0.000000      0.000000  
1 1 1 7  1  0  o 675.479 18.890 169438.41 9335.82 182674.59 14135.37 159197.50 12433.47 696.193 27.802 650.755 26.163 0.000000       0.000000  
1 1 1 7  1  1  o 261.725 5.1164 25144.47  981.493 23985.95  1321.41  26570.19  1465.89  255.438 7.0578 268.801 7.4403 -13.36259      10.25529  
1 1 1 7  1  2  o 395.952 7.7448 57671.47  2247.68 57320.04  3155.69  58033.35  3202.23  394.016 10.927 396.435 11.020 -2.418823      15.51932  
1 1 1 7  1  3  o 142.352 3.2303 7431.37   337.050 7465.38   474.470  7396.73   478.883  142.632 4.5385 141.972 4.6020 0.6599579      6.463456  
1 1 1 7  1  4  o 134.622 2.6426 6644.79   260.752 6880.52   378.579  6432.02   359.664  136.957 3.7713 132.420 3.7056 4.536804       5.287214  
1 1 1 7  1  5  o 319.905 6.7223 37620.60  1576.24 37095.11  2064.97  38354.24  2439.93  317.302 8.8789 322.339 10.327 -5.037323      13.61935  
1 1 1 7  1  6  o 250.919 4.8842 23113.48  898.270 22953.99  1260.93  23277.83  1279.98  249.840 6.8857 251.590 6.9411 -1.749268      9.777091  
1 1 1 7  1  7  o 202.307 3.9655 15017.78  588.021 16549.38  914.749  13939.20  767.635  212.216 5.8809 194.806 5.3761 17.40999       7.967912  
1 1 1 7  1  8  o 119.763 2.3485 5259.07   206.153 5051.81   278.711  5509.44   306.331  117.354 3.2402 122.548 3.4104 -5.194038      4.704234  
1 1 1 7  1  9  o 317.370 7.1973 37115.70  1674.22 42985.56  3349.27  35160.37  1933.06  339.237 13.470 308.551 8.5475 30.68506       15.95305  
1 1 1 7  1  10 o 110.784 3.5359 4505.20   287.121 4447.67   490.309  4535.22   354.204  109.728 6.1208 111.106 4.3495 -1.378410      7.508766  
1 1 1 7  1  11 o 89.652  1.7639 2947.07   115.910 2821.70   156.772  3098.22   172.146  87.705  2.4387 91.897  2.5557 -4.192680      3.532585  
1 1 1 7  1  12 o 73.982  1.4659 2006.71   79.490  2141.50   119.037  1898.24   106.789  76.408  2.1255 71.940  2.0252 4.467499       2.935887  
1 1 1 7  1  13 o 201.794 3.9760 14981.88  588.079 16190.21  900.648  14083.84  776.444  209.292 5.8711 195.325 5.4234 13.96736       7.992716  
1 1 1 7  1  14 o 77.969  1.5356 2229.39   87.759  2199.62   122.644  2260.62   125.631  77.421  2.1612 78.487  2.1838 -1.065163      3.072479  
1 1 1 7  1  15 o 112.592 2.2104 4653.15   182.411 4686.99   258.992  4619.85   256.957  112.912 3.1294 112.100 3.1273 0.8113174      4.424204  
1 1 1 7  1  16 o 104.051 2.0592 3973.44   157.049 4111.31   230.210  3853.42   214.792  105.759 2.9698 102.399 2.8618 3.359680       4.124283  
1 1 1 7  1  17 o 60.501  1.2067 1342.17   53.511  1299.33   73.358   1390.88   78.228   59.514  1.6817 61.573  1.7334 -2.059097      2.415108  
1 1 1 7  1  18 o 90.850  2.0802 3029.75   138.518 2986.40   192.904  3075.89   199.027  90.127  2.9201 91.463  2.9688 -1.335526      4.164284  
1 1 1 7  1  19 o 101.266 3.2790 3775.20   243.381 4496.60   495.590  3545.92   279.393  109.721 6.1877 98.053  3.8875 11.66819       7.307533  
1 1 1 7  1  20 o 20.398  0.5633 152.507   8.4220  147.036   11.709   158.372   12.122   20.027  0.7977 20.785  0.7957 -0.7576942     1.126712  
1 1 1 7  1  21 o 48.098  0.9922 848.303   34.981  799.239   46.497   912.289   53.098   46.674  1.3591 49.862  1.4529 -3.188011      1.989482  
1 1 1 7  1  22 o 64.159  1.2875 1510.39   60.547  1568.49   88.858   1460.04   82.723   65.339  1.8554 63.045  1.7902 2.294067       2.578239  
1 1 1 7  1  23 o 102.730 2.0367 3883.09   153.360 3684.17   206.947  4125.40   228.404  99.880  2.8268 105.656 2.9494 -5.776276      4.085300  
1 1 1 7  1  24 o 50.697  1.0407 943.253   38.670  885.990   51.587   1016.70   58.424   49.104  1.4333 52.593  1.5156 -3.489265      2.086022  
1 1 1 7  1  25 o 44.303  1.1813 720.959   38.360  750.170   50.747   682.014   58.595   45.156  1.5333 43.016  1.8584 2.139191       2.409285  
1 1 1 7  1  26 o 18.004  0.5806 118.867   7.6620  133.681   11.489   107.000   10.283   19.086  0.8213 17.075  0.8216 2.010553       1.161670  
1 1 1 7  1  27 o 55.601  1.1457 1136.23   46.690  1089.94   63.366   1191.23   69.062   54.385  1.5896 56.842  1.6576 -2.457325      2.296662  
1 1 1 7  1  28 o 91.667  2.1268 3113.16   142.897 3000.64   195.695  3241.69   209.148  89.528  2.9822 92.997  3.0683 -3.469215      4.278821  
1 1 1 7  1  29 o 10.017  0.7153 37.013    5.2176  44.280    7.6521   30.698    7.1329   10.936  0.9645 9.0721  1.0948 1.863678       1.459117  
1 1 1 7  1  30 o 47.334  0.9964 824.003   34.569  818.799   48.376   829.433   49.415   47.103  1.4012 47.403  1.4222 -0.2999191     1.996518  
1 1 1 7  1  31 o 25.945  0.7810 247.322   14.852  249.886   21.267   244.881   20.751   26.044  1.1141 25.784  1.0980 0.2602234      1.564229  
1 1 1 7  2  0  o 314.131 8.7444 36334.28  2009.84 37039.70  2879.69  35664.30  2806.41  316.416 12.461 310.478 12.377 0.000000       0.000000  
1 1 1 7  2  1  o 156.836 3.0801 9019.94   354.071 8558.81   475.166  9595.63   530.925  152.734 4.2445 161.710 4.4794 -8.976303      6.170952  
1 1 1 7  2  2  o 227.310 4.4509 18959.89  741.562 20955.78  1149.28  17536.18  970.660  238.798 6.5662 218.492 6.0611 20.30663       8.935970  
1 1 1 7  2  3  o 444.237 8.7339 72682.16  2843.83 72282.78  3980.52  73098.55  4064.36  441.948 12.288 444.368 12.479 -2.419464      17.51334  
1 1 1 7  2  4  o 330.644 6.9337 40194.49  1680.39 39385.47  2498.52  40862.67  2270.64  326.638 10.436 332.954 9.3043 -6.316040      13.98142  
1 1 1 7  2  5  o 226.837 4.4074 18882.65  732.784 18881.42  926.919  18884.70  1196.60  226.737 5.5775 226.593 7.2048 0.1437836      9.111403  
1 1 1 7  2  6  f 263.846 5.1737 25563.14  1000.55 26154.62  1447.95  25022.62  1384.18  266.604 7.4098 260.795 7.2412 5.809509       10.36052  
1 1 1 7  2  7  f 44.609  0.9008 729.342   29.455  781.328   44.203   687.823   39.503   46.170  1.3062 43.320  1.2441 2.850414       1.803879  
1 1 1 7  2  8  o 148.296 2.9199 8065.85   317.378 8455.77   470.742  7740.90   429.737  151.772 4.2316 145.226 4.0372 6.546509       5.848553  
1 1 1 7  2  9  o 126.677 2.8708 5886.33   266.551 6208.53   482.494  5744.81   319.777  129.973 5.0648 125.118 3.4870 4.854752       6.149037  
1 1 1 7  2  10 o 201.897 5.5625 15001.69  823.147 14836.99  1151.02  15174.10  1177.65  200.371 7.8373 202.614 7.9298 -2.243576      11.14925  
1 1 1 7  2  11 o 261.178 5.9139 25145.94  1132.13 24263.40  1542.02  26177.93  1667.47  255.858 8.2226 265.635 8.5643 -9.776306      11.87260  
1 1 1 7  2  12 o 176.564 3.4652 11453.73  448.443 12270.10  678.167  10819.40  597.798  182.486 5.0702 171.414 4.7580 11.07201       6.953115  
1 1 1 7  2  13 o 101.039 1.9851 3745.14   147.012 3787.33   210.412  3704.90   205.489  101.554 2.8268 100.446 2.7911 1.108635       3.972522  
1 1 1 7  2  14 o 48.767  0.9885 871.832   35.334  861.800   49.697   882.087   50.247   48.479  1.3986 49.046  1.3977 -0.5672874     1.977296  
1 1 1 7  2  15 o 40.952  0.8473 614.765   25.434  629.937   36.640   600.656   35.332   41.450  1.2060 40.475  1.1910 0.9745445      1.694972  
1 1 1 7  2  16 o 38.253  0.8003 536.386   22.439  542.013   32.072   530.990   31.407   38.449  1.1380 38.056  1.1260 0.3927803      1.600913  
1 1 1 7  2  17 o 45.745  0.9364 767.128   31.396  768.771   44.532   765.504   44.269   45.786  1.3270 45.689  1.3219 0.9726715E-01  1.873048  
1 1 1 7  2  18 o 73.551  1.7018 1984.72   91.744  1987.41   128.564  1981.93   130.961  73.561  2.3845 73.457  2.4324 0.1047974      3.406177  
1 1 1 7  2  19 o 57.172  1.6283 1199.26   68.235  1188.17   95.955   1210.62   97.053   56.875  2.3018 57.410  2.3064 -0.5345879     3.258507  
1 1 1 7  2  20 o 40.363  0.8496 597.256   25.134  547.399   32.821   667.954   39.084   38.635  1.1590 42.676  1.2495 -4.040607      1.704248  
1 1 1 7  2  21 o 83.146  1.6459 2537.71   100.304 2558.74   143.027  2517.36   140.704  83.421  2.3392 82.746  2.3200 0.6751404      3.294541  
1 1 1 7  2  22 o 36.522  0.7842 489.051   20.994  511.917   30.808   469.230   28.684   37.357  1.1252 35.766  1.0942 1.590496       1.569462  
1 1 1 7  2  23 o 48.760  1.0055 872.190   35.937  840.771   49.391   907.534   52.385   47.850  1.4083 49.712  1.4377 -1.861458      2.012516  
1 1 1 7  2  24 o 78.485  1.5587 2264.80   89.666  2258.24   126.743  2271.38   126.870  78.244  2.2100 78.473  2.2058 -0.2283401     3.122419  
1 1 1 7  2  25 o 40.659  1.2312 607.389   36.692  556.652   47.357   683.593   58.037   38.884  1.6616 43.068  1.8385 -4.183933      2.478152  
1 1 1 7  2  26 o 23.700  0.8004 206.113   13.905  203.194   17.914   210.537   22.054   23.521  1.0391 23.897  1.2636 -0.3756542     1.635960  
1 1 1 7  2  27 o 25.424  0.6460 237.104   12.039  242.199   17.202   232.214   16.853   25.684  0.9138 25.149  0.9143 0.5350590      1.292648  
1 1 1 7  2  28 o 18.501  0.8436 125.658   11.439  115.754   15.676   136.939   16.730   17.699  1.2158 19.260  1.1909 -1.561476      1.701873  
1 1 1 7  2  29 o 61.306  1.2436 1383.45   55.881  1427.87   81.295   1343.65   76.941   62.139  1.7849 60.292  1.7411 1.847321       2.493443  
1 1 1 7  2  30 o 14.466  0.6698 76.816    7.1015  72.369    9.9648   81.406    10.123   13.994  0.9776 14.851  0.9347 -0.8569622     1.352586  
1 1 1 7  2  31 o 19.577  0.8467 140.883   12.149  146.199   18.207   136.616   16.312   19.867  1.2568 19.217  1.1635 0.6499538      1.712713  
1 1 1 7  3  0  o 112.458 3.1472 4647.16   258.955 4966.47   393.492  4403.23   343.926  116.094 4.6411 109.326 4.3072 0.000000       0.000000  
1 1 1 7  3  1  f 206.699 4.0294 15674.29  610.463 15944.38  876.159  15419.46  851.037  208.359 5.7371 204.906 5.6665 3.453125       8.063674  
1 1 1 7  3  2  o 184.171 3.5862 12441.20  484.102 12691.62  697.736  12208.76  672.223  185.934 5.1198 182.368 5.0290 3.565689       7.176589  
1 1 1 7  3  3  o 460.723 9.0802 78222.99  3066.33 79365.34  4446.40  77187.05  4234.26  462.691 13.111 456.476 12.655 6.215485       18.22249  
1 1 1 7  3  4  o 130.372 2.5503 6231.78   243.696 5957.95   329.103  6564.20   362.604  127.449 3.5230 133.770 3.6982 -6.321373      5.107683  
1 1 1 7  3  5  o 143.843 3.0330 7587.81   319.774 8303.46   462.887  6934.47   442.275  150.427 4.1982 137.460 4.3897 12.96680       6.074108  
1 1 1 7  3  6  o 255.773 5.0107 24021.95  939.367 22483.06  1238.99  26102.44  1440.62  247.237 6.8372 266.315 7.3803 -19.07828      10.06058  
1 1 1 7  3  7  o 112.271 2.1919 4621.34   180.371 4545.60   250.784  4702.49   259.612  111.326 3.0734 113.229 3.1282 -1.903214      4.385357  
1 1 1 7  3  8  o 85.294  1.6871 2666.94   105.470 2868.05   159.655  2511.21   140.491  88.438  2.4630 82.756  2.3162 5.681480       3.380972  
1 1 1 7  3  9  o 54.264  1.2507 1079.33   49.744  1233.39   97.729   1025.45   57.790   57.995  2.2991 52.890  1.4907 5.104465       2.740077  
1 1 1 7  3  10 o 186.271 5.1605 12765.48  704.562 14156.81  1099.64  11796.53  917.669  195.699 7.6662 178.768 7.0035 16.93044       10.38363  
1 1 1 7  3  11 o 169.231 3.8102 10523.24  472.621 10702.00  679.400  10355.61  657.892  170.431 5.4387 167.664 5.3535 2.767014       7.631450  
1 1 1 7  3  12 o 115.582 2.2657 4901.52   191.946 4908.07   272.289  4895.05   270.624  115.592 3.2138 115.440 3.1984 0.1522141      4.534119  
1 1 1 7  3  13 f 26.987  0.6065 266.932   11.996  257.397   16.465   277.721   17.514   26.499  0.8477 27.526  0.8681 -1.026199      1.213362  
1 1 1 7  3  14 o 69.629  1.3807 1777.78   70.465  1843.48   102.915  1719.79   96.681   70.882  1.9809 68.465  1.9266 2.417038       2.763286  
1 1 1 7  3  15 o 47.487  0.9679 826.679   33.689  840.263   48.333   813.844   46.982   47.868  1.3776 47.110  1.3606 0.7581520      1.936231  
1 1 1 7  3  16 o 70.577  1.3983 1826.75   72.336  1837.03   102.964  1816.73   101.647  70.751  1.9855 70.360  1.9710 0.3913193      2.797701  
1 1 1 7  3  17 o 176.249 3.4551 11433.64  446.340 10572.97  582.460  12658.02  694.713  169.175 4.6973 184.966 5.1243 -15.79112      6.951469  
1 1 1 7  3  18 o 89.884  2.5096 2968.11   165.334 2954.27   231.390  2982.55   236.324  89.568  3.5246 89.988  3.5830 -0.4204178     5.025985  
1 1 1 7  3  19 f 62.871  1.4708 1449.98   67.775  1656.52   107.802  1314.99   87.155   67.161  2.1899 59.850  1.9868 7.311626       2.956849  
1 1 1 7  3  20 o 132.200 2.6048 6426.77   252.399 6641.55   367.279  6234.57   347.439  134.151 3.7353 129.997 3.6464 4.154022       5.219998  
1 1 1 7  3  21 o 61.282  1.2399 1377.67   55.692  1343.68   77.500   1413.96   80.084   60.493  1.7479 62.054  1.7607 -1.560837      2.480998  
1 1 1 7  3  22 o 50.200  1.0333 924.310   38.020  901.460   52.180   950.169   55.510   49.556  1.4366 50.874  1.4886 -1.318207      2.068765  
1 1 1 7  3  23 o 28.051  0.6602 288.496   13.575  268.115   18.161   314.298   20.434   27.036  0.9165 29.271  0.9524 -2.235041      1.321763  
1 1 1 7  3  24 o 65.210  1.8548 1565.91   88.653  1461.09   117.442  1704.75   135.167  62.856  2.5492 67.853  2.7178 -4.997269      3.726235  
1 1 1 7  3  25 o 26.552  0.8167 258.663   15.894  249.732   23.822   265.828   21.338   26.070  1.2467 26.906  1.0820 -0.8358288     1.650777  
1 1 1 7  3  26 o 29.083  0.7888 310.366   16.814  311.254   24.100   309.524   23.471   29.104  1.1297 29.025  1.1032 0.7919502E-01  1.579063  
1 1 1 7  3  27 o 38.626  0.9597 547.915   27.171  551.531   33.438   540.889   46.614   38.733  1.1778 38.298  1.6606 0.4347000      2.035885  
1 1 1 7  3  28 o 35.491  0.7800 462.318   20.290  470.490   29.003   454.484   28.395   35.776  1.1060 35.162  1.1017 0.6134109      1.561136  
1 1 1 7  3  29 o 42.870  0.9121 675.180   28.661  652.198   39.255   701.417   41.943   42.086  1.2726 43.639  1.3113 -1.552784      1.827277  
1 1 1 7  3  30 o 38.394  1.1735 542.987   33.024  556.294   47.219   530.245   46.204   38.762  1.6620 37.843  1.6658 0.9192657      2.353104  
1 1 1 7  3  31 o 37.733  1.0520 524.323   29.095  558.958   48.682   505.078   36.290   38.805  1.7116 36.979  1.3389 1.826401       2.173073  
1 1 1 7  4  0  o 153.151 4.2348 8620.83   474.549 9270.51   718.599  8118.39   631.947  158.581 6.2039 148.409 5.8300 -0.000000      0.000000  
1 1 1 7  4  1  o 95.779  1.8814 3362.74   132.078 3219.44   179.526  3531.82   195.007  93.705  2.6139 98.144  2.7108 -4.439011      3.765755  
1 1 1 7  4  2  o 146.157 2.8752 7833.25   308.009 7390.72   413.475  8384.98   461.682  141.932 3.9746 151.169 4.1668 -9.237579      5.758379  
1 1 1 7  4  3  o 111.100 2.1890 4525.06   178.252 4747.02   266.019  4344.20   240.135  113.770 3.1901 108.840 3.0101 4.929924       4.386068  
1 1 1 7  4  4  o 205.246 4.0153 15456.71  604.054 15645.35  775.388  15165.48  963.431  206.417 5.1250 203.110 6.4715 3.307068       8.255072  
1 1 1 7  4  5  o 23.962  0.6178 210.434   10.850  229.621   16.651   196.274   14.304   25.030  0.9076 23.142  0.8433 1.888678       1.238910  
1 1 1 7  4  6  o 88.319  1.7454 2859.35   112.986 2836.70   159.989  2881.88   159.585  87.957  2.4817 88.655  2.4559 -0.6980896     3.491421  
1 1 1 7  4  7  o 113.953 2.2438 4761.14   187.410 4869.29   272.095  4663.52   258.503  115.211 3.2222 112.754 3.1279 2.457520       4.490669  
1 1 1 7  4  8  o 77.643  1.5315 2209.86   87.156  2116.41   117.869  2322.59   129.459  75.974  2.1167 79.587  2.2193 -3.612709      3.066828  
1 1 1 7  4  9  o 197.624 5.4466 14370.11  788.945 15400.00  1686.22  14081.47  892.682  202.925 11.383 195.509 6.2294 7.415863       12.97603  
1 1 1 7  4  10 o 57.883  1.3394 1228.21   56.826  1323.18   85.912   1154.35   75.769   60.069  1.9513 56.108  1.8424 3.961170       2.683666  
1 1 1 7  4  11 o 121.752 2.7630 5440.86   246.568 5617.37   361.908  5287.96   336.839  123.608 3.9946 119.945 3.8314 3.663658       5.535011  
1 1 1 7  4  12 o 65.750  1.3022 1584.97   62.757  1559.83   87.481   1611.63   90.081   65.213  1.8302 66.286  1.8541 -1.073135      2.605223  
1 1 1 7  4  13 o 44.081  0.9006 712.294   29.097  699.411   40.228   726.429   42.138   43.676  1.2566 44.511  1.2916 -0.8350410     1.802029  
1 1 1 7  4  14 o 144.206 2.8142 7640.36   297.456 7710.68   424.776  7572.70   416.673  144.681 4.0056 143.388 3.9646 1.292923       5.635878  
1 1 1 7  4  15 o 69.245  1.3693 1758.37   69.498  1750.01   97.879   1766.88   98.696   69.058  1.9337 69.390  1.9405 -0.3317108     2.739506  
1 1 1 7  4  16 o 67.714  1.3422 1681.48   66.615  1738.24   97.181   1631.18   91.491   68.824  1.9265 66.674  1.8722 2.150726       2.686300  
1 1 1 7  4  17 o 117.428 2.2987 5063.44   197.852 5008.10   276.678  5121.35   283.042  116.672 3.2354 117.978 3.2732 -1.306427      4.602324  
1 1 1 7  4  18 o 90.474  2.0839 3005.17   138.189 3217.02   208.131  2838.15   184.801  93.517  3.0365 87.855  2.8698 5.661644       4.178045  
1 1 1 7  4  19 o 97.574  2.4275 3498.47   173.611 3455.99   221.605  3565.98   279.347  96.896  3.1203 98.309  3.8768 -1.412819      4.976480  
1 1 1 7  4  20 o 156.024 4.3459 9010.86   496.991 9156.11   714.614  8874.79   691.652  156.458 6.2315 154.089 6.1240 2.369080       8.737007  
1 1 1 7  4  21 o 55.499  1.1291 1129.76   45.929  1180.79   67.630   1086.08   62.572   56.712  1.6270 54.393  1.5695 2.318634       2.260594  
1 1 1 7  4  22 o 90.638  1.7889 3018.74   118.846 3059.98   170.271  2979.57   165.960  91.130  2.5492 89.931  2.5178 1.199295       3.582924  
1 1 1 7  4  23 o 40.242  0.8506 593.974   25.089  613.480   36.453   576.419   34.583   40.880  1.2166 39.628  1.1906 1.252678       1.702271  
1 1 1 7  4  24 o 59.948  1.2114 1319.92   53.229  1344.26   76.456   1297.03   74.151   60.430  1.7261 59.362  1.7042 1.067886       2.425692  
1 1 1 7  4  25 o 44.477  0.9355 726.119   30.497  682.424   40.714   781.975   46.032   43.087  1.2892 46.115  1.3619 -3.027805      1.875267  
1 1 1 7  4  26 o 37.936  1.1631 528.934   32.341  561.016   48.418   503.088   43.458   39.008  1.6935 36.950  1.6046 2.057331       2.332947  
1 1 1 7  4  27 o 16.015  0.5695 94.070    6.6853  87.334    9.1325   101.848   9.8131   15.404  0.8117 16.658  0.8037 -1.254130      1.142307  
1 1 1 7  4  28 o 33.235  0.7432 405.363   18.104  412.828   25.971   398.306   25.250   33.515  1.0572 32.921  1.0464 0.5938148      1.487520  
1 1 1 7  4  29 o 40.026  0.8640 588.470   25.348  548.887   33.622   640.599   38.585   38.618  1.1878 41.708  1.2622 -3.090214      1.733206  
1 1 1 7  4  30 o 29.164  0.9820 312.886   20.991  371.819   33.090   273.200   27.154   31.727  1.4229 27.170  1.3679 4.556515       1.973777  
1 1 1 7  4  31 o 52.578  1.2702 1020.55   48.953  1106.55   73.858   953.174   65.375   54.528  1.8480 50.643  1.7612 3.884407       2.552808  
1 1 1 7  5  0  o 12.640  0.5695 58.910    5.2520  65.335    7.9273   53.883    7.0117   13.276  0.8219 12.046  0.8023 0.000000       0.000000  
1 1 1 7  5  1  o 26.906  0.6660 265.320   13.135  253.389   17.719   279.876   19.571   26.294  0.9194 27.634  0.9662 -1.340012      1.333766  
1 1 1 7  5  2  o 50.978  1.0915 952.496   40.784  996.153   56.623   905.427   58.794   52.132  1.4819 49.700  1.6140 2.431404       2.191078  
1 1 1 7  5  3  o 174.652 3.4287 11188.99  438.917 11595.42  644.395  10837.25  599.481  177.708 4.9472 171.812 4.7604 5.895950       6.865584  
1 1 1 7  5  4  o 178.560 3.4680 11696.07  453.884 11928.43  585.086  11344.92  719.272  180.270 4.4281 175.723 5.5845 4.546371       7.127016  
1 1 1 7  5  5  o 180.568 3.7878 11963.72  501.306 12815.07  708.719  11111.24  709.190  186.782 5.1768 173.891 5.5642 12.89056       7.599960  
1 1 1 7  5  6  o 155.689 3.0591 8891.07   349.083 9156.83   506.767  8651.09   481.554  157.925 4.3780 153.508 4.2799 4.416901       6.122437  
1 1 1 7  5  7  o 168.254 3.2857 10387.06  405.205 10921.92  602.004  9944.02   547.901  172.419 4.7636 164.538 4.5431 7.881424       6.582687  
1 1 1 7  5  8  o 98.121  2.2240 3530.65   159.949 3713.35   292.362  3452.61   191.081  100.558 3.9667 97.017  2.6871 3.541458       4.791142  
1 1 1 7  5  9  o 103.256 2.3328 3910.61   176.549 3657.33   287.240  4064.40   223.817  99.779  3.9276 105.243 2.9015 -5.463058      4.883067  
1 1 1 7  5  10 o 184.646 3.8729 12529.64  524.152 12208.77  778.802  12795.33  708.676  181.945 5.8399 186.388 5.1874 -4.443314      7.811130  
1 1 1 7  5  11 o 78.165  1.9543 2241.04   111.965 2208.66   173.902  2263.96   146.329  77.550  3.0594 78.540  2.5419 -0.9905167     3.977619  
1 1 1 7  5  12 o 113.471 2.2201 4724.92   184.648 4707.74   259.961  4742.42   262.318  113.190 3.1334 113.605 3.1503 -0.4144287     4.443269  
1 1 1 7  5  13 o 67.335  1.3464 1662.54   66.448  1653.36   93.227   1672.02   94.734   67.131  1.8947 67.508  1.9146 -0.3769989     2.693591  
1 1 1 7  5  14 o 81.224  1.6099 2419.93   95.843  2490.79   138.642  2355.06   132.641  82.368  2.2965 80.094  2.2594 2.273323       3.221589  
1 1 1 7  5  15 o 61.377  1.5507 1381.76   69.761  1334.56   106.647  1417.06   92.230   60.283  2.4136 62.137  2.0251 -1.854195      3.150638  
1 1 1 7  5  16 o 32.706  0.7554 392.100   18.109  386.947   23.684   399.352   28.096   32.488  0.9946 33.002  1.1615 -0.5144615     1.529176  
1 1 1 7  5  17 o 148.532 2.9271 8112.09   318.667 7574.86   420.834  8834.17   487.891  143.323 4.0060 154.705 4.3027 -11.38239      5.878872  
1 1 1 7  5  18 o 110.525 2.5160 4489.06   203.823 4464.68   284.851  4514.63   291.771  110.080 3.5304 110.683 3.5965 -0.6028137     5.039739  
1 1 1 7  5  19 o 156.891 3.2974 9067.37   379.187 9300.29   513.968  8789.16   561.709  158.568 4.4222 153.960 4.9776 4.607880       6.658277  
1 1 1 7  5  20 o 79.270  1.8164 2307.24   105.536 2191.25   141.833  2451.11   157.968  77.186  2.5070 81.618  2.6406 -4.432434      3.641137  
1 1 1 7  5  21 o 90.778  1.7874 3027.00   118.929 2967.12   164.879  3091.95   171.711  89.776  2.5057 91.637  2.5565 -1.860565      3.579681  
1 1 1 7  5  22 o 79.071  1.5720 2296.47   91.109  2174.42   122.290  2448.73   136.587  76.862  2.1707 81.547  2.2852 -4.685204      3.151818  
1 1 1 7  5  23 o 20.367  0.5639 152.078   8.4178  150.596   11.746   153.642   12.070   20.264  0.7908 20.467  0.8046 -0.2035942     1.128169  
1 1 1 7  5  24 o 22.620  0.6793 187.659   11.262  172.977   14.967   206.827   17.100   21.710  0.9406 23.738  0.9828 -2.027813      1.360373  
1 1 1 7  5  25 o 24.993  0.6250 229.098   11.449  229.082   16.138   229.115   16.244   24.983  0.8813 24.984  0.8870 -0.1525879E-02 1.250425  
1 1 1 7  5  26 o 34.488  0.9773 436.810   24.704  489.289   42.955   410.871   30.199   36.436  1.6084 33.427  1.2325 3.008144       2.026382  
1 1 1 7  5  27 o 45.474  0.9545 759.493   31.813  809.124   47.514   719.164   42.830   46.880  1.3828 44.205  1.3219 2.674129       1.912976  
1 1 1 7  5  28 f 20.948  0.6019 160.974   9.2415  162.043   13.342   159.988   12.813   21.006  0.8665 20.874  0.8375 0.1322422      1.205083  
1 1 1 7  5  29 o 4.1128  1.3059 6.1157    4.4234  11.386    6.4057   1.3122    6.1156   5.4770  1.5344 3.5333  1.4578 1.943716       2.116484  
1 1 1 7  5  30 o 22.876  0.6634 192.139   11.124  187.609   16.478   195.932   15.078   22.580  0.9956 23.084  0.8911 -0.5047016     1.336171  
1 1 1 7  5  31 o 43.868  0.9351 708.096   30.067  660.251   39.897   770.987   45.742   42.284  1.2873 45.670  1.3665 -3.386509      1.877342  
1 1 1 7  6  0  o 171.268 4.7221 10784.11  591.760 10853.49  841.675  10716.29  832.157  171.542 6.7175 170.455 6.6840 -0.000000      0.000000  
1 1 1 7  6  1  o 234.752 4.5675 20230.75  785.903 20579.13  1129.16  19903.43  1094.52  236.557 6.5124 232.652 6.4185 3.904510       9.143767  
1 1 1 7  6  2  o 97.559  1.9190 3489.13   137.219 3176.79   175.858  3975.29   219.401  93.078  2.5777 104.114 2.8751 -11.03563      3.861419  
1 1 1 7  6  3  f 229.717 4.5268 19373.30  762.199 19131.41  1053.06  19639.46  1104.61  228.089 6.2989 231.070 6.5221 -2.980270      9.067196  
1 1 1 7  6  4  o 178.070 3.7507 11635.69  489.538 11288.36  563.290  12707.65  989.580  175.351 4.3827 185.763 7.2679 -10.41223      8.487099  
1 1 1 7  6  5  o 267.629 5.2259 26321.19  1025.12 27889.20  1368.35  24315.41  1547.62  275.228 6.7830 256.712 8.2250 18.51569       10.66117  
1 1 1 7  6  6  o 164.966 3.2273 9985.09   390.230 9917.87   548.909  10053.79  554.877  164.313 4.5577 165.434 4.5761 -1.120483      6.458564  
1 1 1 7  6  7  o 236.738 4.6487 20597.43  806.640 20039.93  1120.05  21198.16  1162.66  233.188 6.5532 239.820 6.6144 -6.631485      9.310953  
1 1 1 7  6  8  o 121.887 2.7457 5450.88   245.297 5465.34   425.101  5443.67   300.344  121.908 4.7575 121.771 3.3651 0.1368561      5.827312  
1 1 1 7  6  9  o 153.877 3.8330 8700.66   432.310 10018.35  782.937  8122.71   518.521  164.713 6.4851 148.572 4.7616 16.14096       8.045460  
1 1 1 7  6  10 f 43.428  1.1171 691.373   35.560  651.615   53.276   723.317   47.754   42.153  1.7243 44.416  1.4669 -2.262680      2.263860  
1 1 1 7  6  11 o 78.624  1.9753 2267.76   113.831 2183.71   173.140  2331.76   151.070  77.099  3.0639 79.697  2.5862 -2.598450      4.009425  
1 1 1 7  6  12 o 54.373  1.0931 1083.86   43.564  1101.58   62.615   1067.24   60.651   54.806  1.5587 53.946  1.5339 0.8604584      2.186893  
1 1 1 7  6  13 o 123.816 2.4274 5629.23   220.296 5604.26   309.951  5654.72   313.164  123.422 3.4262 123.974 3.4464 -0.5516205     4.859688  
1 1 1 7  6  14 o 114.567 2.2451 4818.84   188.526 4777.50   263.654  4862.10   269.681  113.976 3.1560 114.975 3.2001 -0.9990311     4.494593  
1 1 1 7  6  15 o 99.866  1.9624 3660.20   143.640 3644.33   201.594  3676.56   204.718  99.580  2.7620 100.016 2.7926 -0.4361038     3.927731  
1 1 1 7  6  16 o 102.062 2.0117 3823.46   150.493 3778.92   210.411  3870.10   215.334  101.389 2.8314 102.602 2.8634 -1.212311      4.026852  
1 1 1 7  6  17 o 146.599 3.3363 7912.01   358.489 8235.11   523.300  7626.30   492.097  149.205 4.7851 143.614 4.6749 5.590729       6.689654  
1 1 1 7  6  18 f 166.084 3.2685 10158.24  397.890 9843.59   545.141  10516.96  582.074  163.118 4.5596 168.552 4.7116 -5.433273      6.556567  
1 1 1 7  6  19 o 45.015  0.9277 742.962   30.608  721.972   42.228   766.197   44.428   44.366  1.2986 45.703  1.3263 -1.337753      1.856161  
1 1 1 7  6  20 o 72.637  1.6738 1937.05   89.112  1928.32   125.634  1945.89   126.417  72.408  2.3672 72.737  2.3712 -0.3287964     3.350577  
1 1 1 7  6  21 o 50.501  1.0288 935.436   38.080  909.987   52.340   964.057   55.505   49.790  1.4342 51.246  1.4777 -1.455360      2.059290  
1 1 1 7  6  22 o 92.457  1.8268 3143.58   123.801 3252.22   180.742  3047.56   169.920  93.870  2.6270 90.887  2.5507 2.983131       3.661571  
1 1 1 7  6  23 o 77.365  1.5413 2200.64   87.403  2341.68   131.209  2088.14   117.189  79.661  2.2472 75.252  2.1246 4.408730       3.092557  
1 1 1 7  6  24 o 25.627  0.8696 240.997   16.335  233.702   22.120   249.745   24.224   25.221  1.1966 26.068  1.2678 -0.8473358     1.743341  
1 1 1 7  6  25 o 44.683  0.9372 733.048   30.694  693.844   41.077   782.607   46.185   43.435  1.2903 46.120  1.3662 -2.684963      1.879194  
1 1 1 7  6  26 o 57.080  1.3435 1198.96   56.208  1270.99   83.797   1140.05   75.787   58.637  1.9497 55.555  1.8612 3.081463       2.695449  
1 1 1 7  6  27 o 49.263  1.0249 891.752   37.008  883.117   52.323   900.397   52.352   48.957  1.4581 49.436  1.4448 -0.4790611     2.052705  
1 1 1 7  6  28 o 16.367  0.5757 98.266    6.9064  95.032    9.5311   101.841   10.022   16.067  0.8119 16.654  0.8210 -0.5864315     1.154683  
1 1 1 7  6  29 o 34.050  0.7562 425.773   18.872  439.576   27.374   413.270   26.052   34.561  1.0806 33.513  1.0606 1.047504       1.514134  
1 1 1 7  6  30 f 24.964  0.6341 228.787   11.602  223.124   16.091   234.919   16.745   24.632  0.8912 25.273  0.9039 -0.6414375     1.269408  
1 1 1 7  6  31 o 16.709  0.5871 102.480   7.1898  106.296   10.172   98.672    10.163   17.004  0.8162 16.359  0.8505 0.6452103      1.178804  
1 1 1 7  7  0  o 74.218  2.0638 2023.79   112.072 2086.83   163.407  1967.79   154.000  75.269  2.9724 73.092  2.8848 0.000000       0.000000  
1 1 1 7  7  1  o 124.865 2.4405 5717.09   223.358 5863.35   323.312  5583.56   308.931  126.414 3.4894 123.364 3.4166 3.050095       4.883511  
1 1 1 7  7  2  o 254.320 4.9861 23761.54  929.452 24114.80  1334.57  23428.82  1295.20  255.880 7.1158 252.234 7.0057 3.646530       9.985726  
1 1 1 7  7  3  o 169.959 3.3267 10598.33  414.421 10673.60  525.328  10474.31  674.355  170.503 4.2036 168.799 5.4505 1.704285       6.883168  
1 1 1 7  7  4  o 77.424  1.9225 2197.79   109.102 2288.46   146.042  2083.29   164.124  78.993  2.5224 75.359  2.9714 3.634422       3.897597  
1 1 1 7  7  5  f 247.934 6.8473 22658.77  1244.33 22249.26  1411.23  24089.36  2637.69  245.463 7.8439 252.834 14.292 -7.371429      16.30286  
1 1 1 7  7  6  o 155.971 3.2495 8928.46   371.484 8696.89   479.597  9275.77   587.343  153.854 4.2529 158.810 5.0458 -4.956192      6.599075  
1 1 1 7  7  7  o 270.069 5.2757 26848.92  1044.32 28800.54  1580.76  25337.45  1391.13  279.006 7.7298 261.844 7.2484 17.16214       10.59669  
1 1 1 7  7  8  o 55.704  1.2795 1137.50   52.239  1121.87   89.064   1145.70   64.499   55.303  2.1972 55.900  1.5742 -0.5964966     2.702929  
1 1 1 7  7  9  o 24.152  0.6361 213.799   11.260  183.161   16.971   237.897   15.051   22.353  1.0358 25.476  0.8060 -3.123211      1.312469  
1 1 1 7  7  10 o 51.050  1.0269 955.333   38.424  881.752   58.371   1011.60   51.044   49.034  1.6241 52.527  1.3258 -3.492455      2.096540  
1 1 1 7  7  11 o 140.813 3.2039 7288.34   330.678 7173.62   463.581  7407.17   471.827  139.493 4.5341 141.744 4.5415 -2.251175      6.417399  
1 1 1 7  7  12 o 73.745  1.6893 1994.88   91.308  2245.28   177.226  1904.39   106.535  78.151  3.0939 72.039  2.0176 6.112381       3.693694  
1 1 1 7  7  13 o 118.826 2.3309 5184.56   203.009 5378.49   298.582  5017.84   276.844  120.901 3.3694 116.795 3.2339 4.105225       4.670240  
1 1 1 7  7  14 o 151.414 2.9678 8429.50   329.369 8941.88   492.049  8013.54   443.345  155.666 4.3126 147.412 4.1033 8.253998       5.952716  
1 1 1 7  7  15 o 85.819  1.6897 2702.05   106.287 2763.36   153.535  2645.62   147.285  86.737  2.4150 84.873  2.3676 1.864166       3.381985  
1 1 1 7  7  16 f 42.549  0.8777 663.696   27.371  662.658   38.549   664.751   38.870   42.509  1.2372 42.576  1.2456 -0.6689835E-01 1.755621  
1 1 1 7  7  17 o 58.944  1.3656 1274.37   58.997  1208.26   79.345   1356.11   88.231   57.374  1.8868 60.778  1.9806 -3.404270      2.735454  
1 1 1 7  7  18 o 69.888  1.3887 1791.70   71.134  1833.65   103.116  1753.60   98.258   70.666  1.9908 69.110  1.9397 1.556374       2.779570  
1 1 1 7  7  19 o 10.006  0.6426 36.854    4.6881  43.760    6.7845   30.544    6.4855   10.891  0.8568 9.0728  0.9914 1.818589       1.310328  
1 1 1 7  7  20 o 59.060  1.5028 1280.37   65.054  1218.41   98.422   1328.44   86.691   57.547  2.3334 60.124  1.9672 -2.576122      3.051974  
1 1 1 7  7  21 o 43.275  0.8983 686.804   28.493  705.164   41.118   669.844   39.519   43.833  1.2798 42.722  1.2620 1.111012       1.797388  
1 1 1 7  7  22 o 50.745  1.0402 944.912   38.688  910.524   52.778   984.853   56.880   49.784  1.4464 51.771  1.4990 -1.987457      2.082991  
1 1 1 7  7  23 o 62.446  1.2552 1432.57   57.449  1413.48   79.939   1452.96   82.617   61.955  1.7604 62.808  1.7946 -0.8533974     2.513862  
1 1 1 7  7  24 o 33.110  0.8568 402.322   20.792  434.911   30.907   375.379   28.102   34.401  1.2258 31.962  1.1996 2.439146       1.715076  
1 1 1 7  7  25 o 77.202  1.5413 2195.85   87.214  2087.21   117.429  2329.50   130.244  75.087  2.1337 79.284  2.2413 -4.197304      3.094482  
1 1 1 7  7  26 o 20.873  0.6747 159.851   10.322  147.662   13.934   174.675   15.366   20.051  0.9481 21.807  0.9614 -1.756363      1.350217  
1 1 1 7  7  27 o 58.158  1.1924 1244.25   50.831  1154.32   66.732   1368.54   78.453   55.925  1.6280 60.858  1.7588 -4.932968      2.396564  
1 1 1 7  7  28 o 33.456  0.7478 410.907   18.338  412.104   25.898   409.702   25.970   33.476  1.0555 33.377  1.0615 0.9836960E-01  1.496974  
1 1 1 7  7  29 f 28.321  0.7736 294.643   16.059  297.515   22.697   291.766   22.724   28.426  1.0894 28.149  1.1014 0.2774410      1.549131  
1 1 1 7  7  30 o 11.020  0.6710 44.761    5.3939  44.319    7.5322   45.225    7.7278   10.933  0.9493 11.043  0.9644 -0.1099854     1.353237  
1 1 1 7  8  0  o 26.772  1.1413 264.128   22.303  247.334   29.767   285.622   33.675   25.832  1.5858 27.765  1.6685 0.000000       0.000000  
1 1 1 7  8  1  o 82.424  2.2803 2491.32   137.764 2505.77   195.896  2477.19   193.777  82.636  3.2342 82.164  3.2176 0.4720993      4.562193  
1 1 1 7  8  2  o 150.858 3.7122 8354.81   410.469 8306.98   527.216  8428.42   654.062  150.341 4.7844 151.324 5.8970 -0.9830475     7.593781  
1 1 1 7  8  3  o 213.855 4.1663 16799.19  653.055 16947.45  831.595  16560.65  1054.83  214.647 5.2857 211.930 6.7906 2.717529       8.605331  
1 1 1 7  8  4  o 126.669 2.4718 5885.30   229.492 5861.03   289.035  5926.69   377.500  126.374 3.1204 127.020 4.0548 -0.6451721     5.116433  
1 1 1 7  8  5  o 61.500  1.2144 1386.46   54.742  1391.89   69.652   1377.69   88.537   61.616  1.5423 61.294  1.9707 0.3224983      2.502459  
1 1 1 7  8  6  o 186.673 3.6703 12800.48  502.187 12911.63  715.595  12692.61  704.926  187.259 5.2137 185.669 5.1799 1.589447       7.349411  
1 1 1 7  8  7  o 67.326  1.3377 1661.76   66.013  1913.28   106.020  1502.52   84.361   72.225  2.0027 64.010  1.7981 8.215874       2.691461  
1 1 1 7  8  8  o 208.854 5.7923 16109.09  886.701 17137.74  1877.31  15813.71  1005.98  212.389 12.110 206.682 6.6406 5.706696       13.81081  
1 1 1 7  8  9  o 46.434  0.9336 790.368   31.776  814.386   53.454   777.243   39.516   47.125  1.5475 46.044  1.1709 1.080971       1.940595  
1 1 1 7  8  10 o 118.603 2.3243 5163.41   202.055 5383.49   342.376  5045.80   250.287  120.934 3.8626 117.191 2.9138 3.743027       4.838358  
1 1 1 7  8  11 o 155.101 3.5012 8851.65   398.029 8593.98   547.774  9139.89   579.347  152.534 4.8995 157.272 5.0258 -4.737946      7.018841  
1 1 1 7  8  12 o 15.381  0.5709 86.713    6.4366  80.615    11.710   89.353    7.7051   14.788  1.0879 15.613  0.6733 -0.8250179     1.279434  
1 1 1 7  8  13 o 99.957  1.9689 3667.00   144.249 3427.34   190.286  3990.81   221.181  96.574  2.6882 104.188 2.8964 -7.613838      3.951641  
1 1 1 7  8  14 f 114.618 2.2519 4824.16   189.186 4777.00   264.038  4873.91   271.204  113.947 3.1614 115.090 3.2150 -1.142387      4.508959  
1 1 1 7  8  15 o 113.402 2.2203 4722.40   184.549 4730.63   261.143  4714.19   260.839  113.387 3.1422 113.190 3.1440 0.1974335      4.445024  
1 1 1 7  8  16 o 31.611  0.6908 366.276   16.004  367.964   22.768   364.628   22.502   31.680  0.9805 31.536  0.9735 0.1438446      1.381695  
1 1 1 7  8  17 o 48.512  1.3886 863.278   49.374  848.151   68.237   879.900   71.531   48.064  1.9370 48.953  1.9936 -0.8887177     2.779618  
1 1 1 7  8  18 o 26.749  0.6281 262.271   12.313  243.953   16.538   285.059   18.446   25.795  0.8747 27.883  0.9025 -2.088306      1.256857  
1 1 1 7  8  19 o 26.055  0.6160 248.854   11.764  248.970   16.621   248.738   16.652   26.058  0.8702 26.046  0.8723 0.1214981E-01  1.232142  
1 1 1 7  8  20 o 51.446  1.3317 971.356   50.217  996.409   81.073   955.761   63.965   52.048  2.1252 51.008  1.7109 1.039963       2.728282  
1 1 1 7  8  21 o 55.534  1.1270 1131.71   45.874  1154.65   65.607   1109.77   64.168   56.057  1.5968 54.957  1.5930 1.099792       2.255494  
1 1 1 7  8  22 o 99.247  1.9671 3628.91   143.096 3456.60   192.258  3842.92   214.262  96.632  2.7145 101.829 2.8707 -5.196770      3.950872  
1 1 1 7  8  23 o 18.635  0.5575 127.329   7.6151  132.913   10.983   122.160   10.567   19.034  0.7873 18.247  0.7901 0.7862453      1.115392  
1 1 1 7  8  24 o 22.438  0.6398 184.666   10.523  188.028   13.884   180.128   16.131   22.634  0.8369 22.147  0.9937 0.4872932      1.299167  
1 1 1 7  8  25 o 57.153  1.1616 1200.90   48.661  1247.76   71.128   1159.67   66.717   58.159  1.6686 56.078  1.6232 2.080929       2.327833  
1 1 1 7  8  26 o 62.830  1.2652 1452.70   58.263  1484.01   83.922   1423.58   80.951   63.368  1.8069 62.073  1.7793 1.295727       2.535855  
1 1 1 7  8  27 o 10.291  0.6912 39.038    5.1830  40.639    7.4019   37.498    7.2600   10.471  0.9757 10.052  0.9986 0.4194040      1.396108  
1 1 1 7  8  28 o 11.001  0.6677 44.578    5.3584  37.570    7.4265   52.189    7.7389   10.056  1.0218 11.884  0.8950 -1.827856      1.358360  
1 1 1 7  8  29 o 8.0248  1.1637 24.224    6.6452  34.933    9.2025   12.555    9.6058   9.6359  1.3392 5.9103  1.9290 3.725610       2.348242  
1 1 1 7  8  30 o 14.959  0.5938 82.150    6.5110  84.563    9.2620   79.792    9.1549   15.141  0.8378 14.705  0.8531 0.4363899      1.195715  
1 1 1 7  9  0  o 9.9540  0.5941 36.699    4.2991  29.766    6.0339   43.847    6.1268   8.8601  0.9574 10.855  0.7793 0.000000       0.000000  
1 1 1 7  9  1  o 296.968 5.8015 32492.44  1262.78 31677.43  1740.38  33398.57  1835.08  292.477 8.1184 300.232 8.3391 -7.754974      11.63824  
1 1 1 7  9  2  o 193.460 3.7742 13748.19  535.172 13354.05  658.451  14515.35  918.630  190.543 4.7147 198.369 6.3181 -7.826508      7.883276  
1 1 1 7  9  3  o 68.573  1.3514 1723.81   67.924  1639.99   81.683   1911.69   122.290  66.879  1.6663 72.191  2.3111 -5.311966      2.849211  
1 1 1 7  9  4  o 140.663 2.7632 7261.32   284.885 7276.36   359.345  7235.87   467.412  140.751 3.4832 140.249 4.5469 0.5015106      5.727776  
1 1 1 7  9  5  o 99.348  1.9499 3619.94   141.988 3522.97   175.263  3805.12   242.204  97.987  2.4403 101.788 3.2464 -3.801399      4.061298  
1 1 1 7  9  6  o 43.300  0.9419 687.263   29.894  654.627   44.239   714.687   40.553   42.254  1.4284 44.153  1.2531 -1.898140      1.900175  
1 1 1 7  9  7  o 117.222 2.6527 5044.73   227.919 5191.54   403.904  4976.15   276.073  118.699 4.6425 116.372 3.2366 2.326927       5.659368  
1 1 1 7  9  8  o 90.335  2.5053 2995.97   165.882 3150.39   346.855  2950.18   188.883  92.229  5.1516 89.617  2.8756 2.611916       5.899788  
1 1 1 7  9  9  o 66.537  1.6600 1623.84   80.954  1707.43   134.233  1576.06   101.488  68.180  2.6861 65.533  2.1129 2.647514       3.417490  
1 1 1 7  9  10 o 99.657  2.0975 3645.14   153.213 3817.22   298.714  3583.71   178.477  101.781 4.0041 98.785  2.4650 2.995674       4.702027  
1 1 1 7  9  11 o 39.395  0.9406 568.957   27.160  620.725   41.586   530.453   35.866   41.141  1.3791 38.033  1.2866 3.107277       1.886062  
1 1 1 7  9  12 o 12.598  0.5961 58.172    5.5044  51.267    10.871   60.552    6.3832   11.754  1.2827 12.835  0.6810 -1.080812      1.452226  
1 1 1 7  9  13 o 108.870 2.1329 4351.76   170.202 4287.96   273.554  4392.06   217.408  107.909 3.4586 109.312 2.7135 -1.402664      4.396037  
1 1 1 7  9  14 o 226.429 4.4383 18943.45  736.591 19837.15  1089.15  18190.16  999.947  230.674 6.4418 221.045 6.1719 9.629456       8.921275  
1 1 1 7  9  15 o 36.275  0.7717 482.381   20.518  475.147   28.563   490.093   29.492   35.998  1.0826 36.559  1.1006 -0.5614738     1.543774  
1 1 1 7  9  16 o 26.320  0.6139 253.929   11.843  254.378   16.692   253.474   16.805   26.341  0.8645 26.294  0.8719 0.4695129E-01  1.227891  
1 1 1 7  9  17 o 55.766  1.2988 1140.72   53.087  1139.68   74.712   1141.78   75.446   55.716  1.8295 55.767  1.8458 -0.5058289E-01 2.598831  
1 1 1 7  9  18 o 145.506 2.8616 7798.98   305.188 7941.39   438.512  7665.20   425.007  146.441 4.0854 143.892 4.0298 2.548843       5.738450  
1 1 1 7  9  19 f 35.225  0.7578 454.922   19.566  441.820   26.960   469.502   28.439   34.706  1.0598 35.776  1.0845 -1.070038      1.516382  
1 1 1 7  9  20 o 41.067  0.9969 618.657   30.009  558.019   38.660   710.580   47.599   38.988  1.3528 43.988  1.4763 -5.000740      2.002423  
1 1 1 7  9  21 o 44.525  0.9231 727.294   30.124  715.880   41.971   739.422   43.262   44.152  1.2970 44.870  1.3154 -0.7187805     1.847282  
1 1 1 7  9  22 o 103.028 2.0484 3916.44   154.683 4252.38   235.319  3660.85   205.258  106.943 3.0021 99.310  2.8199 7.632599       4.118756  
1 1 1 7  9  23 o 27.113  0.7379 269.681   14.663  265.369   20.451   274.241   21.034   26.881  1.0380 27.326  1.0502 -0.4449902     1.476584  
1 1 1 7  9  24 o 8.5865  0.7270 27.247    4.5324  30.236    6.4993   24.417    6.3239   9.0175  1.0002 8.0777  1.0964 0.9398298      1.484099  
1 1 1 7  9  25 o 32.612  0.7288 390.283   17.420  365.362   23.324   421.720   26.196   31.534  1.0091 33.875  1.0551 -2.340860      1.459969  
1 1 1 7  9  26 o 49.137  1.0162 887.414   36.598  903.695   52.366   871.868   51.169   49.514  1.4429 48.636  1.4354 0.8782539      2.035292  
1 1 1 7  9  27 o 46.963  1.1327 811.565   38.991  758.069   52.051   879.965   58.857   45.305  1.5675 48.793  1.6458 -3.487492      2.272779  
1 1 1 7  9  28 o 14.489  0.5887 77.038    6.2515  82.043    8.9361   72.240    8.7488   14.920  0.8203 13.994  0.8571 0.9264832      1.186373  
1 1 1 7  9  29 o 16.678  0.6793 102.156   8.3042  109.929   11.705   94.278    11.783   17.259  0.9287 15.969  1.0120 1.290568       1.373494  
1 1 1 7  9  30 o 23.895  0.6348 209.676   11.118  235.020   16.667   189.357   14.924   25.272  0.8998 22.684  0.8976 2.587284       1.270955  
1 1 1 7  10 0  o 132.041 3.6753 6413.25   355.072 6178.45   484.852  6684.83   521.436  129.362 5.1319 134.550 5.3061 0.000000       0.000000  
1 1 1 7  10 1  o 152.695 2.9906 8560.76   334.707 8332.56   461.077  8814.97   486.651  150.512 4.1795 154.792 4.2893 -4.280518      5.988853  
1 1 1 7  10 2  o 77.770  1.5304 2217.64   87.235  2410.76   119.014  1993.42   128.240  81.071  2.0029 73.707  2.3737 7.363495       3.105822  
1 1 1 7  10 3  o 146.486 2.8683 7878.65   307.962 7710.68   382.629  8187.59   518.921  144.838 3.6042 149.089 4.7487 -4.250870      5.961620  
1 1 1 7  10 4  o 61.563  1.2218 1389.45   55.133  1380.38   69.272   1405.12   91.064   61.355  1.5404 61.890  2.0074 -0.5350761     2.530339  
1 1 1 7  10 5  o 123.588 2.4218 5606.27   219.382 5641.26   279.303  5549.92   354.467  123.915 3.0752 122.811 3.9379 1.104500       4.996339  
1 1 1 7  10 6  o 95.942  1.8793 3376.84   132.155 3283.88   182.477  3479.39   191.652  94.567  2.6326 97.337  2.6863 -2.770424      3.761246  
1 1 1 7  10 7  o 182.480 4.1184 12267.79  550.834 12830.31  999.948  12022.74  660.001  185.556 7.3523 180.427 4.9907 5.128815       8.886125  
1 1 1 7  10 8  f 146.855 3.3225 7932.87   357.635 7511.04   478.297  8467.75   538.600  142.663 4.5741 151.410 4.8532 -8.747345      6.669049  
1 1 1 7  10 9  o 14.027  0.4654 72.117    4.7854  69.256    7.8601   73.803    6.0322   13.723  0.7847 14.190  0.5800 -0.4671469     0.9757784 
1 1 1 7  10 10 o 103.401 2.0217 3924.55   153.222 3821.85   243.654  3991.73   197.062  101.910 3.2620 104.230 2.5795 -2.320717      4.158603  
1 1 1 7  10 11 f 43.502  1.0215 693.818   32.572  670.891   44.721   719.721   47.535   42.768  1.4266 44.296  1.4641 -1.528091      2.044203  
1 1 1 7  10 12 f 67.459  1.7072 1669.78   84.411  1494.78   119.255  1845.50   119.497  63.779  2.5511 70.885  2.3000 -7.106285      3.434788  
1 1 1 7  10 13 o 70.419  1.4048 1818.87   72.510  1653.10   108.803  1951.31   97.255   67.092  2.2125 72.917  1.8197 -5.825600      2.864738  
1 1 1 7  10 14 o 146.430 2.8727 7887.18   308.324 8796.29   557.882  7487.38   369.959  154.082 4.9398 142.534 3.5412 11.54869       6.077985  
1 1 1 7  10 15 o 125.057 2.6167 5750.72   239.852 5586.99   355.613  5887.37   324.871  123.002 3.9444 126.365 3.5075 -3.363503      5.278383  
1 1 1 7  10 16 o 58.070  1.4693 1237.24   62.538  1244.79   98.595   1232.15   80.893   58.197  2.3114 57.928  1.9052 0.2696724      2.995392  
1 1 1 7  10 17 o 14.907  0.7208 81.466    7.8755  92.200    10.962   70.017    11.322   15.829  0.9493 13.770  1.1317 2.058146       1.477134  
1 1 1 7  10 18 o 86.890  2.1667 2776.69   137.993 2735.61   175.453  2843.30   223.436  86.147  2.7787 87.683  3.4766 -1.536049      4.450600  
1 1 1 7  10 19 o 89.139  1.8782 2921.15   122.713 2927.51   187.769  2916.41   162.125  89.048  2.8769 88.961  2.4864 0.8625793E-01  3.802438  
1 1 1 7  10 20 o 14.786  0.6224 80.154    6.7454  72.902    9.1713   88.699    9.9556   14.069  0.8940 15.526  0.8785 -1.456418      1.253374  
1 1 1 7  10 21 o 8.4864  0.7062 26.596    4.3527  24.903    6.0351   28.431    6.2837   8.1724  1.0304 8.7447  0.9983 -0.5723171     1.434678  
1 1 1 7  10 22 o 11.879  0.5747 51.750    5.0044  48.875    6.8788   54.983    7.2940   11.512  0.8206 12.214  0.8195 -0.7016459     1.159759  
1 1 1 7  10 23 o 21.733  0.7975 173.345   12.704  158.168   16.428   195.919   20.035   20.719  1.0855 23.054  1.1897 -2.335213      1.610541  
1 1 1 7  10 24 o 45.755  0.9496 768.976   31.847  817.913   47.590   729.285   42.859   47.130  1.3776 44.513  1.3136 2.617054       1.903560  
1 1 1 7  10 25 o 34.368  0.7550 433.536   19.020  434.487   26.878   432.582   26.917   34.378  1.0667 34.303  1.0706 0.7582855E-01  1.511281  
1 1 1 7  10 26 o 78.872  1.5823 2296.83   91.475  2477.17   138.334  2156.69   121.941  81.566  2.3139 76.172  2.1841 5.393440       3.181865  
1 1 1 7  10 27 o 29.616  0.8050 322.169   17.475  345.785   26.289   303.473   23.391   30.643  1.1705 28.714  1.1114 1.929190       1.614062  
1 1 1 7  10 28 o 15.843  0.5817 92.127    6.7552  86.930    9.3211   97.876    9.8039   15.355  0.8313 16.297  0.8234 -0.9416151     1.170049  
1 1 1 7  10 29 o 13.045  0.6316 62.491    6.0390  56.760    8.3134   68.895    8.7872   12.384  0.9225 13.655  0.8827 -1.271338      1.276756  
1 1 1 7  11 0  o 115.732 3.2094 4926.95   271.770 4827.94   375.751  5035.56   393.547  114.353 4.4988 116.775 4.6143 0.000000       0.000000  
1 1 1 7  11 1  o 102.586 2.0028 3861.11   150.591 3783.21   186.742  4005.97   254.653  101.513 2.5098 104.389 3.3282 -2.876259      4.168473  
1 1 1 7  11 2  o 112.021 2.1874 4605.17   179.604 4595.93   226.370  4620.86   295.066  111.863 2.7609 112.082 3.5917 -0.2183990     4.530252  
1 1 1 7  11 3  o 150.839 2.9381 8359.70   324.837 8246.93   405.461  8561.81   542.791  149.706 3.6951 152.312 4.8620 -2.605759      6.106836  
1 1 1 7  11 4  o 142.661 2.7970 7477.03   292.465 7756.07   382.699  7085.25   453.464  145.182 3.5964 138.610 4.4634 6.572037       5.732002  
1 1 1 7  11 5  o 114.956 2.2643 4851.13   190.788 4618.57   229.794  5367.15   342.295  112.117 2.7963 120.721 3.8684 -8.603958      4.773286  
1 1 1 7  11 6  o 121.711 2.3842 5439.60   212.692 5859.08   322.400  5116.34   283.017  126.176 3.4861 117.937 3.2740 8.239365       4.782459  
1 1 1 7  11 7  o 30.547  0.7459 342.041   16.700  337.000   28.876   344.575   20.471   30.315  1.2996 30.658  0.9110 -0.3436108     1.587055  
1 1 1 7  11 8  o 85.111  1.9305 2658.63   120.432 2474.48   158.424  2910.73   185.363  82.058  2.6340 88.978  2.8422 -6.919945      3.875078  
1 1 1 7  11 9  o 222.244 4.3513 18241.62  708.801 18150.96  1152.43  18296.77  898.939  220.263 7.1382 222.058 5.5231 -1.795334      9.025461  
1 1 1 7  11 10 o 61.546  1.2209 1389.07   55.074  1457.40   94.394   1353.80   67.813   63.006  2.0440 60.749  1.5230 2.256649       2.549011  
1 1 1 7  11 11 o 64.446  1.3655 1523.34   64.500  1429.12   92.760   1611.54   89.748   62.391  2.0284 66.263  1.8479 -3.872456      2.743916  
1 1 1 7  11 12 o 39.002  0.9435 557.696   26.971  528.845   44.643   574.281   33.847   37.965  1.6043 39.574  1.1669 -1.608036      1.983777  
1 1 1 7  11 13 o 61.329  1.2244 1379.37   55.038  1398.06   91.069   1368.62   69.081   61.706  2.0136 61.077  1.5431 0.6290970      2.536863  
1 1 1 7  11 14 o 9.9209  0.5867 36.203    4.2471  42.508    7.1657   32.789    5.2731   10.728  0.9202 9.4260  0.7699 1.302144       1.199821  
1 1 1 7  11 15 o 44.824  0.9198 736.659   30.219  697.826   46.858   764.309   39.539   43.611  1.4659 45.650  1.1817 -2.039589      1.882918  
1 1 1 7  11 16 o 85.195  1.9416 2666.20   121.245 2789.97   178.989  2561.25   164.818  87.040  2.8056 83.411  2.6959 3.628578       3.890918  
1 1 1 7  11 17 o 92.823  1.8244 3165.45   124.127 3057.03   169.617  3290.46   182.134  91.114  2.5398 94.512  2.6292 -3.398445      3.655592  
1 1 1 7  11 18 o 116.888 2.2986 5030.82   196.930 4752.34   263.323  5384.24   296.647  113.368 3.1690 120.604 3.3558 -7.236801      4.615595  
1 1 1 7  11 19 o 60.468  1.2108 1342.14   53.661  1303.85   73.821   1385.05   78.141   59.553  1.6912 61.374  1.7370 -1.820950      2.424345  
1 1 1 7  11 20 o 25.643  0.7021 241.155   13.197  251.639   19.276   231.906   18.105   26.185  1.0043 25.138  0.9826 1.046852       1.405066  
1 1 1 7  11 21 o 39.492  0.9643 572.528   27.913  543.119   37.784   607.864   41.417   38.433  1.3413 40.655  1.3899 -2.221390      1.931531  
1 1 1 7  11 22 o 44.408  0.9223 724.035   30.022  688.491   40.478   767.494   44.758   43.268  1.2763 45.675  1.3369 -2.407356      1.848359  
1 1 1 7  11 23 o 42.770  1.0418 672.229   32.658  683.516   46.295   661.048   46.077   43.069  1.4665 42.353  1.4843 0.7165985      2.086571  
1 1 1 7  11 24 f 13.489  0.6261 66.758    6.1901  62.737    7.9779   72.841    9.8126   13.044  0.8389 14.048  0.9587 -1.003508      1.273898  
1 1 1 7  11 25 o 27.787  0.7015 283.384   14.288  280.804   21.254   285.510   19.299   27.635  1.0493 27.874  0.9446 -0.2393169     1.411845  
1 1 1 7  11 26 o 29.587  0.6953 321.337   15.078  358.893   23.022   293.125   19.953   31.240  1.0054 28.237  0.9641 3.003275       1.392955  
1 1 1 7  11 27 o 16.113  0.9490 95.835    11.159  71.137    18.671   109.559   13.918   13.703  1.9110 17.211  1.1092 -3.507990      2.209527  
1 1 1 7  11 28 o 11.144  0.7729 45.869    6.2739  52.494    9.7160   41.131    8.2167   11.878  1.1296 10.509  1.0823 1.369022       1.564407  
1 1 1 7  11 29 o 50.279  1.4781 937.638   54.472  920.189   74.904   957.224   79.358   49.530  2.0633 50.470  2.1452 -0.9399872     2.976418  
1 1 1 7  12 0  o 34.140  1.0024 428.319   25.035  448.944   36.643   410.265   34.283   34.905  1.4378 33.364  1.4076 0.000000       0.000000  
1 1 1 7  12 1  o 59.764  1.2584 1309.71   55.124  1317.90   73.370   1299.09   83.528   59.938  1.6701 59.500  1.9153 0.4385643      2.541172  
1 1 1 7  12 2  o 148.384 2.8933 8093.23   314.674 8217.37   404.106  7902.00   501.546  149.378 3.6909 146.269 4.6782 3.109207       5.958853  
1 1 1 7  12 3  o 64.036  1.2624 1503.68   59.254  1522.47   75.906   1474.36   94.806   64.423  1.6075 63.379  2.0409 1.044521       2.597914  
1 1 1 7  12 4  o 97.475  1.9088 3486.88   136.374 3377.87   167.372  3702.20   235.230  95.903  2.3811 100.315 3.1992 -4.412277      3.988055  
1 1 1 7  12 5  o 115.945 2.4252 4938.17   206.101 5078.18   279.607  4771.58   304.987  117.469 3.2475 113.804 3.6563 3.664688       4.890246  
1 1 1 7  12 6  o 15.706  0.4458 90.412    5.1318  93.823    7.5676   87.507    6.9825   15.999  0.6453 15.451  0.6166 0.5477352      0.8925215 
1 1 1 7  12 7  o 157.881 3.9203 9194.82   453.656 8759.93   962.810  9318.91   514.327  151.961 8.6803 158.803 4.4188 -6.841705      9.740246  
1 1 1 7  12 8  o 94.507  1.8523 3278.15   128.305 3256.46   180.426  3300.34   182.494  94.123  2.6153 94.754  2.6277 -0.6306915     3.707348  
1 1 1 7  12 9  o 84.544  1.6609 2622.76   102.919 2579.57   165.639  2649.92   131.352  83.760  2.6980 84.949  2.1096 -1.188377      3.424865  
1 1 1 7  12 10 o 63.904  1.2650 1497.69   59.251  1462.82   94.601   1520.20   76.005   63.118  2.0448 64.367  1.6110 -1.249477      2.603209  
1 1 1 7  12 11 o 75.500  1.4873 2091.19   82.307  2058.30   132.709  2111.74   104.925  74.840  2.4193 75.846  1.8874 -1.006004      3.068437  
1 1 1 7  12 12 o 212.873 5.3175 16838.77  829.676 18447.75  1429.72  16021.81  1018.76  220.136 8.8609 206.796 6.7212 13.33984       11.12163  
1 1 1 7  12 13 o 47.737  1.0333 835.614   36.154  891.593   58.872   801.719   45.811   49.289  1.6296 46.750  1.3369 2.539345       2.107828  
1 1 1 7  12 14 o 56.007  1.1216 1150.40   46.041  1184.11   77.220   1131.81   57.350   56.786  1.8553 55.541  1.4088 1.245060       2.329529  
1 1 1 7  12 15 o 31.767  0.6878 369.936   16.014  361.670   25.914   375.043   20.369   31.402  1.1259 31.982  0.8689 -0.5805283     1.422207  
1 1 1 7  12 16 o 51.708  1.6992 982.011   64.400  948.521   106.851  1001.12   80.705   50.632  2.8912 52.177  2.1103 -1.544987      3.579412  
1 1 1 7  12 17 o 38.160  0.8007 533.962   22.397  528.962   31.362   539.165   31.994   37.970  1.1269 38.334  1.1387 -0.3639641     1.602054  
1 1 1 7  12 18 o 71.095  1.4114 1856.42   73.549  1844.38   103.219  1868.83   104.826  70.789  1.9894 71.254  2.0072 -0.4649048     2.826004  
1 1 1 7  12 19 o 53.500  1.0806 1050.67   42.376  1084.29   61.610   1020.49   58.378   54.303  1.5479 52.685  1.5118 1.617733       2.163667  
1 1 1 7  12 20 o 7.2290  0.7799 19.395    4.0668  16.918    5.5438   22.282    5.9842   6.6887  1.1736 7.7137  1.0887 -1.024986      1.600798  
1 1 1 7  12 21 o 54.456  1.2749 1090.57   50.885  1089.95   72.125   1091.20   71.800   54.344  1.8107 54.377  1.8015 -0.3302765E-01 2.554252  
1 1 1 7  12 22 o 46.695  0.9618 800.992   32.918  839.268   48.458   768.195   44.856   47.737  1.3849 45.679  1.3397 2.058849       1.926893  
1 1 1 7  12 23 o 54.364  1.1074 1086.79   44.126  1125.76   64.185   1051.86   60.763   55.232  1.5855 53.396  1.5526 1.836033       2.219049  
1 1 1 7  12 24 o 34.482  0.7522 436.480   19.011  441.284   27.083   431.813   26.692   34.641  1.0667 34.268  1.0627 0.3732948      1.505694  
1 1 1 7  12 25 o 36.377  0.7858 485.937   20.952  478.704   29.124   493.697   30.166   36.069  1.1016 36.627  1.1237 -0.5575104     1.573574  
1 1 1 7  12 26 o 19.011  0.5744 132.623   8.0039  131.770   11.205   133.510   11.437   18.938  0.8072 19.062  0.8186 -0.1239376     1.149638  
1 1 1 7  12 27 f 26.182  0.8302 252.072   15.931  260.669   26.312   247.096   20.018   26.517  1.3583 25.896  1.0546 0.6210442      1.719663  
1 1 1 7  12 28 o 10.887  0.9018 43.931    7.1315  43.041    9.3705   45.156    10.994   10.726  1.2132 10.954  1.4014 -0.2277346     1.853601  
1 1 1 7  13 0  o 8.3107  0.6944 25.841    4.1621  18.341    7.4693   29.218    5.0124   6.4141  1.8330 8.8240  0.7895 0.000000       0.000000  
1 1 1 7  13 1  o 25.912  0.5597 246.104   10.631  245.684   13.498   246.790   17.254   25.889  0.7113 25.945  0.9073 -0.5645561E-01 1.152894  
1 1 1 7  13 2  o 63.033  1.2450 1457.08   57.521  1522.99   75.751   1367.34   88.399   64.429  1.6041 61.030  1.9762 3.398544       2.545250  
1 1 1 7  13 3  o 59.346  1.1752 1291.50   51.120  1254.48   62.954   1363.16   87.591   58.479  1.4687 60.937  1.9611 -2.457642      2.450106  
1 1 1 7  13 4  o 148.764 2.9014 8140.87   316.362 8153.66   400.835  8119.74   515.196  148.712 3.6774 148.107 4.7459 0.6046906      6.003869  
1 1 1 7  13 5  o 148.764 2.9021 8141.39   316.441 8360.75   459.277  7943.15   436.614  150.451 4.1648 146.674 4.0613 3.777405       5.817203  
1 1 1 7  13 6  o 63.657  1.3454 1486.31   62.772  1483.77   95.942   1488.22   83.003   63.567  2.0592 63.678  1.7784 -0.1109619     2.720820  
1 1 1 7  13 7  o 41.693  1.0645 637.387   32.529  674.922   54.051   616.072   40.731   42.884  1.7196 40.983  1.3559 1.901527       2.189869  
1 1 1 7  13 8  o 72.734  1.4353 1940.67   76.520  1865.65   104.397  2027.76   112.485  71.281  1.9982 74.309  2.0653 -3.027649      2.873669  
1 1 1 7  13 9  o 8.5540  0.5694 26.939    3.5498  23.538    5.2159   29.873    4.8450   7.9607  0.9103 8.9967  0.7413 -1.036039      1.173954  
1 1 1 7  13 10 o 112.319 2.1968 4634.52   180.850 4784.41   304.304  4552.66   224.871  113.879 3.6457 111.245 2.7579 2.634567       4.571322  
1 1 1 7  13 11 o 31.637  0.6839 366.911   15.858  359.542   25.674   371.457   20.165   31.312  1.1187 31.830  0.8643 -0.5188923     1.413659  
1 1 1 7  13 12 o 97.149  2.2051 3468.48   157.017 3411.28   219.207  3528.76   225.018  96.212  3.1084 97.850  3.1374 -1.637611      4.416559  
1 1 1 7  13 13 o 19.974  0.6111 146.246   8.9468  160.939   17.729   141.226   10.363   20.915  1.1611 19.627  0.7204 1.287594       1.366389  
1 1 1 7  13 14 o 57.512  1.1501 1213.27   48.482  1281.74   83.313   1178.21   59.616   59.064  1.9244 56.660  1.4355 2.403782       2.400858  
1 1 1 7  13 15 o 19.059  0.5360 133.150   7.4876  135.031   12.546   132.109   9.3316   19.189  0.8920 18.983  0.6707 0.2060814      1.116029  
1 1 1 7  13 16 o 33.772  0.8462 418.280   20.947  447.896   38.352   405.690   25.007   34.922  1.4983 33.255  1.0259 1.667278       1.815898  
1 1 1 7  13 17 o 42.052  0.9344 648.695   28.801  633.211   43.135   661.151   38.687   41.520  1.4174 42.437  1.2438 -0.9171371     1.885739  
1 1 1 7  13 18 o 48.487  0.9871 862.764   35.080  864.817   49.656   860.718   49.567   48.511  1.3965 48.396  1.3973 0.1151543      1.975567  
1 1 1 7  13 19 o 25.496  0.6064 238.382   11.331  244.132   16.205   232.881   15.851   25.793  0.8571 25.192  0.8585 0.6014137      1.213122  
1 1 1 7  13 20 o 31.723  0.7017 369.211   16.315  370.963   23.127   367.475   23.018   31.781  0.9928 31.631  0.9928 0.1497517      1.404069  
1 1 1 7  13 21 o 37.703  1.0415 522.404   28.782  565.365   48.753   499.422   35.659   39.132  1.6998 36.833  1.3208 2.299118       2.152617  
1 1 1 7  13 22 o 17.719  0.6088 115.181   7.9063  111.167   10.798   119.821   11.609   17.399  0.8467 18.062  0.8769 -0.6632385     1.218931  
1 1 1 7  13 23 o 20.426  0.5611 153.054   8.4013  162.887   12.166   144.090   11.616   21.062  0.7881 19.809  0.8000 1.253103       1.122969  
1 1 1 7  13 24 o 29.639  0.6760 322.424   14.686  319.075   20.439   325.999   21.117   29.463  0.9465 29.779  0.9675 -0.3159657     1.353453  
1 1 1 7  13 25 o 27.001  0.6451 267.609   12.768  289.230   18.962   249.675   17.270   28.047  0.9224 26.061  0.9041 1.986679       1.291584  
1 1 1 7  13 26 f 37.786  0.8164 524.907   22.611  512.676   31.203   538.430   32.810   37.287  1.1417 38.206  1.1716 -0.9188461     1.635906  
1 1 1 7  13 27 o 10.426  0.7645 40.182    5.8017  37.930    7.9649   42.727    8.4677   10.082  1.0955 10.707  1.0943 -0.6257067     1.548472  
1 1 1 7  13 28 o 7.2574  0.9060 19.695    4.7146  23.842    6.6442   15.490    6.6909   7.9492  1.1758 6.3359  1.4693 1.613226       1.881875  
1 1 1 7  14 0  o 30.029  0.9032 331.430   19.839  379.797   43.893   319.012   22.241   32.013  1.8856 29.446  1.0334 0.000000       0.000000  
1 1 1 7  14 1  o 52.816  1.0584 1022.86   40.972  1040.81   52.841   995.793   64.882   53.268  1.3534 52.090  1.6994 1.178173       2.172450  
1 1 1 7  14 2  o 95.523  1.8708 3349.71   130.982 3354.94   166.253  3341.14   212.678  95.548  2.3739 95.268  3.0458 0.2807388      3.861632  
1 1 1 7  14 3  o 37.573  0.7716 517.534   21.249  510.756   26.715   529.208   35.059   37.323  0.9765 37.986  1.2592 -0.6623383     1.593498  
1 1 1 7  14 4  o 120.442 2.3587 5330.92   208.227 5316.07   263.264  5355.74   340.302  120.174 2.9888 120.446 3.8547 -0.2716370     4.877701  
1 1 1 7  14 5  o 116.687 2.2955 5003.09   196.330 4886.82   273.144  5127.37   282.393  115.174 3.2356 117.969 3.2659 -2.794800      4.597334  
1 1 1 7  14 6  o 90.188  2.0372 2987.18   134.666 2929.53   228.958  3017.67   166.514  89.130  3.5047 90.598  2.5076 -1.467819      4.309373  
1 1 1 7  14 7  o 63.611  1.4547 1484.53   67.823  1392.35   89.941   1606.05   103.266  61.575  1.9928 66.122  2.1307 -4.547077      2.917447  
1 1 1 7  14 8  o 61.345  1.2131 1380.22   54.545  1404.80   78.578   1357.37   75.773   61.864  1.7329 60.813  1.7000 1.051609       2.427549  
1 1 1 7  14 9  o 88.765  1.7463 2892.42   113.617 2789.32   154.667  3013.26   167.450  87.101  2.4226 90.518  2.5239 -3.416580      3.498453  
1 1 1 7  14 10 o 81.135  1.5929 2416.09   94.726  2352.05   150.842  2457.79   121.720  79.957  2.5738 81.795  2.0303 -1.837204      3.278223  
1 1 1 7  14 11 o 62.550  1.2412 1435.21   56.903  1533.38   99.097   1386.92   69.503   64.597  2.0930 61.473  1.5426 3.124458       2.600018  
1 1 1 7  14 12 o 81.456  1.8552 2437.16   110.764 2551.17   163.984  2341.50   150.209  83.235  2.6879 79.758  2.5695 3.477272       3.718457  
1 1 1 7  14 13 o 18.188  0.5981 121.269   7.9739  137.066   16.154   116.180   9.1689   19.296  1.1473 17.802  0.7027 1.494095       1.345424  
1 1 1 7  14 14 o 56.256  1.1257 1161.09   46.416  1177.11   76.927   1151.92   58.206   56.588  1.8547 56.015  1.4177 0.5737457      2.334455  
1 1 1 7  14 15 f 65.732  1.5087 1587.10   72.686  1622.08   128.273  1570.56   88.216   66.294  2.6398 65.351  1.8417 0.9429779      3.218790  
1 1 1 7  14 16 f 41.930  0.8722 644.896   26.805  611.375   42.160   667.641   34.728   40.796  1.4100 42.651  1.1109 -1.855110      1.795019  
1 1 1 7  14 17 o 56.980  1.1461 1192.19   47.864  1142.34   75.333   1225.94   61.984   55.690  1.8456 57.745  1.4645 -2.055569      2.356007  
1 1 1 7  14 18 o 47.251  0.9697 819.639   33.584  765.556   51.583   859.432   44.246   45.604  1.5432 48.356  1.2484 -2.752113      1.984913  
1 1 1 7  14 19 o 16.548  0.5432 100.426   6.5891  102.615   9.4434   98.349    9.1982   16.722  0.7705 16.371  0.7666 0.3511868      1.086860  
1 1 1 7  14 20 o 49.086  1.0062 885.333   36.200  852.676   49.348   923.380   53.266   48.113  1.3994 50.058  1.4518 -1.945301      2.016384  
1 1 1 7  14 21 o 43.007  1.1454 680.445   36.105  716.084   60.607   660.840   44.953   43.976  1.8803 42.334  1.4487 1.641792       2.373682  
1 1 1 7  14 22 o 40.433  1.1946 601.852   35.403  594.056   48.684   610.601   51.576   40.086  1.6570 40.625  1.7321 -0.5380554     2.397026  
1 1 1 7  14 23 o 46.137  0.9549 782.547   32.292  800.191   46.439   766.026   44.935   46.579  1.3602 45.576  1.3451 1.002007       1.913012  
1 1 1 7  14 24 o 14.691  0.5752 79.196    6.1938  69.991    8.3569   90.417    9.2261   13.776  0.8315 15.667  0.8062 -1.890697      1.158163  
1 1 1 7  14 25 o 18.458  0.5571 125.033   7.5372  125.463   10.498   124.575   10.828   18.477  0.7752 18.410  0.8025 0.6727600E-01  1.115716  
1 1 1 7  14 26 o 11.357  0.6391 47.529    5.2982  51.708    7.4842   43.330    7.5015   11.822  0.8699 10.804  0.9572 1.017627       1.293384  
1 1 1 7  14 27 o 3.2377  1.2998 1.8303    4.7072  -0.7197   6.3952   4.8453    6.9537   3.3189  1.4346 4.2601  1.6165 -0.9412298     2.161330  
1 1 1 7  15 0  o 54.460  1.5574 1090.29   62.051  969.917   109.169  1147.74   75.418   51.136  2.9348 55.846  1.8471 0.000000       0.000000  
1 1 1 7  15 1  f 85.601  1.6785 2689.49   105.316 2664.11   147.923  2715.58   149.976  85.133  2.3706 85.950  2.3807 -0.8172760     3.359647  
1 1 1 7  15 2  o 36.231  0.7484 481.229   19.876  485.632   25.536   474.463   31.657   36.393  0.9573 35.967  1.2008 0.4260101      1.535730  
1 1 1 7  15 3  o 70.926  1.3981 1845.53   72.681  1957.35   97.260   1704.11   109.378  73.016  1.8173 68.102  2.1912 4.914536       2.846790  
1 1 1 7  15 4  o 69.270  1.3638 1760.28   69.244  1774.57   88.455   1737.65   111.279  69.529  1.7357 68.767  2.2078 0.7620544      2.808368  
1 1 1 7  15 5  o 54.317  1.0806 1081.94   43.021  1073.22   60.366   1090.93   61.327   54.080  1.5229 54.524  1.5345 -0.4439392     2.161949  
1 1 1 7  15 6  o 62.589  1.4272 1437.32   65.476  1434.94   113.405  1438.51   80.191   62.465  2.4769 62.597  1.7478 -0.1323090     3.031519  
1 1 1 7  15 7  o 84.518  1.9142 2623.52   118.582 2629.03   168.025  2618.06   167.379  84.515  2.7124 84.339  2.7076 0.1760025      3.832576  
1 1 1 7  15 8  o 69.329  1.3650 1763.54   69.364  1723.79   96.088   1806.78   100.234  68.505  1.9137 70.132  1.9499 -1.626625      2.732084  
1 1 1 7  15 9  o 25.926  0.5876 246.389   11.165  268.309   17.052   229.941   14.772   27.051  0.8600 25.043  0.8047 2.007998       1.177830  
1 1 1 7  15 10 o 100.359 1.9709 3700.96   144.977 3693.95   236.061  3705.20   183.704  100.044 3.2193 100.336 2.4979 -0.2926178     4.074707  
1 1 1 7  15 11 o 74.228  1.4662 2022.47   79.770  2052.16   132.258  2005.49   100.007  74.667  2.4166 73.880  1.8468 0.7868271      3.041515  
1 1 1 7  15 12 o 111.446 2.3348 4572.76   190.715 4543.87   289.479  4594.92   253.509  110.754 3.5660 111.520 3.1014 -0.7652664     4.725987  
1 1 1 7  15 13 o 73.778  1.6922 2000.45   91.507  1890.03   150.720  2064.91   115.160  71.524  2.8750 74.901  2.0977 -3.377060      3.558902  
1 1 1 7  15 14 o 52.638  1.0590 1016.69   40.859  1076.65   70.446   986.292   50.158   54.107  1.7763 51.827  1.3204 2.279842       2.213295  
1 1 1 7  15 15 o 44.132  1.2680 715.286   41.016  676.021   76.860   730.920   48.499   42.708  2.4658 44.594  1.4838 -1.886028      2.877818  
1 1 1 7  15 16 o 70.490  1.3985 1826.75   72.254  1859.32   120.220  1808.34   90.404   70.922  2.3127 70.069  1.7603 0.8524551      2.906375  
1 1 1 7  15 17 o 42.803  0.8875 672.469   27.843  708.193   47.652   653.950   34.309   43.863  1.4822 42.191  1.1095 1.672886       1.851421  
1 1 1 7  15 18 o 19.585  0.5373 140.673   7.7136  137.934   12.772   142.245   9.6779   19.381  0.8991 19.691  0.6706 -0.3091068     1.121607  
1 1 1 7  15 19 o 28.846  0.6582 305.298   13.915  321.773   23.813   296.754   17.148   29.582  1.0982 28.430  0.8229 1.152834       1.372335  
1 1 1 7  15 20 o 34.167  0.7421 428.562   18.584  433.056   26.514   424.222   26.055   34.316  1.0541 33.965  1.0466 0.3509979      1.485435  
1 1 1 7  15 21 o 19.859  0.6472 144.737   9.4202  135.656   12.818   155.400   13.890   19.213  0.9102 20.563  0.9216 -1.349972      1.295342  
1 1 1 7  15 22 f 21.620  0.6734 171.576   10.670  169.641   14.533   173.840   15.716   21.482  0.9230 21.741  0.9862 -0.2595501     1.350775  
1 1 1 7  15 23 o 32.828  0.7283 395.780   17.524  406.687   25.202   385.570   24.382   33.242  1.0344 32.369  1.0277 0.8736534      1.458107  
1 1 1 7  15 24 o 21.245  0.5839 165.672   9.0925  171.057   13.006   160.523   12.717   21.571  0.8226 20.896  0.8303 0.6753922      1.168778  
1 1 1 7  15 25 f 9.2675  1.1669 32.207    7.7506  24.982    11.994   37.389    10.156   8.0106  2.0378 9.9440  1.4350 -1.933365      2.492377  
1 1 1 7  15 26 o 17.211  0.5947 108.804   7.5020  104.425   10.240   113.879   11.022   16.843  0.8295 17.586  0.8551 -0.7434216     1.191300  
1 1 1 7  15 27 o 13.488  0.9702 67.427    9.5271  59.268    10.844   95.027    19.945   12.604  1.1879 15.854  1.7453 -3.249873      2.111162  
1 1 1 7  16 0  o 144.323 4.0104 7688.40   423.493 8639.32   946.282  7450.24   473.565  151.147 8.6054 141.915 4.5634 0.000000       0.000000  
1 1 1 7  16 1  o 83.769  1.6416 2575.90   100.793 2696.76   148.758  2473.33   137.046  85.636  2.3700 82.022  2.2796 3.613747       3.288372  
1 1 1 7  16 2  o 91.331  1.7872 3062.96   119.642 3056.98   169.059  3068.96   169.341  91.152  2.5304 91.331  2.5297 -0.1784210     3.578001  
1 1 1 7  16 3  o 130.087 2.5438 6226.90   242.545 6208.37   305.688  6258.41   398.498  129.738 3.2146 129.971 4.1831 -0.2332001     5.275629  
1 1 1 7  16 4  o 60.502  1.1996 1342.76   53.199  1339.36   67.361   1348.37   86.726   60.409  1.5213 60.583  1.9531 -0.1738091     2.475668  
1 1 1 7  16 5  o 42.585  0.8629 664.924   26.935  722.424   41.143   621.796   35.632   44.375  1.2649 41.172  1.1808 3.203617       1.730394  
1 1 1 7  16 6  o 80.161  1.9878 2361.26   116.792 2474.19   272.856  2335.93   129.229  81.459  4.5886 79.704  2.2121 1.754883       5.094008  
1 1 1 7  16 7  o 68.497  1.4427 1721.97   72.430  1730.06   96.344   1711.45   109.843  68.619  1.9156 68.222  2.1967 0.3975525      2.914584  
1 1 1 7  16 8  o 90.501  1.7758 3008.58   117.794 3013.51   166.789  3003.68   166.385  90.470  2.5152 90.323  2.5132 0.1473694      3.555672  
1 1 1 7  16 9  o 44.845  0.9082 737.505   29.852  699.608   40.295   783.608   44.444   43.664  1.2591 46.209  1.3122 -2.544525      1.818552  
1 1 1 7  16 10 o 32.711  0.7025 392.298   16.842  421.373   25.421   369.554   22.484   33.893  1.0233 31.742  0.9664 2.150759       1.407514  
1 1 1 7  16 11 o 34.101  0.7196 426.395   17.985  404.696   28.338   441.031   23.273   33.208  1.1643 34.676  0.9157 -1.467663      1.481210  
1 1 1 7  16 12 o 83.509  1.6421 2563.46   100.513 2518.76   161.541  2591.69   128.395  82.574  2.6691 83.890  2.0881 -1.315826      3.388842  
1 1 1 7  16 13 o 36.231  0.8810 481.535   23.394  468.602   32.484   495.470   33.719   35.723  1.2406 36.733  1.2524 -1.009193      1.762848  
1 1 1 7  16 14 o 45.993  1.0105 776.432   34.066  751.598   50.963   796.490   45.802   45.205  1.5381 46.556  1.3422 -1.350285      2.041400  
1 1 1 7  16 15 o 59.460  1.5062 1301.07   65.642  1387.70   154.243  1281.91   72.538   60.775  3.4770 58.992  1.6776 1.783360       3.860597  
1 1 1 7  16 16 o 32.030  0.6959 376.388   16.339  366.936   26.270   382.350   20.865   31.598  1.1343 32.272  0.8821 -0.6748943     1.436914  
1 1 1 7  16 17 f 28.780  0.6491 303.893   13.693  302.985   22.685   304.414   17.175   28.710  1.0780 28.796  0.8137 -0.8630943E-01 1.350670  
1 1 1 7  16 18 o 4.1886  1.1036 6.6850    3.4356  15.030    5.7947   2.1614    4.2663   6.2734  1.3028 3.1893  1.2512 3.084111       1.806356  
1 1 1 7  16 19 o 24.685  0.5983 223.585   10.826  227.511   18.036   221.374   13.536   24.876  0.9892 24.555  0.7521 0.3212528      1.242641  
1 1 1 7  16 20 o 33.263  0.7284 406.252   17.758  394.304   28.464   413.866   22.722   32.720  1.1869 33.555  0.9239 -0.8344460     1.504055  
1 1 1 7  16 21 o 22.886  0.7540 192.373   12.649  178.966   15.938   215.187   20.791   22.058  0.9858 24.169  1.1737 -2.110807      1.532734  
1 1 1 7  16 22 o 19.423  0.8519 138.665   12.128  148.721   18.630   131.269   15.977   20.038  1.2751 18.838  1.1628 1.199825       1.725683  
1 1 1 7  16 23 o 19.475  0.5820 139.219   8.3080  138.787   11.598   139.673   11.907   19.430  0.8144 19.490  0.8335 -0.6051064E-01 1.165290  
1 1 1 7  16 24 o 21.829  0.5963 174.995   9.5409  178.073   13.478   171.903   13.508   21.999  0.8359 21.612  0.8527 0.3862705      1.194079  
1 1 1 7  16 25 o 37.057  0.8066 505.437   21.909  492.786   30.253   519.390   31.771   36.514  1.1304 37.479  1.1565 -0.9652901     1.617185  
1 1 1 7  16 26 o 22.584  0.6117 187.413   10.125  191.480   14.292   183.315   14.346   22.799  0.8553 22.305  0.8775 0.4943962      1.225338  
1 1 1 7  17 0  o 13.008  0.6242 62.446    5.9199  41.575    9.5452   75.493    7.5467   10.409  1.3069 14.296  0.7244 0.000000       0.000000  
1 1 1 7  17 1  o 80.442  1.5781 2375.82   93.049  2432.48   134.564  2323.91   128.806  81.318  2.2577 79.489  2.2108 1.829254       3.159860  
1 1 1 7  17 2  o 54.639  1.0913 1095.06   43.706  1108.27   62.451   1082.38   61.188   54.943  1.5508 54.298  1.5374 0.6446304      2.183720  
1 1 1 7  17 3  o 93.908  1.8397 3240.12   126.629 3157.30   174.690  3331.81   183.819  92.587  2.5742 95.100  2.6371 -2.512680      3.685191  
1 1 1 7  17 4  o 94.781  1.8551 3300.93   128.877 3366.60   186.039  3240.34   178.701  95.587  2.6554 93.788  2.5995 1.799095       3.715986  
1 1 1 7  17 5  o 69.871  1.3769 1791.85   70.518  1728.18   96.497   1864.83   103.305  68.570  1.9200 71.223  1.9789 -2.652992      2.757225  
1 1 1 7  17 6  o 56.722  1.4199 1181.11   59.035  1187.88   132.453  1179.43   65.947   56.602  3.2058 56.670  1.5877 -0.6802368E-01 3.577407  
1 1 1 7  17 7  o 52.061  1.0428 994.256   39.791  1000.24   56.688   988.449   55.868   52.192  1.4819 51.884  1.4691 0.3075447      2.086665  
1 1 1 7  17 8  o 85.684  1.6831 2697.99   105.705 2637.49   146.432  2763.82   152.746  84.606  2.3613 86.600  2.4064 -1.993538      3.371449  
1 1 1 7  17 9  o 66.328  1.3165 1615.34   64.003  1577.51   88.947   1655.95   92.168   65.487  1.8531 67.093  1.8742 -1.605659      2.635647  
1 1 1 7  17 10 o 67.114  1.3326 1654.19   65.555  1624.21   91.056   1686.46   94.454   66.436  1.8699 67.692  1.9037 -1.256058      2.668495  
1 1 1 7  17 11 o 40.356  0.8288 597.384   24.515  610.477   41.120   590.164   30.535   40.764  1.3763 40.101  1.0389 0.6626282      1.724353  
1 1 1 7  17 12 o 39.323  0.8138 567.248   23.455  598.189   40.470   551.598   28.782   40.344  1.3686 38.766  1.0129 1.578270       1.702676  
1 1 1 7  17 13 o 6.7135  0.8703 16.816    4.1815  17.331    5.7582   16.241    6.0822   6.7674  1.2050 6.5309  1.3161 0.2365198      1.784426  
1 1 1 7  17 14 o 18.861  0.6090 130.477   8.4198  144.471   16.876   125.839   9.7155   19.792  1.1685 18.520  0.7157 1.271696       1.370265  
1 1 1 7  17 15 o 56.864  1.3159 1190.16   54.843  1196.79   95.501   1186.91   66.991   56.771  2.2951 56.724  1.6113 0.4640961E-01  2.804233  
1 1 1 7  17 16 o 55.201  1.1109 1120.63   44.949  1118.91   73.488   1121.65   56.817   54.997  1.8230 55.169  1.4051 -0.1716576     2.301667  
1 1 1 7  17 17 o 41.014  0.8529 617.937   25.640  604.757   41.274   626.219   32.719   40.495  1.3906 41.258  1.0820 -0.7633057     1.761918  
1 1 1 7  17 18 o 15.681  0.5239 90.204    6.0214  86.314    9.7708   92.587    7.6459   15.301  0.8748 15.883  0.6568 -0.5812130     1.093947  
1 1 1 7  17 19 o 26.910  0.8288 266.076   16.348  241.778   25.106   283.961   21.541   25.564  1.3446 27.777  1.0580 -2.213699      1.710980  
1 1 1 7  17 20 o 22.862  0.5780 191.803   9.6851  200.134   16.478   187.406   11.971   23.325  0.9638 22.590  0.7230 0.7354069      1.204870  
1 1 1 7  17 21 o 15.910  0.7261 92.979    8.4678  105.114   15.599   87.908    10.083   16.829  1.2741 15.435  0.8951 1.393951       1.557038  
1 1 1 7  17 22 o 35.998  1.0019 477.282   26.435  489.423   43.418   470.131   33.322   36.304  1.6317 35.673  1.2744 0.6315536      2.070413  
1 1 1 7  17 23 o 13.478  0.5846 66.715    5.7752  61.852    7.7143   72.916    8.7108   12.939  0.8176 14.049  0.8499 -1.109725      1.179332  
1 1 1 7  17 24 o 19.449  0.5730 138.950   8.1690  141.039   11.446   136.781   11.662   19.574  0.7978 19.273  0.8256 0.3007088      1.148065  
1 1 1 7  17 25 o 32.400  0.7334 386.265   17.416  382.212   24.206   390.616   25.078   32.167  1.0267 32.512  1.0524 -0.3452415     1.470215  
1 1 1 7  18 0  o 36.348  1.0614 485.663   28.222  426.864   49.665   513.705   34.298   33.919  2.0139 37.363  1.2556 0.000000       0.000000  
1 1 1 7  18 1  o 53.305  1.0617 1042.41   41.480  1043.07   58.839   1041.76   58.486   53.293  1.5063 53.260  1.4982 0.3292465E-01  2.124507  
1 1 1 7  18 2  o 79.953  1.5760 2348.28   92.358  2394.46   133.463  2305.84   127.941  80.635  2.2582 79.138  2.2057 1.497566       3.156646  
1 1 1 7  18 3  o 24.581  0.5495 221.498   9.9002  228.384   14.628   215.678   13.449   24.956  0.7997 24.252  0.7566 0.7033844      1.100855  
1 1 1 7  18 4  o 28.778  0.6165 303.626   13.003  308.064   18.870   299.614   17.944   28.981  0.8883 28.582  0.8565 0.3994370      1.233999  
1 1 1 7  18 5  o 58.501  1.2394 1256.28   53.144  1284.17   83.129   1237.01   69.110   59.078  1.9197 58.016  1.6252 1.062374       2.515315  
1 1 1 7  18 6  o 73.238  1.8236 1973.28   97.890  1915.20   150.491  2015.87   128.881  71.953  2.8535 73.925  2.3786 -1.972099      3.714869  
1 1 1 7  18 7  o 57.991  1.1542 1234.43   49.058  1193.86   67.187   1280.77   71.799   56.986  1.6086 59.018  1.6598 -2.031933      2.311349  
1 1 1 7  18 8  o 70.008  1.3827 1800.69   70.951  1789.24   99.959   1812.32   100.724  69.698  1.9567 70.146  1.9591 -0.4476089     2.768863  
1 1 1 7  18 9  o 62.777  1.2434 1447.49   57.215  1461.36   81.759   1434.18   80.094   63.005  1.7704 62.420  1.7506 0.5855293      2.489814  
1 1 1 7  18 10 o 38.040  0.7887 530.856   21.990  509.595   30.226   554.765   32.052   37.252  1.1070 38.867  1.1251 -1.614693      1.578386  
1 1 1 7  18 11 o 15.378  0.5020 86.709    5.6581  87.410    9.0431   86.258    7.2533   15.414  0.8032 15.336  0.6453 0.7788277E-01  1.030313  
1 1 1 7  18 12 o 25.272  0.5791 234.238   10.727  225.160   17.257   239.955   13.693   24.762  0.9508 25.573  0.7305 -0.8108826     1.199049  
1 1 1 7  18 13 o 26.234  0.6003 252.456   11.543  258.197   19.502   249.359   14.321   26.509  1.0037 26.066  0.7496 0.4430313      1.252697  
1 1 1 7  18 14 o 19.995  0.8838 146.853   12.953  154.036   25.549   144.368   15.028   20.342  1.7300 19.790  1.0397 0.5522709      2.018372  
1 1 1 7  18 15 o 16.890  0.7729 104.747   9.5679  119.404   15.496   95.718    12.163   17.972  1.1830 16.101  1.0362 1.871269       1.572635  
1 1 1 7  18 16 o 4.4263  1.0605 7.4987    3.3954  5.3157    5.3987   8.9272    4.3673   4.0768  1.4440 4.8302  1.2302 -0.7534466     1.896968  
1 1 1 7  18 17 o 44.614  0.9197 731.790   30.075  740.633   50.041   726.789   37.629   44.756  1.5254 44.419  1.1558 0.3368301      1.913832  
1 1 1 7  18 18 o 17.657  0.5219 114.379   6.7546  107.523   11.108   118.402   8.5083   17.078  0.8905 17.959  0.6464 -0.8809910     1.100354  
1 1 1 7  18 19 o 33.670  0.7320 416.440   18.065  423.600   30.185   412.445   22.550   33.889  1.2152 33.486  0.9188 0.4031906      1.523440  
1 1 1 7  18 20 o 21.765  0.5702 173.867   9.0962  182.885   15.541   169.168   11.219   22.291  0.9512 21.459  0.7133 0.8322487      1.188889  
1 1 1 7  18 21 o 28.026  0.8160 288.881   16.763  299.502   36.056   285.952   18.934   28.306  1.7464 27.869  0.9269 0.4367065      1.977154  
1 1 1 7  18 22 o 11.418  0.8091 48.217    6.7270  64.645    13.536   42.830    7.7520   13.120  1.4309 10.731  0.9970 2.389128       1.743966  
1 1 1 7  18 23 o 23.280  0.6032 199.146   10.292  196.995   16.758   200.449   13.042   23.101  0.9897 23.337  0.7625 -0.2358971     1.249356  
1 1 1 7  18 24 o 30.502  0.7032 342.310   15.721  334.752   21.748   350.581   22.751   30.106  0.9856 30.804  1.0077 -0.6981735     1.409531  
1 1 1 7  19 0  o 118.499 3.3077 5194.48   286.784 5748.87   630.642  5049.94   322.005  122.711 7.0652 116.670 3.7745 0.000000       0.000000  
1 1 1 7  19 1  o 24.299  0.5459 216.470   9.7228  227.048   14.289   207.350   13.268   24.881  0.7835 23.777  0.7613 1.103256       1.092487  
1 1 1 7  19 2  o 44.433  0.8945 724.310   29.131  730.936   41.691   717.987   40.722   44.612  1.2750 44.216  1.2565 0.3955574      1.790110  
1 1 1 7  19 3  o 14.237  0.4372 74.298    4.5624  69.510    6.5664   78.767    6.3437   13.768  0.6507 14.657  0.5905 -0.8889227     0.8786896 
1 1 1 7  19 4  o 39.834  0.8110 582.055   23.679  615.485   41.049   565.384   28.988   40.927  1.3684 39.250  1.0076 1.677547       1.699364  
1 1 1 7  19 5  o 57.036  1.2119 1194.76   50.665  1234.52   80.201   1168.34   65.359   57.888  1.8902 56.359  1.5822 1.528965       2.465003  
1 1 1 7  19 6  o 51.764  1.3027 984.601   49.427  963.368   76.488   999.823   64.765   51.105  2.0420 52.115  1.6955 -1.010414      2.654145  
1 1 1 7  19 7  o 35.837  0.7414 471.113   19.475  480.628   28.209   462.448   26.920   36.179  1.0638 35.490  1.0349 0.6890182      1.484092  
1 1 1 7  19 8  f 44.848  0.9087 738.278   29.870  699.261   40.353   785.564   44.424   43.615  1.2623 46.223  1.3112 -2.607723      1.820067  
1 1 1 7  19 9  o 21.301  0.5210 166.378   8.1343  158.703   11.479   174.120   11.529   20.797  0.7530 21.785  0.7220 -0.9877663     1.043223  
1 1 1 7  19 10 f 41.270  0.8444 625.252   25.544  622.960   36.170   627.532   36.078   41.159  1.1990 41.311  1.1915 -0.1516457     1.690349  
1 1 1 7  19 11 o 40.181  1.1805 593.914   34.768  578.123   39.402   649.446   73.893   39.619  1.3569 41.698  2.4282 -2.078915      2.781589  
1 1 1 7  19 12 o 35.178  0.7403 454.286   19.089  446.427   31.057   459.058   24.200   34.823  1.2168 35.345  0.9341 -0.5218735     1.534008  
1 1 1 7  19 13 o 34.336  0.7283 432.825   18.329  429.396   30.057   434.855   23.127   34.149  1.2008 34.399  0.9172 -0.2500381     1.511068  
1 1 1 7  19 14 o 32.295  1.3868 384.956   32.828  349.626   41.429   444.565   53.813   30.637  1.8536 34.473  2.1403 -3.835413      2.831414  
1 1 1 7  19 15 o 46.528  1.0994 797.180   37.494  858.410   70.551   773.081   44.262   48.015  2.0047 45.771  1.3194 2.244274       2.399873  
1 1 1 7  19 16 o 19.211  0.5317 135.413   7.4871  143.478   12.996   131.406   9.1601   19.753  0.8976 18.919  0.6606 0.8347511      1.114472  
1 1 1 7  19 17 o 67.904  1.3558 1703.64   67.482  1729.47   111.979  1688.90   84.561   67.936  2.2488 67.448  1.7105 0.4878769      2.825438  
1 1 1 7  19 18 o 43.583  0.9021 698.807   28.816  679.116   46.157   711.385   36.889   42.829  1.4704 43.922  1.1459 -1.093231      1.864121  
1 1 1 7  19 19 o 11.398  0.5478 47.682    4.5764  52.247    7.6740   45.162    5.7012   11.883  0.8875 11.064  0.7067 0.8187590      1.134479  
1 1 1 7  19 20 o 18.006  0.5371 119.024   7.0880  121.215   11.704   117.756   8.9069   18.145  0.8800 17.901  0.6788 0.2443104      1.111440  
1 1 1 7  19 21 o 51.015  1.0467 961.145   39.137  949.019   63.447   968.593   49.724   50.365  1.7187 51.093  1.3278 -0.7277222     2.171854  
1 1 1 7  19 22 o 21.384  0.6750 168.197   10.580  183.517   15.574   155.066   14.418   22.297  0.9530 20.495  0.9598 1.802160       1.352577  
1 1 1 7  19 23 o 6.6198  0.8560 16.425    4.0563  6.7032    6.1018   24.123    5.4297   4.4433  1.5379 8.0292  0.9404 -3.585819      1.802643  
1 1 1 7  20 0  o 8.7763  0.6843 28.751    4.3405  28.446    8.1068   28.874    5.1392   8.4656  1.4287 8.7612  0.8166 0.000000       0.000000  
1 1 1 7  20 1  o 29.980  0.6368 329.649   13.994  326.384   19.688   332.982   19.895   29.820  0.9008 30.120  0.9012 -0.2998753     1.274164  
1 1 1 7  20 2  o 2.9938  0.9938 3.1109    2.5457  5.2245    3.9750   1.6412    3.3146   3.8330  1.2402 2.8059  1.1022 1.027171       1.659207  
1 1 1 7  20 3  o 37.097  0.7629 504.923   20.745  482.087   32.875   520.034   26.742   36.215  1.2385 37.635  0.9694 -1.420223      1.572798  
1 1 1 7  20 4  o 20.520  0.4997 154.395   7.5156  156.585   12.918   153.275   9.2405   20.655  0.8533 20.443  0.6167 0.2121315      1.052789  
1 1 1 7  20 5  o 29.677  0.6847 323.105   14.895  333.113   29.348   319.632   17.287   30.091  1.3306 29.512  0.7992 0.5790005      1.552172  
1 1 1 7  20 6  o 23.952  1.5179 212.219   26.510  212.219   26.510   0.0000    0.0000   23.952  1.5179 ?       ?      0.000000       1.517867  
1 1 1 7  20 7  f 48.587  0.9765 867.254   34.775  857.166   48.839   877.629   49.527   48.245  1.3811 48.817  1.3842 -0.5719452     1.955356  
1 1 1 7  20 8  o 23.298  0.5457 199.090   9.3191  204.056   13.725   194.843   12.694   23.576  0.7943 23.040  0.7517 0.5363083      1.093561  
1 1 1 7  20 9  f 19.590  0.4965 140.748   7.1288  143.668   10.553   138.296   9.6687   19.783  0.7277 19.412  0.6795 0.3713665      0.9956800 
1 1 1 7  20 10 o 41.493  0.8537 632.519   25.963  610.952   35.870   656.251   37.627   40.731  1.2015 42.212  1.2161 -1.480511      1.709557  
1 1 1 7  20 11 o 38.705  0.8000 550.268   22.696  544.652   32.046   555.919   32.148   38.463  1.1367 38.860  1.1287 -0.3970261     1.601898  
1 1 1 7  20 12 o 25.632  0.5849 241.110   10.988  238.169   15.688   243.942   15.395   25.457  0.8408 25.766  0.8152 -0.3088818     1.171083  
1 1 1 7  20 13 o 29.957  0.6564 329.494   14.412  349.157   25.043   319.758   17.623   30.786  1.1098 29.497  0.8151 1.289089       1.377015  
1 1 1 7  20 14 o 39.929  1.0431 587.121   30.528  559.482   63.932   595.284   34.744   38.571  2.2714 40.179  1.1798 -1.607979      2.559537  
1 1 1 7  20 15 o 23.877  0.6907 209.408   12.088  188.543   20.852   219.970   14.836   22.563  1.2660 24.460  0.8275 -1.897568      1.512444  
1 1 1 7  20 16 o 27.237  0.6242 272.397   12.461  278.082   21.086   269.347   15.447   27.471  1.0472 27.069  0.7786 0.4021244      1.304905  
1 1 1 7  20 17 o 12.169  0.6018 54.374    5.3674  56.508    8.2239   52.790    7.0843   12.357  0.9145 11.954  0.8134 0.4030733      1.223887  
1 1 1 7  20 18 o 29.892  0.6723 328.330   14.731  318.691   23.988   334.166   18.665   29.383  1.1138 30.134  0.8451 -0.7507782     1.398116  
1 1 1 7  20 19 o 8.1577  0.6650 24.622    3.9418  34.669    6.5525   18.924    4.9346   9.6530  0.9380 7.0984  0.9741 2.554619       1.352296  
1 1 1 7  20 20 o 17.463  0.6356 112.122   8.1357  117.756   16.495   110.312   9.3524   17.768  1.2751 17.312  0.7370 0.4553509      1.472780  
1 1 1 7  20 21 o 9.2325  0.6528 31.510    4.3888  33.303    7.0620   30.381    5.6020   9.4328  1.0386 9.0363  0.8560 0.3964806      1.345926  
1 1 1 7  20 22 o 6.3337  0.9587 15.152    4.3114  22.762    6.5583   9.3602    5.7215   7.7436  1.1939 4.9652  1.4690 2.778448       1.892972  
1 1 1 7  21 0  o 13.661  0.8697 69.289    8.6275  67.515    11.230   71.843    13.477   13.412  1.1625 13.785  1.3645 0.000000       0.000000  
1 1 1 7  21 1  o 34.537  1.0096 438.409   25.557  418.721   48.759   445.866   30.010   33.557  1.9913 34.812  1.1761 -1.255196      2.312712  
1 1 1 7  21 2  o 5.4309  0.8489 11.090    3.2687  13.553    5.4457   9.7034    4.0868   5.9537  1.2856 5.0372  1.1342 0.9164844      1.714392  
1 1 1 7  21 3  o 21.072  0.5111 162.846   7.8934  163.093   13.336   162.714   9.7929   21.072  0.8634 21.059  0.6345 0.1386642E-01  1.071484  
1 1 1 7  21 4  o 47.659  0.9567 834.789   33.420  824.778   54.276   840.903   42.414   47.260  1.5668 47.793  1.2108 -0.5324745     1.980147  
1 1 1 7  21 5  o 17.997  0.5082 118.800   6.7038  130.683   14.924   115.796   7.5035   18.816  1.0867 17.766  0.5762 1.050407       1.230032  
1 1 1 7  21 6  o 33.061  0.7992 401.467   19.366  391.300   33.270   406.677   23.817   32.567  1.3938 33.257  0.9771 -0.6903114     1.702162  
1 1 1 7  21 7  o 5.9366  0.6727 13.103    2.8753  13.727    4.6011   12.703    3.6830   6.0164  1.0832 5.8122  0.8931 0.2041392      1.403921  
1 1 1 7  21 8  o 51.772  1.0391 986.305   39.431  989.521   56.180   983.184   55.357   51.748  1.4812 51.587  1.4640 0.1610756      2.082607  
1 1 1 7  21 9  o 19.534  0.4967 139.977   7.1114  140.882   10.422   139.189   9.7276   19.586  0.7260 19.470  0.6816 0.1155777      0.9958568 
1 1 1 7  21 10 o 23.699  0.5498 206.103   9.5503  211.480   14.093   201.536   12.987   23.988  0.8015 23.421  0.7566 0.5671024      1.102192  
1 1 1 7  21 11 o 17.270  0.4911 109.429   6.2164  102.677   8.7422   116.335   8.8414   16.719  0.7134 17.798  0.6777 -1.079222      0.9840206 
1 1 1 7  21 12 o 15.154  0.4733 84.254    5.2569  91.244    8.0879   79.141    6.9174   15.760  0.7001 14.681  0.6429 1.079727       0.9505089 
1 1 1 7  21 13 o 18.288  0.5035 122.720   6.7496  122.801   11.339   122.675   8.4000   18.272  0.8466 18.278  0.6270 -0.5449295E-02 1.053519  
1 1 1 7  21 14 o 22.135  0.6303 179.938   10.227  184.675   18.155   177.736   12.377   22.376  1.1070 21.988  0.7680 0.3877506      1.347292  
1 1 1 7  21 15 o 4.5349  1.1948 7.8695    4.0267  3.0197    5.6980   12.708    5.6914   3.6961  1.4472 5.7452  1.3707 -2.049163      1.993244  
1 1 1 7  21 16 o 28.785  0.7565 304.710   15.961  294.922   28.474   309.195   19.274   28.208  1.3772 28.975  0.9076 -0.7670593     1.649363  
1 1 1 7  21 17 o 23.394  0.5745 201.014   9.8505  202.893   16.736   200.019   12.185   23.456  0.9735 23.323  0.7128 0.1328926      1.206524  
1 1 1 7  21 18 o 35.737  0.7673 470.197   20.099  449.529   31.957   483.722   25.852   34.810  1.2525 36.196  0.9744 -1.386383      1.586920  
1 1 1 7  21 19 o 20.159  0.5520 149.340   8.1557  163.072   14.319   142.746   9.9224   21.014  0.9297 19.695  0.6874 1.319265       1.156174  
1 1 1 7  21 20 o 8.4475  0.7981 26.544    4.8828  28.209    7.8837   25.508    6.2192   8.6141  1.2882 8.2334  1.0548 0.3807325      1.664963  
1 1 1 7  21 21 o 7.2115  0.7703 19.385    4.0087  22.420    6.3784   17.404    5.1537   7.6862  1.1690 6.7725  1.0741 0.9137063      1.587532  
1 1 1 7  22 0  o 4.9600  1.0875 10.229    3.4610  6.3307    6.3145   11.904    4.1380   3.4565  1.8399 5.3247  1.2170 0.000000       0.000000  
1 1 1 7  22 1  o 14.415  0.4284 76.208    4.5258  86.376    6.8690   68.407    6.0164   15.341  0.6109 13.652  0.6012 1.688335       0.8571407 
1 1 1 7  22 2  o 11.106  0.4378 45.240    3.5641  46.806    5.3252   43.970    4.7969   11.273  0.6472 10.929  0.6011 0.3441544      0.8833048 
1 1 1 7  22 3  o 20.508  0.4955 154.284   7.4488  161.384   12.895   150.729   9.1252   20.955  0.8396 20.265  0.6144 0.6899948      1.040356  
1 1 1 7  22 4  o 19.285  0.4832 136.434   6.8298  136.916   11.681   136.183   8.4187   19.301  0.8257 19.262  0.5963 0.3848648E-01  1.018523  
1 1 1 7  22 5  o 40.348  0.8838 598.659   26.137  620.025   51.387   591.202   30.357   40.868  1.7155 40.070  1.0336 0.7976952      2.002805  
1 1 1 7  22 6  o 26.271  0.6762 253.477   13.020  259.157   23.697   251.022   15.583   26.501  1.2200 26.131  0.8136 0.3692207      1.466402  
1 1 1 7  22 7  o 4.3548  0.9092 7.2379    2.8083  13.267    5.7442   5.3442    3.2192   5.8744  1.3608 3.7722  1.0979 2.102239       1.748485  
1 1 1 7  22 8  o 34.540  0.7243 438.364   18.338  432.622   25.921   444.118   25.947   34.267  1.0320 34.722  1.0195 -0.4545364     1.450701  
1 1 1 7  22 9  o 14.956  0.4611 82.059    5.0541  80.407    7.4948   83.438    6.8445   14.794  0.6912 15.074  0.6195 -0.2798548     0.9281641 
1 1 1 7  22 10 o 39.418  0.8140 571.425   23.517  570.613   33.451   572.219   33.069   39.319  1.1607 39.378  1.1458 -0.5887604E-01 1.630949  
1 1 1 7  22 11 f 22.314  0.5383 182.773   8.8045  176.163   12.501   189.279   12.402   21.888  0.7792 22.691  0.7457 -0.8033390     1.078548  
1 1 1 7  22 12 o 19.982  0.5208 146.563   7.6277  140.352   10.905   152.511   10.673   19.537  0.7616 20.370  0.7148 -0.8327293     1.044490  
1 1 1 7  22 13 o 21.833  0.6134 175.089   9.8160  182.935   17.878   171.702   11.745   22.262  1.0956 21.610  0.7415 0.6524811      1.322977  
1 1 1 7  22 14 o 9.3655  0.5857 32.341    4.0002  32.063    6.5109   32.510    5.0700   9.2757  0.9721 9.3726  0.7441 -0.9693241E-01 1.224227  
1 1 1 7  22 15 o 8.6673  0.6339 27.755    3.9993  23.440    6.7505   30.088    4.9643   7.8688  1.2091 9.0112  0.7587 -1.142422      1.427431  
1 1 1 7  22 16 f 24.230  0.9735 216.783   17.290  231.348   34.162   211.768   20.047   24.704  1.9013 23.914  1.1437 0.7900314      2.218807  
1 1 1 7  22 17 o 24.203  0.7217 215.697   12.803  232.725   21.868   206.816   15.792   25.038  1.1916 23.666  0.9104 1.371742       1.499570  
1 1 1 7  22 18 o 10.997  0.5956 44.605    4.7829  44.369    7.9110   44.741    6.0047   10.904  1.0010 10.993  0.7497 -0.8908653E-01 1.250638  
1 1 1 7  22 19 o 20.035  0.5830 147.652   8.5615  147.840   13.696   147.531   10.969   19.991  0.9347 20.004  0.7481 -0.1265717E-01 1.197223  
1 1 1 7  23 0  o 17.092  0.6426 107.632   8.0249  89.464    13.826   116.862   9.8549   15.446  1.2396 17.795  0.7587 0.000000       0.000000  
1 1 1 7  23 1  o 38.322  0.7844 539.994   22.031  529.484   30.636   551.250   31.706   37.886  1.1032 38.653  1.1191 -0.7672119     1.571470  
1 1 1 7  23 2  o 18.724  0.4741 128.637   6.5059  136.517   11.280   124.709   7.9641   19.267  0.7987 18.430  0.5896 0.8376617      0.9927706 
1 1 1 7  23 3  o 9.2672  0.5425 31.632    3.6686  29.086    5.8569   33.275    4.7062   8.8418  0.9171 9.4925  0.6809 -0.6507177     1.142249  
1 1 1 7  23 4  o 16.327  0.4570 97.805    5.4694  98.613    9.4315   97.395    6.7135   16.376  0.7858 16.288  0.5623 0.8798409E-01  0.9662638 
1 1 1 7  23 5  o 14.224  0.4893 74.251    5.1018  70.701    11.298   75.160    5.7180   13.796  1.1272 14.309  0.5452 -0.5133171     1.252148  
1 1 1 7  23 6  o 30.940  0.8260 352.178   18.731  339.688   40.250   355.631   21.162   30.107  1.8327 31.075  0.9291 -0.9678555     2.054744  
1 1 1 7  23 7  o 24.593  0.5620 222.069   10.130  201.700   15.972   235.777   13.103   23.401  0.9312 25.328  0.7058 -1.926847      1.168477  
1 1 1 7  23 8  o 16.562  0.4666 100.651   5.6640  112.498   10.540   95.842    6.7160   17.485  0.8225 16.156  0.5672 1.329060       0.9990463 
1 1 1 7  23 9  f 8.9039  0.5112 29.197    3.3219  31.235    5.4357   27.982    4.1968   9.1772  0.8166 8.7011  0.6630 0.4760714      1.051911  
1 1 1 7  23 10 o 30.619  0.6608 344.543   14.831  335.208   20.840   354.123   21.111   30.158  0.9428 30.999  0.9291 -0.8417358     1.323688  
1 1 1 7  23 11 f 7.2968  0.5970 19.688    3.1651  21.108    5.1123   18.806    4.0305   7.5081  0.9503 7.1060  0.7871 0.4021559      1.233873  
1 1 1 7  23 12 o 10.521  0.4940 40.638    3.8095  46.353    6.0688   36.923    4.8938   11.200  0.7435 9.9990  0.6716 1.200955       1.001943  
1 1 1 7  23 13 o 21.651  0.6509 172.346   10.330  150.887   19.820   180.348   12.104   20.106  1.3528 22.136  0.7460 -2.029833      1.544817  
1 1 1 7  23 14 o 17.591  0.5022 113.647   6.4756  118.265   9.6596   109.877   8.7270   17.922  0.7353 17.280  0.6890 0.6423569      1.007711  
1 1 1 7  23 15 f 15.080  0.5016 83.545    5.5439  90.276    9.4385   79.999    6.8500   15.622  0.8273 14.746  0.6338 0.8758135      1.042127  
1 1 1 7  23 16 o 4.1315  1.1024 6.5572    3.4002  2.8079    5.4468   8.9513    4.3525   3.5828  1.4112 4.8125  1.2295 -1.229726      1.871608  
1 1 1 7  23 17 o 8.3096  0.8982 25.829    5.3834  41.320    11.820   21.775    6.0470   10.354  1.6099 7.5751  1.1231 2.778811       1.962941  
1 1 1 7  23 18 f 13.365  0.5298 65.678    5.1900  63.086    8.6628   67.129    6.4821   13.026  0.9131 13.501  0.6551 -0.4741716     1.123743  
1 1 1 7  24 0  o 15.596  0.6249 89.682    7.1175  84.059    13.182   91.996    8.4560   14.962  1.2207 15.779  0.7348 0.000000       0.000000  
1 1 1 7  24 1  o 22.455  0.5168 185.114   8.5067  196.482   12.646   175.719   11.497   23.113  0.7465 21.860  0.7175 1.252275       1.035409  
1 1 1 7  24 2  o 16.582  0.4541 100.910   5.5188  91.856    8.7336   106.928   7.1206   15.802  0.7540 17.063  0.5693 -1.260887      0.9448420 
1 1 1 7  24 3  f 33.230  0.6968 405.971   16.971  413.845   28.477   401.634   21.133   33.455  1.1613 33.022  0.8731 0.4337769      1.452944  
1 1 1 7  24 4  o 32.316  0.7285 384.085   17.255  397.111   27.495   375.621   22.163   32.775  1.1445 31.919  0.9473 0.8554783      1.485731  
1 1 1 7  24 5  o 44.813  0.9724 740.727   31.940  766.113   50.726   724.050   41.112   45.362  1.5257 44.206  1.2688 1.156086       1.984334  
1 1 1 7  24 6  o 24.844  0.7795 227.153   14.194  228.957   28.307   226.547   16.405   24.736  1.5694 24.793  0.9028 -0.5654526E-01 1.810521  
1 1 1 7  24 7  o 30.123  0.6950 333.671   15.346  349.910   25.073   323.944   19.405   30.765  1.1119 29.647  0.8930 1.117790       1.426092  
1 1 1 7  24 8  o 18.039  0.5134 119.480   6.7875  119.290   11.221   119.589   8.5238   17.994  0.8507 18.037  0.6447 -0.4269981E-01 1.067460  
1 1 1 7  24 9  o 7.6026  0.5732 21.356    3.1707  16.897    6.1642   22.960    3.6974   6.6335  1.3143 7.8763  0.6461 -1.242823      1.464517  
1 1 1 7  24 10 o 8.4161  0.5588 26.138    3.4277  25.368    6.9378   26.387    3.9424   8.1903  1.1906 8.4470  0.6416 -0.2566900     1.352415  
1 1 1 7  24 11 o 24.782  0.5716 225.714   10.383  220.922   14.869   230.274   14.504   24.479  0.8287 24.998  0.7916 -0.5192795     1.146027  
1 1 1 7  24 12 o 14.688  0.4803 79.245    5.1709  68.605    7.3974   89.411    7.2310   13.625  0.7435 15.589  0.6328 -1.963784      0.9763887 
1 1 1 7  24 13 o 4.2020  1.1705 6.7577    3.7389  12.372    6.6176   4.1251    4.5315   5.6477  1.5511 3.6405  1.3189 2.007211       2.036081  
1 1 1 7  24 14 o 7.1348  0.6553 18.905    3.3884  16.269    5.0801   21.017    4.5478   6.5312  1.1003 7.4959  0.8423 -0.9647651     1.385713  
1 1 1 7  24 15 o 11.392  0.5229 47.727    4.3663  48.683    7.4016   47.217    5.4073   11.436  0.8901 11.302  0.6556 0.1338921      1.105437  
1 1 1 7  24 16 o 19.891  0.5383 145.534   7.8475  153.284   13.474   141.555   9.6538   20.346  0.9035 19.597  0.6721 0.7486343      1.126084  
1 1 1 7  25 0  o 29.383  0.8954 318.289   19.243  318.920   37.934   318.071   22.328   29.154  1.7907 29.342  1.0412 0.000000       0.000000  
1 1 1 7  25 1  o 30.041  0.6427 331.817   14.152  327.959   23.084   334.140   17.913   29.782  1.0575 30.116  0.8115 -0.3342400     1.332982  
1 1 1 7  25 2  o 32.259  0.7274 383.003   17.199  365.591   25.408   397.729   23.366   31.430  1.1029 32.819  0.9714 -1.388214      1.469692  
1 1 1 7  25 3  f 20.796  0.6310 159.005   9.6181  157.908   12.747   160.457   14.657   20.698  0.8402 20.846  0.9593 -0.1481647     1.275200  
1 1 1 7  25 4  o 20.814  0.5845 159.219   8.9172  170.845   13.740   150.758   11.721   21.523  0.8710 20.229  0.7905 1.293539       1.176218  
1 1 1 7  25 5  o 10.856  0.5528 43.419    4.3841  46.399    7.0106   41.505    5.6181   11.183  0.8619 10.593  0.7280 0.5903883      1.128220  
1 1 1 7  25 6  o 30.029  0.9061 332.884   19.944  329.029   39.190   334.231   23.169   29.479  1.8227 30.052  1.0519 -0.5725231     2.104435  
1 1 1 7  25 7  o 9.3532  0.5484 32.260    3.7431  34.469    6.6659   31.242    4.5236   9.6108  0.9591 9.1890  0.6764 0.4218044      1.173605  
1 1 1 7  25 8  o 14.111  0.5279 73.173    5.4602  73.559    8.5946   72.912    7.0705   14.095  0.8357 14.072  0.6855 0.2224064E-01  1.080840  
1 1 1 7  25 9  o 13.385  0.5527 65.878    5.4221  60.698    8.0231   70.232    7.3561   12.790  0.8608 13.785  0.7307 -0.9944363     1.129113  
1 1 1 7  25 10 o 15.531  0.6214 88.799    7.0738  89.987    9.8002   87.507    10.221   15.580  0.8615 15.352  0.9124 0.2275839      1.254869  
1 1 1 7  25 11 o 4.4392  1.0019 7.5967    3.1827  18.633    6.7747   4.4711    3.6053   6.9335  1.3816 3.5540  1.1828 3.379428       1.818759  
1 1 1 7  25 12 o 10.861  0.4956 43.371    3.9453  46.415    6.3080   41.415    5.0565   11.184  0.7743 10.581  0.6552 0.6031790      1.014296  
1 1 1 7  25 13 o 15.550  0.5842 89.032    6.6587  90.135    10.524   88.296    8.5989   15.564  0.9267 15.460  0.7588 0.1033220      1.197757  
1 1 1 7  25 14 o 7.9035  0.5919 23.131    3.4039  22.749    5.2847   23.402    4.4498   7.7751  0.9469 7.9208  0.7765 -0.1456609     1.224525  
1 1 1 7  26 0  o 6.2722  1.0735 15.701    4.5011  0.0000    0.0000   15.701    4.5011   6.2722  1.0735 6.2722  1.0735 0.000000       0.000000  
1 1 1 7  26 1  o 18.572  0.5046 126.764   6.8689  132.115   10.889   123.229   8.8524   18.922  0.7851 18.293  0.6602 0.6293373      1.025823  
1 1 1 7  26 2  o 9.3707  0.6141 32.453    4.1943  33.956    5.5569   30.462    6.3941   9.5587  0.8005 9.0167  0.9834 0.5420446      1.268065  
1 1 1 7  26 3  o 8.6312  0.5483 27.505    3.4506  28.828    5.3511   26.564    4.5146   8.7944  0.8404 8.4560  0.7357 0.3383608      1.116925  
1 1 1 7  26 4  o 16.984  0.4619 105.984   5.7499  104.595   9.9853   106.673   7.0329   16.829  0.8095 17.029  0.5635 -0.2002945     0.9863265 
1 1 1 7  26 5  o 18.271  0.4747 122.679   6.3570  116.347   10.711   126.123   7.8986   17.744  0.8236 18.513  0.5821 -0.7689190     1.008523  
1 1 1 7  26 6  o 12.624  0.5358 58.617    4.9574  0.0000    0.0000   58.617    4.9574   ?       ?      12.624  0.5358 0.000000       0.5357797 
1 1 1 7  26 7  o 24.968  0.5652 229.446   10.344  239.203   18.265   224.839   12.550   25.385  0.9816 24.690  0.6935 0.6952248      1.201905  
1 1 1 7  26 8  o 5.1019  0.7892 9.8420    2.8558  16.204    5.9097   7.9036    3.2620   6.4663  1.2921 4.5251  1.0092 1.941252       1.639492  
1 1 1 7  26 9  o 11.491  0.4608 48.539    3.8812  52.019    7.6345   47.326    4.5071   11.814  0.8881 11.340  0.5423 0.4747200      1.040594  
1 1 1 7  26 10 o 12.900  0.4607 61.187    4.3563  62.629    8.4585   60.666    5.0821   12.964  0.8956 12.838  0.5401 0.1266022      1.045886  
1 1 1 7  26 11 o 11.106  0.5100 45.380    4.1516  54.029    8.1055   42.304    4.8337   12.028  0.9265 10.695  0.6193 1.333576       1.114414  
1 1 1 7  26 12 o 12.063  0.6100 53.764    5.3762  55.659    8.7000   52.593    6.8380   12.197  0.9815 11.898  0.7886 0.2990694      1.259037  
1 1 1 7  27 0  o 15.232  0.7406 85.986    8.2237  0.0000    0.0000   85.986    8.2237   15.232  0.7406 15.232  0.7406 0.000000       0.000000  
1 1 1 7  27 1  o 15.591  0.5267 89.465    6.0183  101.750   9.0784   79.833    8.0386   16.591  0.7466 14.676  0.7498 1.914215       1.058070  
1 1 1 7  27 2  o 12.428  0.4367 56.778    3.9785  63.743    7.1460   53.650    4.7895   13.110  0.7467 12.072  0.5413 1.038855       0.9222973 
1 1 1 7  27 3  o 4.0533  0.8993 6.3325    2.6019  5.7978    4.4486   6.6106    3.2077   3.9968  1.3131 4.1326  1.0553 -0.1358562     1.684602  
1 1 1 7  27 4  o 20.217  0.4879 150.365   7.2298  149.849   12.473   150.626   8.8723   20.105  0.8464 20.215  0.5988 -0.1098557     1.036808  
1 1 1 7  27 5  o 5.6727  0.7794 12.127    3.1549  15.112    5.5488   10.701    3.8351   6.2356  1.2575 5.2710  1.0296 0.9646111      1.625217  
1 1 1 7  27 6  o 23.125  0.6914 197.569   11.719  179.169   19.387   208.163   14.711   21.808  1.2177 23.690  0.8472 -1.881721      1.483444  
1 1 1 7  27 7  o 13.173  0.8517 64.637    8.1794  64.637    8.1794   0.0000    0.0000   13.173  0.8517 ?       ?      0.000000       0.8516780 
1 1 1 7  27 8  o 13.729  0.5856 69.478    5.8928  72.588    8.6686   66.807    8.0347   13.964  0.8510 13.401  0.8219 0.5625782      1.183134  
1 1 1 7  28 0  o 4.3559  1.7163 9.7414    5.2630  0.0000    0.0000   9.7414    5.2630   4.3559  1.7163 4.3559  1.7163 0.000000       0.000000  
1 1 1 7  28 1  o 3.4236  1.0034 4.4561    2.6807  6.7909    4.2682   2.9351    3.4449   4.2189  1.2735 3.1154  1.1467 1.103547       1.713716  
1 1 1 7  28 2  o 23.774  0.5735 208.412   9.9942  226.131   16.705   198.533   12.473   24.645  0.9248 23.159  0.7348 1.485838       1.181149  
1 1 1 8  0  0  o 105.750 4.1540 4118.64   320.851 4329.46   475.868  3942.91   434.458  108.149 6.0464 103.209 5.7847 0.000000       0.000000  
1 1 1 8  0  1  o 282.780 11.164 29581.68  2305.69 29581.68  2305.69  0.0000    0.0000   282.780 11.164 282.780 11.164 0.000000       0.000000  
1 1 1 8  0  2  o 83.891  2.3470 2585.80   144.062 2561.88   203.505  2609.83   203.964  83.391  3.3417 84.175  3.3176 0.000000       0.000000  
1 1 1 8  0  3  o 62.823  1.7556 1449.96   80.696  1427.49   112.470  1473.80   115.847  62.256  2.4736 63.259  2.5075 0.000000       0.000000  
1 1 1 8  0  4  o 114.951 3.1994 4855.94   269.089 4520.98   355.157  5307.36   412.303  110.763 4.3903 120.009 4.7037 0.000000       0.000000  
1 1 1 8  0  5  f 83.989  2.3526 2591.92   144.568 2897.37   225.852  2379.91   188.167  88.686  3.4867 80.375  3.2056 0.000000       0.000000  
1 1 1 8  0  6  o 105.167 3.3705 4068.18   259.202 3932.56   433.378  4143.72   323.427  103.018 5.7811 106.040 4.1760 0.000000       0.000000  
1 1 1 8  0  7  o 105.079 4.1313 4069.36   317.068 3967.57   437.035  4182.47   460.703  103.461 5.8049 106.220 5.9604 0.000000       0.000000  
1 1 1 8  0  8  o 13.595  0.8860 68.596    8.7428  0.0000    0.0000   68.596    8.7428   13.595  0.8860 13.595  0.8860 0.000000       0.000000  
1 1 1 8  0  9  o 128.562 3.5627 6077.51   335.130 5560.80   612.769  6298.02   400.303  122.368 6.8817 130.797 4.1852 0.000000       0.000000  
1 1 1 8  0  10 o 122.351 3.9139 5511.33   350.180 5471.40   601.771  5531.77   430.594  121.339 6.8155 122.435 4.8152 0.000000       0.000000  
1 1 1 8  0  11 o 298.640 8.3076 33031.46  1815.28 30338.30  3331.59  34168.61  2164.85  281.966 16.244 303.146 9.7660 0.000000       0.000000  
1 1 1 8  0  12 o 152.453 4.2175 8558.14   470.457 8744.06   679.320  8386.78   652.165  153.725 6.0504 150.565 5.9304 0.000000       0.000000  
1 1 1 8  0  13 o 67.486  1.9050 1674.01   94.060  1753.72   138.444  1605.68   128.188  68.972  2.7485 65.995  2.6599 0.000000       0.000000  
1 1 1 8  0  14 o 328.644 9.2318 40249.46  2219.83 42518.68  3312.11  38398.91  2991.01  334.643 13.554 318.500 12.860 0.000000       0.000000  
1 1 1 8  0  15 o 203.158 5.6292 15245.92  836.768 15375.36  1193.23  15120.66  1173.75  203.192 8.0405 201.520 7.9749 0.000000       0.000000  
1 1 1 8  0  16 o 54.136  1.5556 1077.19   61.610  1079.36   86.312   1074.93   87.971   54.114  2.1842 53.996  2.2315 0.000000       0.000000  
1 1 1 8  0  17 o 62.868  2.5214 1457.27   115.762 1449.92   162.195  1464.90   165.271  62.520  3.5660 62.834  3.6160 0.000000       0.000000  
1 1 1 8  0  18 o 78.647  3.1415 2282.53   180.434 2108.28   235.181  2531.85   281.318  75.333  4.2911 82.526  4.6853 0.000000       0.000000  
1 1 1 8  0  19 o 20.723  0.8040 158.111   12.171  158.061   16.535   158.170   17.980   20.678  1.0980 20.668  1.1960 0.000000       0.000000  
1 1 1 8  0  20 o 67.696  1.9197 1685.38   95.080  1642.30   131.102  1733.18   138.096  66.708  2.6913 68.526  2.7596 0.000000       0.000000  
1 1 1 8  0  21 o 128.885 3.5970 6131.29   339.198 6668.14   518.583  5729.88   448.426  133.880 5.3036 124.185 4.9444 0.000000       0.000000  
1 1 1 8  0  22 o 55.924  1.6005 1150.38   65.484  1121.86   89.929   1182.57   95.544   55.127  2.2340 56.592  2.3122 0.000000       0.000000  
1 1 1 8  0  23 o 21.536  0.8297 170.801   13.053  176.810   18.377   164.682   18.544   21.865  1.1540 21.085  1.2090 0.000000       0.000000  
1 1 1 8  0  24 o 43.270  1.3044 688.982   41.285  689.172   58.548   688.794   58.226   43.184  1.8575 43.174  1.8477 0.000000       0.000000  
1 1 1 8  0  25 o 63.904  1.8233 1505.27   85.245  1422.33   113.688  1611.79   128.837  61.951  2.5131 65.920  2.6765 0.000000       0.000000  
1 1 1 8  0  26 o 55.063  1.5992 1117.11   64.418  1076.67   87.898   1164.03   94.681   53.917  2.2329 56.051  2.3136 0.000000       0.000000  
1 1 1 8  0  27 f 18.648  0.8426 128.329   11.463  117.647   14.946   143.592   17.865   17.791  1.1574 19.657  1.2516 0.000000       0.000000  
1 1 1 8  0  28 o 80.893  2.3089 2421.50   136.645 2458.08   193.778  2385.31   192.717  81.111  3.2715 79.880  3.3044 0.000000       0.000000  
1 1 1 8  0  29 o 73.366  2.0901 1991.96   112.186 1926.81   152.994  2067.74   164.995  71.821  2.9173 74.354  3.0390 0.000000       0.000000  
1 1 1 8  0  30 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 8  0  31 o 20.563  0.8779 156.080   13.177  165.580   18.424   146.130   18.854   21.120  1.1990 19.801  1.3123 0.000000       0.000000  
1 1 1 8  1  0  o 178.871 5.7117 11776.06  747.105 11101.23  1220.27  12180.68  944.902  172.926 9.6973 181.717 7.1191 0.000000       0.000000  
1 1 1 8  1  1  o 191.792 3.7598 13495.43  528.536 13239.15  732.521  13773.73  763.358  189.862 5.2638 193.648 5.3782 -3.786133      7.525452  
1 1 1 8  1  2  o 38.780  0.7909 551.175   22.480  510.278   29.630   606.638   34.506   37.313  1.0834 40.683  1.1572 -3.370537      1.585189  
1 1 1 8  1  3  o 158.695 3.3127 9237.81   385.321 9061.69   501.209  9492.34   602.527  157.124 4.3521 160.767 5.1133 -3.642960      6.714609  
1 1 1 8  1  4  o 106.791 2.2510 4181.27   176.192 3776.63   242.321  4635.17   256.642  101.468 3.2582 112.415 3.1147 -10.94763      4.507510  
1 1 1 8  1  5  o 367.901 7.6911 49877.39  2073.95 48771.96  2678.87  51531.16  3276.60  363.091 10.066 372.485 12.001 -9.394287      15.66393  
1 1 1 8  1  6  o 196.148 3.8223 14121.60  549.526 13853.82  763.790  14408.98  791.229  194.135 5.3677 197.977 5.4526 -3.842041      7.651378  
1 1 1 8  1  7  o 117.386 3.2417 5056.35   278.910 5383.39   418.365  4794.72   374.197  121.036 4.7158 114.243 4.4688 6.793480       6.496853  
1 1 1 8  1  8  o 105.745 2.9234 4102.98   226.586 3919.04   306.528  4324.57   336.440  103.290 4.0488 108.491 4.2309 -5.200851      5.856091  
1 1 1 8  1  9  o 122.229 2.4111 5480.58   216.006 5410.42   298.973  5557.19   312.429  121.388 3.3603 123.017 3.4650 -1.628006      4.826783  
1 1 1 8  1  10 o 117.438 2.3016 5059.82   198.119 4719.13   261.087  5522.29   304.192  113.363 3.1422 122.611 3.3848 -9.248207      4.618509  
1 1 1 8  1  11 o 89.520  1.7612 2939.10   115.558 2719.17   174.875  3109.58   153.964  86.057  2.7724 92.056  2.2818 -5.998650      3.590707  
1 1 1 8  1  12 o 124.197 2.6000 5663.58   236.685 5789.01   320.326  5512.77   351.254  125.471 3.4831 122.386 3.9157 3.084732       5.240695  
1 1 1 8  1  13 o 200.054 3.9119 14738.16  573.606 14796.63  813.311  14680.28  809.106  199.964 5.5491 199.178 5.5422 0.7853241      7.842762  
1 1 1 8  1  14 o 46.374  0.9416 788.378   32.004  774.829   44.545   802.834   46.012   45.967  1.3221 46.790  1.3417 -0.8228989     1.883614  
1 1 1 8  1  15 o 59.986  1.2012 1319.38   52.815  1368.44   76.996   1275.79   72.584   61.074  1.7200 58.972  1.6793 2.102379       2.403810  
1 1 1 8  1  16 o 217.916 4.2733 17521.65  682.541 17879.79  981.206  17185.88  950.063  219.363 6.1026 215.100 6.0260 4.262131       8.576418  
1 1 1 8  1  17 o 77.493  1.7723 2203.54   100.665 2125.28   137.581  2293.70   147.680  76.061  2.4678 79.011  2.5501 -2.949913      3.548681  
1 1 1 8  1  18 f 153.065 3.4921 8632.55   391.778 8986.09   572.521  8321.20   537.272  155.724 5.0160 149.893 4.8902 5.831039       7.005310  
1 1 1 8  1  19 o 85.213  1.6907 2664.87   105.598 2696.19   150.045  2634.13   148.640  85.652  2.3900 84.660  2.3954 0.9919586      3.383805  
1 1 1 8  1  20 o 70.634  1.4143 1830.67   73.222  1693.26   95.833   2023.40   113.498  67.897  1.9257 74.206  2.0867 -6.309830      2.839493  
1 1 1 8  1  21 o 63.373  1.2730 1473.63   59.130  1619.03   91.164   1368.04   77.687   66.379  1.8738 61.028  1.7367 5.350487       2.554850  
1 1 1 8  1  22 o 16.755  0.5576 102.912   6.8480  110.829   9.9333   95.741    9.4536   17.385  0.7795 16.158  0.7982 1.226889       1.115733  
1 1 1 8  1  23 o 69.348  1.3861 1766.84   70.456  1703.51   96.243   1839.97   103.422  68.014  1.9306 70.674  1.9965 -2.659843      2.777296  
1 1 1 8  1  24 o 40.671  0.9903 607.215   29.521  663.619   45.001   564.605   39.113   42.479  1.4453 39.190  1.3617 3.289234       1.985729  
1 1 1 8  1  25 o 27.923  0.7717 286.083   15.793  251.525   20.517   336.327   24.740   26.167  1.0698 30.256  1.1156 -4.088266      1.545609  
1 1 1 8  1  26 o 10.679  0.6734 42.004    5.2438  36.285    7.2899   48.136    7.5485   9.8867  1.0207 11.414  0.9098 -1.527444      1.367320  
1 1 1 8  1  27 o 73.964  1.4881 2015.84   80.673  2103.91   118.906  1940.73   109.812  75.340  2.1533 72.390  2.0696 2.949554       2.986631  
1 1 1 8  1  28 o 17.543  0.6035 112.898   7.7600  110.334   10.715   115.727   11.254   17.334  0.8433 17.752  0.8649 -0.4177265     1.208014  
1 1 1 8  1  29 o 27.595  0.6772 279.503   13.697  265.669   18.583   295.962   20.269   26.883  0.9431 28.372  0.9747 -1.488424      1.356218  
1 1 1 8  1  30 o 38.326  1.3896 542.699   39.035  513.773   64.505   559.413   49.033   36.927  2.3962 38.828  1.7229 -1.901188      2.951272  
1 1 1 8  1  31 o 28.855  0.7436 305.916   15.727  291.552   20.216   327.935   25.030   28.143  0.9800 29.824  1.1450 -1.680502      1.507178  
1 1 1 8  2  0  o 49.440  1.9794 900.240   71.468  857.968   96.486   951.624   106.379  48.143  2.7550 50.705  2.8837 0.000000       0.000000  
1 1 1 8  2  1  o 173.316 3.4054 11018.76  432.601 11533.88  639.843  10585.03  587.130  177.232 4.9255 169.799 4.7176 7.432983       6.820283  
1 1 1 8  2  2  o 87.432  1.7255 2802.21   110.575 2989.38   167.276  2656.96   147.363  90.293  2.5276 85.127  2.3618 5.165428       3.459275  
1 1 1 8  2  3  o 185.779 3.6409 12662.81  495.783 12437.05  691.953  12900.98  710.708  184.014 5.1303 187.412 5.1739 -3.397171      7.286211  
1 1 1 8  2  4  o 301.579 6.3608 33451.93  1406.04 30786.60  1704.24  39132.92  2488.10  289.003 8.0454 325.193 10.439 -36.18951      13.17933  
1 1 1 8  2  5  o 183.507 3.5843 12356.61  482.095 12441.55  613.921  12219.97  778.636  184.066 4.5505 182.302 5.8272 1.764191       7.393497  
1 1 1 8  2  6  o 172.615 3.8953 10937.90  492.834 11583.95  910.752  10670.39  586.051  177.309 7.0079 170.427 4.6916 6.881592       8.433367  
1 1 1 8  2  7  o 63.548  2.5046 1481.15   116.661 1429.01   158.978  1541.98   171.725  62.298  3.4957 64.709  3.6354 -2.411282      5.043426  
1 1 1 8  2  8  o 38.156  1.5775 533.754   44.117  533.754   44.117   0.0000    0.0000   38.156  1.5775 ?       ?      0.000000       1.577477  
1 1 1 8  2  9  o 96.717  2.0471 3430.63   145.115 3808.25   211.512  3094.80   199.464  101.866 2.8328 91.824  2.9637 10.04266       4.099797  
1 1 1 8  2  10 o 189.941 3.7119 13260.29  516.770 13457.70  742.341  13074.67  719.825  191.061 5.3009 188.340 5.2144 2.720535       7.435681  
1 1 1 8  2  11 o 65.093  1.2920 1553.49   61.643  1495.01   97.185   1592.86   79.736   63.835  2.0771 65.904  1.6507 -2.069153      2.653116  
1 1 1 8  2  12 o 102.912 2.0188 3885.92   152.278 3918.30   217.245  3854.65   213.510  103.279 2.8698 102.439 2.8436 0.8400040      4.040075  
1 1 1 8  2  13 o 54.879  1.0979 1104.18   44.164  1125.30   63.440   1084.32   61.520   55.391  1.5626 54.373  1.5437 1.017487       2.196481  
1 1 1 8  2  14 o 132.469 2.6012 6446.12   252.561 6153.95   342.493  6794.37   373.924  129.292 3.6141 135.829 3.7559 -6.536652      5.212314  
1 1 1 8  2  15 o 95.191  1.8746 3325.01   130.790 3284.58   182.161  3368.03   187.903  94.552  2.6285 95.741  2.6777 -1.189117      3.752156  
1 1 1 8  2  16 o 86.763  1.7098 2761.80   108.731 2664.47   148.480  2874.36   159.666  85.176  2.3783 88.461  2.4625 -3.284363      3.423509  
1 1 1 8  2  17 o 116.209 2.6267 4962.81   223.732 4803.12   306.206  5145.70   327.697  114.175 3.6590 118.155 3.7839 -3.979729      5.263649  
1 1 1 8  2  18 o 141.449 3.5063 7372.79   363.520 7310.27   569.884  7415.69   472.022  140.274 5.5428 141.596 4.5481 -1.321594      7.169922  
1 1 1 8  2  19 o 60.936  1.2197 1361.82   54.476  1446.33   81.366   1293.16   73.339   62.772  1.7685 59.359  1.6856 3.412701       2.443135  
1 1 1 8  2  20 o 89.525  1.7740 2943.00   116.407 2875.09   161.456  3016.51   167.987  88.401  2.4918 90.544  2.5313 -2.142448      3.551959  
1 1 1 8  2  21 o 62.076  1.2439 1413.86   56.596  1414.85   80.173   1412.88   79.905   62.060  1.7625 62.018  1.7578 0.4278946E-01  2.489267  
1 1 1 8  2  22 o 16.687  0.5591 102.079   6.8383  98.753    9.4729   105.698   9.8815   16.410  0.7876 16.977  0.7941 -0.5671196     1.118419  
1 1 1 8  2  23 o 48.380  0.9961 858.936   35.321  811.747   47.341   918.189   53.048   47.004  1.3741 49.984  1.4480 -2.979946      1.996181  
1 1 1 8  2  24 o 12.479  0.8639 57.411    7.8526  77.455    11.335   38.917    10.889   14.484  1.0754 10.177  1.5052 4.307100       1.849913  
1 1 1 8  2  25 o 32.113  0.8374 378.472   19.709  377.897   28.086   379.030   27.665   32.064  1.1950 32.114  1.1753 -0.4960251E-01 1.676158  
1 1 1 8  2  26 o 18.042  0.5813 119.386   7.6872  119.105   10.766   119.678   10.980   18.014  0.8154 18.057  0.8296 -0.4278564E-01 1.163212  
1 1 1 8  2  27 o 34.190  0.8101 429.094   20.300  438.041   27.483   418.351   30.114   34.522  1.0861 33.724  1.2183 0.7975883      1.632157  
1 1 1 8  2  28 o 20.446  0.7781 153.468   11.661  170.173   19.806   144.606   14.426   21.463  1.2646 19.811  0.9966 1.651962       1.610099  
1 1 1 8  2  29 o 41.279  0.8801 626.161   26.629  667.921   39.836   592.427   35.805   42.570  1.2767 40.102  1.2181 2.467674       1.764621  
1 1 1 8  2  30 o 26.341  0.7535 254.906   14.548  253.529   20.622   256.270   20.527   26.238  1.0723 26.380  1.0616 -0.1426945     1.508937  
1 1 1 8  2  31 o 9.4682  0.7715 33.160    5.3074  39.337    7.9117   28.106    7.1566   10.279  1.0656 8.6556  1.1570 1.623727       1.572930  
1 1 1 8  3  0  f 141.271 3.9373 7335.75   406.979 6615.47   516.849  8511.12   660.236  133.966 5.2823 151.934 5.9495 0.000000       0.000000  
1 1 1 8  3  1  o 26.436  0.5689 256.120   11.023  274.193   16.481   241.494   14.827   27.352  0.8221 25.669  0.7880 1.682642       1.138799  
1 1 1 8  3  2  o 152.351 2.9766 8512.78   332.391 8185.65   450.462  8903.81   492.488  149.343 4.1152 155.745 4.3142 -6.402237      5.962164  
1 1 1 8  3  3  o 122.423 2.4091 5495.46   216.173 5716.34   318.816  5307.49   294.107  124.824 3.4847 120.282 3.3360 4.541267       4.824066  
1 1 1 8  3  4  o 216.584 4.2548 17220.95  675.437 17690.01  989.563  16811.80  924.207  219.305 6.1562 213.825 5.8970 5.480927       8.524871  
1 1 1 8  3  5  o 243.502 4.7400 21781.38  845.982 21870.99  1075.42  21635.88  1370.25  243.826 6.0175 242.214 7.7183 1.611862       9.786839  
1 1 1 8  3  6  o 204.857 4.6236 15419.16  694.247 16097.82  1258.69  15122.42  832.298  208.742 8.2268 202.756 5.6005 5.986053       9.952125  
1 1 1 8  3  7  f 219.890 8.6152 17901.42  1388.52 18475.28  2024.55  17391.77  1907.95  221.818 12.503 215.345 12.137 6.472931       17.42555  
1 1 1 8  3  8  o 146.622 4.0509 7899.24   435.339 7638.42   485.692  8965.07   981.839  144.126 4.5977 155.243 8.6633 -11.11674      9.807693  
1 1 1 8  3  9  o 97.963  2.2227 3520.28   159.598 3350.08   215.927  3725.23   236.945  95.524  3.0840 100.723 3.2095 -5.199028      4.451075  
1 1 1 8  3  10 o 189.709 3.7322 13231.14  518.960 12639.08  704.271  13934.58  767.661  185.144 5.1898 194.355 5.3888 -9.211029      7.481515  
1 1 1 8  3  11 o 147.471 2.8749 7987.72   310.749 7840.51   498.222  8081.45   397.555  145.844 4.6607 148.232 3.6591 -2.388474      5.925489  
1 1 1 8  3  12 o 125.528 2.4513 5785.14   225.537 5589.58   355.764  5916.54   291.627  123.214 3.9393 126.874 3.1360 -3.659760      5.035145  
1 1 1 8  3  13 o 97.235  1.9111 3469.21   136.207 3356.25   186.269  3599.02   199.680  95.584  2.6587 98.973  2.7526 -3.388252      3.826932  
1 1 1 8  3  14 f 137.613 2.7039 6958.23   272.732 6552.40   362.904  7484.90   413.416  133.387 3.7119 142.516 3.9577 -9.128372      5.426019  
1 1 1 8  3  15 f 65.063  1.3020 1552.36   62.089  1498.96   84.860   1613.88   91.085   63.916  1.8114 66.318  1.8739 -2.401875      2.606235  
1 1 1 8  3  16 o 142.365 2.7900 7449.88   291.127 7193.77   396.346  7749.96   429.024  139.705 3.8706 144.968 4.0376 -5.263641      5.593246  
1 1 1 8  3  17 o 63.691  1.7896 1488.60   83.546  1473.78   116.603  1504.25   119.764  63.332  2.5119 63.981  2.5539 -0.6485558     3.582153  
1 1 1 8  3  18 o 49.825  1.2906 910.485   47.133  895.000   73.372   921.365   61.500   49.372  2.0275 50.109  1.6745 -0.7368698     2.629608  
1 1 1 8  3  19 o 107.930 2.1207 4279.20   167.764 4207.65   233.797  4355.15   240.871  106.900 2.9839 108.751 3.0218 -1.851059      4.246762  
1 1 1 8  3  20 o 111.990 2.1976 4610.91   180.385 4552.47   251.943  4672.38   258.384  111.105 3.0938 112.550 3.1321 -1.444962      4.402444  
1 1 1 8  3  21 f 41.820  0.8736 641.334   26.779  636.963   37.672   645.798   38.072   41.665  1.2336 41.952  1.2381 -0.2877808     1.747786  
1 1 1 8  3  22 o 31.812  0.7112 371.086   16.582  407.832   25.244   343.198   21.992   33.340  1.0330 30.586  0.9810 2.754093       1.424601  
1 1 1 8  3  23 o 24.088  0.6471 212.771   11.425  206.248   14.857   222.209   17.872   23.711  0.8549 24.607  0.9909 -0.8960018     1.308693  
1 1 1 8  3  24 o 32.775  2.1505 398.517   51.375  0.0000    0.0000   398.517   51.375   ?       ?      32.775  2.1505 0.000000       2.150524  
1 1 1 8  3  25 o 29.185  0.9552 312.768   20.434  326.061   30.502   301.944   27.524   29.766  1.3980 28.652  1.3106 1.114777       1.916327  
1 1 1 8  3  26 o 58.027  1.1781 1237.94   50.107  1304.94   74.163   1181.68   67.965   59.474  1.7013 56.609  1.6380 2.864910       2.361674  
1 1 1 8  3  27 o 59.547  1.3018 1305.08   56.817  1247.27   72.102   1399.77   92.283   58.127  1.6924 61.474  2.0481 -3.347626      2.656822  
1 1 1 8  3  28 o 38.088  0.8295 532.703   23.157  519.767   31.954   547.012   33.607   37.587  1.1599 38.555  1.1892 -0.9686699     1.661210  
1 1 1 8  3  29 o 17.866  0.5953 117.131   7.7953  103.922   10.476   133.519   11.669   16.796  0.8538 19.063  0.8351 -2.267586      1.194313  
1 1 1 8  3  30 o 40.082  0.8661 590.714   25.446  640.906   38.462   551.645   33.934   41.675  1.2591 38.677  1.1970 2.998089       1.737314  
1 1 1 8  3  31 o 28.900  0.6883 306.762   14.580  305.951   20.535   307.587   20.704   28.831  0.9718 28.907  0.9772 -0.7627487E-01 1.378111  
1 1 1 8  4  0  o 110.924 3.0723 4521.48   249.349 4398.11   343.760  4658.47   362.230  109.249 4.3082 112.437 4.4108 0.000000       0.000000  
1 1 1 8  4  1  o 349.186 7.3561 44907.24  1882.72 41699.18  2674.87  48056.97  2650.44  335.501 10.877 360.460 10.032 -24.95895      14.79720  
1 1 1 8  4  2  f 24.839  0.5432 226.115   9.8897  220.434   13.663   232.367   14.334   24.525  0.7601 25.180  0.7767 -0.6550541     1.086693  
1 1 1 8  4  3  o 134.585 2.6214 6642.60   258.591 6612.45   363.608  6673.46   367.836  134.234 3.6957 134.850 3.7215 -0.6165771     5.244770  
1 1 1 8  4  4  o 176.495 3.4593 11430.62  447.510 10929.98  605.390  12033.75  664.479  172.485 4.7885 180.964 5.0097 -8.478821      6.930140  
1 1 1 8  4  5  o 284.943 5.5878 29865.52  1167.03 30975.24  1520.78  28275.92  1820.13  289.847 7.1584 276.451 8.9826 13.39554       11.48607  
1 1 1 8  4  6  o 55.068  1.2634 1111.58   50.996  1213.94   96.242   1071.63   60.131   57.534  2.2822 54.067  1.5174 3.466885       2.740625  
1 1 1 8  4  7  o 96.804  2.4055 3437.31   170.681 3330.75   214.009  3623.56   282.928  95.265  3.0649 99.321  3.8865 -4.055786      4.949576  
1 1 1 8  4  8  o 311.672 7.0496 35913.38  1610.43 36172.73  1987.39  35417.45  2748.27  312.088 8.6881 306.836 12.220 5.251923       14.99373  
1 1 1 8  4  9  o 91.946  2.0856 3101.10   140.557 2936.67   188.234  3308.35   211.320  89.439  2.8714 94.921  3.0374 -5.481659      4.179770  
1 1 1 8  4  10 o 275.728 5.4328 28065.64  1097.95 26591.27  1473.26  29907.48  1646.65  267.504 7.5140 283.474 7.9251 -15.97067      10.92096  
1 1 1 8  4  11 o 105.327 2.0663 4070.56   159.516 3905.05   249.212  4185.44   207.621  103.067 3.2989 106.761 2.6532 -3.693886      4.233471  
1 1 1 8  4  12 o 152.300 2.9993 8524.72   334.812 8595.82   550.865  8483.07   421.626  152.568 4.9261 151.799 3.7895 0.7685699      6.214993  
1 1 1 8  4  13 o 188.161 3.6924 13036.60  509.239 13139.23  726.251  12937.32  714.245  188.444 5.2580 187.006 5.2109 1.437607       7.402710  
1 1 1 8  4  14 o 97.377  1.9165 3479.72   136.785 3450.73   191.886  3509.67   195.037  96.907  2.7015 97.729  2.7228 -0.8219604     3.835588  
1 1 1 8  4  15 o 26.851  0.6194 264.266   12.191  271.897   17.593   257.217   16.909   27.234  0.8813 26.489  0.8709 0.7453175      1.239057  
1 1 1 8  4  16 o 81.810  1.6092 2455.28   96.495  2411.50   134.084  2502.30   138.976  81.037  2.2574 82.546  2.2970 -1.508575      3.220598  
1 1 1 8  4  17 o 67.323  1.5484 1662.73   76.407  1587.97   103.330  1752.91   113.495  65.761  2.1438 69.085  2.2414 -3.324326      3.101522  
1 1 1 8  4  18 o 38.094  0.9362 532.045   26.140  495.212   34.767   579.943   39.647   36.745  1.2909 39.763  1.3604 -3.017735      1.875366  
1 1 1 8  4  19 o 75.348  1.9014 2084.85   105.010 2227.26   178.590  2009.60   129.823  77.745  3.1340 73.932  2.3957 3.812469       3.944838  
1 1 1 8  4  20 f 78.406  1.7974 2258.02   103.292 2390.56   154.205  2150.16   139.113  80.574  2.6111 76.432  2.4832 4.141411       3.603346  
1 1 1 8  4  21 o 81.365  1.6082 2431.57   95.910  2496.82   139.110  2372.45   132.413  82.354  2.3046 80.285  2.2502 2.068863       3.220934  
1 1 1 8  4  22 o 27.507  0.6463 277.432   13.030  271.082   18.001   284.420   18.884   27.185  0.9034 27.845  0.9253 -0.6601429     1.293177  
1 1 1 8  4  23 o 47.818  0.9841 839.193   34.492  857.475   49.607   822.083   47.990   48.300  1.4013 47.294  1.3844 1.005623       1.969805  
1 1 1 8  4  24 o 31.290  0.8182 359.246   18.765  385.772   27.734   336.849   25.485   32.404  1.1677 30.281  1.1482 2.123117       1.637670  
1 1 1 8  4  25 o 32.470  0.9287 387.113   22.103  401.620   36.329   378.587   27.851   33.023  1.5009 32.092  1.1840 0.9312553      1.911728  
1 1 1 8  4  26 o 50.292  1.0339 929.285   38.111  929.135   53.945   929.434   53.850   50.224  1.4654 50.232  1.4626 -0.8583069E-02 2.070421  
1 1 1 8  4  27 o 43.953  0.9234 709.562   29.749  711.209   42.127   707.924   42.015   43.955  1.3076 43.853  1.3071 0.1015396      1.848890  
1 1 1 8  4  28 f 49.536  1.0244 902.102   37.192  876.646   51.174   930.601   54.146   48.758  1.4319 50.228  1.4708 -1.469570      2.052701  
1 1 1 8  4  29 o 11.057  0.7646 45.119    6.1586  52.846    9.2283   38.914    8.2696   11.936  1.0661 10.219  1.1225 1.716213       1.548094  
1 1 1 8  4  30 o 15.664  0.6099 90.067    7.0026  80.752    9.5745   100.781   10.268   14.791  0.8872 16.534  0.8501 -1.743008      1.228795  
1 1 1 8  4  31 o 34.128  0.7745 428.050   19.373  402.870   26.055   459.185   28.972   33.066  1.0750 35.294  1.1200 -2.227402      1.552405  
1 1 1 8  5  0  o 137.443 3.8276 6944.34   384.918 6386.55   498.781  7765.68   605.253  131.613 5.1888 145.110 5.7107 0.000000       0.000000  
1 1 1 8  5  1  o 290.773 5.7027 31091.28  1215.38 33270.85  1835.52  29389.58  1621.87  300.211 8.3416 282.277 7.8390 17.93417       11.44691  
1 1 1 8  5  2  o 19.004  0.5277 132.356   7.3504  136.944   10.614   128.127   10.190   19.330  0.7491 18.697  0.7435 0.6326237      1.055458  
1 1 1 8  5  3  o 85.317  1.7938 2668.60   112.171 2863.53   158.281  2471.92   158.988  88.364  2.4438 82.095  2.6422 6.269127       3.599098  
1 1 1 8  5  4  o 131.428 2.5749 6335.56   248.042 6546.45   324.899  6040.90   384.042  133.561 3.3188 128.255 4.0853 5.305862       5.263477  
1 1 1 8  5  5  o 91.057  1.8002 3039.99   120.147 3269.64   162.602  2763.83   178.309  94.419  2.3496 86.795  2.8028 7.623878       3.657357  
1 1 1 8  5  6  o 205.322 4.6336 15500.75  697.330 16658.54  1292.88  15025.75  828.109  212.077 8.3173 201.999 5.5932 10.07755       10.02306  
1 1 1 8  5  7  o 202.551 4.5955 15090.93  682.256 15302.64  983.054  14894.20  947.633  203.574 6.5883 200.873 6.4363 2.700790       9.210432  
1 1 1 8  5  8  f 125.497 2.8410 5781.34   261.332 5973.80   329.955  5457.40   428.069  127.512 3.5304 121.746 4.7971 5.765739       5.956134  
1 1 1 8  5  9  o 184.907 4.1913 12582.31  568.044 12549.97  802.520  12614.79  804.155  184.284 5.9414 184.760 5.9381 -0.4761200     8.400100  
1 1 1 8  5  10 o 113.353 2.2290 4715.27   185.194 4896.09   270.327  4555.35   254.222  115.422 3.1954 111.341 3.1151 4.081017       4.462545  
1 1 1 8  5  11 o 44.004  0.9598 709.848   30.957  729.035   48.582   696.732   40.168   44.586  1.4866 43.592  1.2572 0.9948235      1.946911  
1 1 1 8  5  12 f 39.298  0.8144 566.095   23.457  523.111   35.848   598.279   31.019   37.770  1.2949 40.397  1.0476 -2.626553      1.665610  
1 1 1 8  5  13 o 99.391  1.9533 3625.25   142.297 3522.27   225.698  3693.19   183.322  97.862  3.1465 100.274 2.4943 -2.412415      4.015241  
1 1 1 8  5  14 o 124.611 2.6056 5705.24   237.979 5823.35   321.579  5562.25   353.834  125.767 3.4885 122.840 3.9299 2.927269       5.254863  
1 1 1 8  5  15 o 58.774  1.4901 1267.05   64.193  1217.33   97.770   1304.73   85.107   57.574  2.3169 59.623  1.9475 -2.049267      3.026637  
1 1 1 8  5  16 o 129.796 3.2222 6200.46   306.546 6182.15   394.586  6228.34   486.852  129.421 4.1596 129.667 5.1226 -0.2462463     6.598730  
1 1 1 8  5  17 o 148.169 3.3511 8087.22   363.934 8201.65   521.029  7978.20   508.558  148.821 4.7766 146.796 4.7266 2.025391       6.719834  
1 1 1 8  5  18 o 19.519  0.6374 139.648   9.1187  129.344   12.323   152.120   13.557   18.783  0.8951 20.369  0.9080 -1.586588      1.275039  
1 1 1 8  5  19 o 181.785 3.8270 12218.04  509.912 11918.83  655.914  12675.09  810.672  178.991 4.9996 183.971 6.0119 -4.980713      7.819175  
1 1 1 8  5  20 o 172.401 3.3862 10986.20  427.886 11305.55  621.303  10698.08  590.144  174.099 4.8689 169.427 4.7522 4.671890       6.803610  
1 1 1 8  5  21 o 84.047  1.6651 2595.54   102.576 2601.10   145.422  2590.03   144.710  84.027  2.3612 83.850  2.3546 0.1777878      3.334553  
1 1 1 8  5  22 o 122.497 2.4110 5539.04   216.473 5342.31   295.314  5767.51   318.249  119.896 3.3605 124.510 3.4872 -4.613518      4.842888  
1 1 1 8  5  23 o 34.930  0.7628 447.582   19.531  490.767   29.678   414.591   25.940   36.558  1.1076 33.604  1.0532 2.953583       1.528360  
1 1 1 8  5  24 o 35.789  0.7784 469.971   20.419  489.357   29.872   452.970   27.974   36.498  1.1166 35.117  1.0868 1.380901       1.558241  
1 1 1 8  5  25 o 82.323  1.9131 2504.12   115.434 2565.37   165.926  2446.68   160.696  82.975  2.7283 81.044  2.7052 1.931007       3.842108  
1 1 1 8  5  26 o 5.1966  1.1974 10.329    4.4670  14.342    6.7784   7.2493    5.9391   6.1186  1.5186 4.5627  1.5181 1.555895       2.147269  
1 1 1 8  5  27 o 18.413  0.5870 124.370   7.9220  139.513   11.803   111.957   10.687   19.493  0.8261 17.462  0.8350 2.031271       1.174572  
1 1 1 8  5  28 o 9.7818  0.7168 35.311    5.1035  43.719    7.4805   27.991    6.9803   10.866  0.9488 8.6498  1.1278 2.215762       1.473858  
1 1 1 8  5  29 o 21.663  0.8566 172.492   13.602  157.406   17.929   192.952   20.878   20.632  1.1906 22.840  1.2519 -2.207968      1.727708  
1 1 1 8  5  30 o 12.672  0.6260 58.960    5.8141  59.710    8.1074   58.165    8.3422   12.712  0.8755 12.541  0.9139 0.1710215      1.265574  
1 1 1 8  6  0  o 51.813  1.4621 986.336   55.427  929.494   74.159   1058.27   83.427   50.233  2.0216 53.603  2.1311 0.000000       0.000000  
1 1 1 8  6  1  o 116.862 2.2877 5008.25   195.953 5101.34   282.803  4922.29   271.765  117.903 3.2725 115.819 3.2014 2.084290       4.577982  
1 1 1 8  6  2  o 258.251 5.0461 24522.96  955.173 24653.59  1355.71  24394.21  1345.98  258.507 7.1551 257.147 7.1413 1.360168       10.10905  
1 1 1 8  6  3  o 115.135 2.2620 4861.54   190.888 5120.99   283.983  4647.68   257.822  118.122 3.2800 112.539 3.1256 5.583351       4.530810  
1 1 1 8  6  4  o 87.617  1.7159 2814.63   110.194 2857.37   141.573  2748.94   175.516  88.268  2.1882 86.559  2.7665 1.709328       3.527275  
1 1 1 8  6  5  o 211.436 4.7580 16443.77  737.371 16148.69  1023.16  16762.64  1063.62  209.161 6.6739 213.069 6.8106 -3.907349      9.535480  
1 1 1 8  6  6  o 261.569 7.2570 25312.15  1391.31 26686.66  2922.74  24909.41  1582.06  264.048 15.165 259.093 8.3308 4.954865       17.30289  
1 1 1 8  6  7  o 39.214  1.0228 563.671   29.396  558.661   37.459   571.703   47.429   39.037  1.3092 39.486  1.6388 -0.4490929     2.097531  
1 1 1 8  6  8  o 274.089 6.2692 27787.51  1259.47 30969.98  1700.47  23920.13  1874.55  288.504 8.0415 252.437 10.131 36.06726       12.93472  
1 1 1 8  6  9  o 88.551  2.2155 2877.51   143.797 3117.51   200.509  2623.35   206.336  92.121  2.9696 84.479  3.3323 7.642075       4.463459  
1 1 1 8  6  10 o 23.426  0.9028 201.163   15.502  219.582   20.710   177.695   23.377   24.473  1.1546 21.964  1.4604 2.508669       1.861660  
1 1 1 8  6  11 o 82.530  1.7344 2498.67   104.919 2509.06   161.052  2491.01   138.290  82.646  2.6587 82.373  2.2905 0.2728653      3.509254  
1 1 1 8  6  12 o 105.824 2.0839 4110.56   161.637 4535.39   291.483  3921.92   194.238  110.988 3.5831 103.326 2.5648 7.662460       4.406402  
1 1 1 8  6  13 o 133.407 2.6068 6539.07   254.899 6503.87   414.125  6560.54   323.423  132.765 4.2556 133.522 3.3047 -0.7567749     5.388123  
1 1 1 8  6  14 o 80.912  1.5958 2401.63   94.636  2314.56   128.888  2503.48   139.402  79.395  2.2148 82.565  2.3035 -3.170197      3.195560  
1 1 1 8  6  15 o 80.214  1.5883 2360.41   93.379  2474.90   137.623  2262.74   127.118  82.091  2.2873 78.499  2.2093 3.591866       3.180059  
1 1 1 8  6  16 f 128.692 2.9123 6092.08   274.703 5995.06   381.306  6196.76   396.092  127.436 4.0823 129.541 4.1716 -2.105156      5.836730  
1 1 1 8  6  17 o 111.674 2.1922 4581.01   179.438 4487.54   248.543  4682.77   259.327  110.407 3.0713 112.771 3.1374 -2.364983      4.390468  
1 1 1 8  6  18 o 52.290  1.2253 1002.89   46.962  995.873   65.973   1010.09   66.866   52.086  1.7281 52.456  1.7391 -0.3700256     2.451681  
1 1 1 8  6  19 o 113.285 2.5722 4724.19   213.580 4474.92   286.357  5036.70   320.638  110.034 3.5506 116.680 3.7492 -6.646088      5.163610  
1 1 1 8  6  20 o 101.785 2.0104 3809.28   149.984 3898.62   215.939  3726.01   208.477  102.798 2.8659 100.505 2.8300 2.293198       4.027729  
1 1 1 8  6  21 o 38.746  0.8226 550.584   23.361  540.273   32.406   561.742   33.708   38.369  1.1523 39.122  1.1755 -0.7537918     1.646103  
1 1 1 8  6  22 o 29.460  0.6760 318.262   14.598  300.605   19.655   339.981   21.799   28.623  0.9369 30.438  0.9771 -1.815317      1.353692  
1 1 1 8  6  23 o 35.546  0.8861 463.694   23.086  488.566   33.947   442.292   31.490   36.460  1.2703 34.693  1.2384 1.767124       1.774038  
1 1 1 8  6  24 o 53.038  1.0822 1033.48   42.069  986.247   57.057   1089.75   62.272   51.752  1.5042 54.389  1.5621 -2.637520      2.168570  
1 1 1 8  6  25 o 7.8739  0.9187 23.074    5.2024  22.040    7.3499   24.113    7.3646   7.6244  1.3654 7.9937  1.3018 -0.3693233     1.886477  
1 1 1 8  6  26 o 44.563  0.9307 729.406   30.400  735.190   43.370   723.819   42.625   44.688  1.3241 44.343  1.3115 0.3450432      1.863618  
1 1 1 8  6  27 o 8.9511  0.7604 29.623    4.9414  25.160    6.9432   34.203    7.0341   8.1844  1.1925 9.5933  1.0158 -1.408848      1.566479  
1 1 1 8  6  28 o 60.017  1.2201 1326.82   53.675  1315.72   75.340   1338.25   76.488   59.616  1.7242 60.120  1.7358 -0.5041275     2.446592  
1 1 1 8  6  29 o 28.173  0.7841 291.647   16.191  298.977   22.893   284.313   22.901   28.489  1.0964 27.777  1.1248 0.7112007      1.570748  
1 1 1 8  6  30 o 26.221  0.6525 252.507   12.540  243.811   17.153   262.490   18.378   25.741  0.9092 26.705  0.9389 -0.9642353     1.306953  
1 1 1 8  7  0  o 46.550  1.3168 796.146   44.848  777.096   62.049   816.983   64.895   45.931  1.8499 47.096  1.8868 0.000000       0.000000  
1 1 1 8  7  1  o 84.221  1.6670 2600.60   102.902 2370.85   131.522  2963.19   165.229  80.401  2.2318 89.876  2.5082 -9.475143      3.357390  
1 1 1 8  7  2  o 189.148 3.6995 13140.18  512.887 14384.73  790.530  12235.51  673.993  197.650 5.4568 182.351 5.0427 15.29958       7.430092  
1 1 1 8  7  3  o 162.473 3.1730 9690.45   377.858 9694.64   533.231  9686.22   535.520  162.372 4.4805 162.299 4.5017 0.7312012E-01  6.351378  
1 1 1 8  7  4  o 178.139 4.4169 11670.08  576.710 11808.54  756.395  11477.82  891.286  178.974 5.7660 176.226 6.9003 2.748047       8.992264  
1 1 1 8  7  5  o 274.267 8.8474 27990.67  1778.57 27485.95  3014.39  28260.21  2202.88  267.289 15.452 274.483 10.950 -7.194061      18.93847  
1 1 1 8  7  6  o 171.724 4.7488 10860.41  597.722 10557.29  1159.19  10970.19  697.617  167.842 9.4612 172.441 5.5194 -4.598831      10.95344  
1 1 1 8  7  7  o 162.992 3.4099 9763.90   407.374 10721.84  588.063  8880.05   564.865  170.582 4.7034 155.193 4.9658 15.38914       6.839698  
1 1 1 8  7  8  o 62.623  1.4297 1438.03   65.626  1488.50   83.035   1354.04   107.113  63.703  1.7784 60.736  2.4061 2.967270       2.991997  
1 1 1 8  7  9  f 122.376 3.0401 5503.77   272.685 5853.29   372.946  5102.27   399.713  126.068 4.0361 117.610 4.6368 8.457756       6.147390  
1 1 1 8  7  10 o 7.6423  0.6593 21.567    3.6569  18.575    4.9944   25.024    5.3693   7.0487  0.9943 8.2122  0.9072 -1.163523      1.345969  
1 1 1 8  7  11 o 111.674 2.2023 4578.51   180.263 4806.31   308.306  4460.19   222.202  114.237 3.6821 110.167 2.7518 4.070175       4.596754  
1 1 1 8  7  12 o 113.122 2.2268 4698.58   184.629 4576.94   296.161  4775.91   236.130  111.474 3.6247 113.983 2.8264 -2.509018      4.596402  
1 1 1 8  7  13 f 69.844  1.3871 1789.09   71.011  1771.61   116.137  1799.53   89.742   69.457  2.2813 70.031  1.7483 -0.5747528     2.874161  
1 1 1 8  7  14 o 144.685 2.8511 7697.28   302.358 8535.59   541.648  7317.81   364.421  151.881 4.8656 140.950 3.5274 10.93077       6.009705  
1 1 1 8  7  15 o 89.368  1.7558 2930.80   115.013 2928.96   162.637  2932.65   162.669  89.280  2.4853 89.337  2.4842 -0.5638123E-01 3.514018  
1 1 1 8  7  16 o 66.597  1.8691 1628.12   91.236  1599.08   126.110  1660.02   132.157  65.949  2.6089 67.187  2.6836 -1.238602      3.742787  
1 1 1 8  7  17 f 64.695  1.2862 1535.20   60.989  1599.10   89.534   1479.87   83.306   65.998  1.8509 63.493  1.7901 2.504585       2.574898  
1 1 1 8  7  18 o 101.602 2.0028 3792.47   149.146 3832.15   212.052  3753.62   209.814  102.006 2.8362 100.956 2.8355 1.050522       4.010457  
1 1 1 8  7  19 o 36.776  0.9099 495.966   24.526  459.476   32.642   543.269   37.165   35.387  1.2585 38.477  1.3178 -3.089478      1.822227  
1 1 1 8  7  20 o 75.945  1.5054 2118.10   83.799  2220.98   124.058  2031.77   113.646  77.679  2.1789 74.310  2.0865 3.368927       3.016850  
1 1 1 8  7  21 o 58.868  1.1837 1272.14   51.073  1259.70   71.459   1285.13   73.023   58.531  1.6657 59.117  1.6853 -0.5856476     2.369519  
1 1 1 8  7  22 o 56.268  1.1423 1162.68   47.109  1138.68   65.094   1189.08   68.263   55.629  1.5964 56.841  1.6385 -1.211884      2.287635  
1 1 1 8  7  23 o 46.421  1.3510 792.469   45.968  778.362   63.416   808.089   66.728   45.931  1.8837 46.790  1.9457 -0.8583870     2.708149  
1 1 1 8  7  24 o 20.848  0.5803 159.405   8.8670  149.844   12.175   170.204   12.939   20.205  0.8221 21.534  0.8198 -1.329117      1.161018  
1 1 1 8  7  25 o 5.5919  1.0808 11.883    4.2696  4.2134    5.8144   20.858    6.2897   3.9462  1.4825 7.4387  1.1940 -3.492432      1.903531  
1 1 1 8  7  26 o 35.226  0.8266 455.598   21.342  450.541   28.102   462.490   32.807   35.005  1.0953 35.447  1.2627 -0.4420586     1.671545  
1 1 1 8  7  27 o 41.383  0.9365 629.332   28.408  626.503   37.489   633.147   43.535   41.248  1.2400 41.433  1.4335 -0.1850357     1.895416  
1 1 1 8  7  28 o 18.423  0.5876 124.552   7.9352  126.869   11.216   122.231   11.228   18.582  0.8235 18.238  0.8399 0.3437176      1.176293  
1 1 1 8  7  29 o 27.263  0.6643 272.945   13.273  294.228   19.818   255.632   17.875   28.275  0.9563 26.359  0.9252 1.916119       1.330585  
1 1 1 8  7  30 o 18.326  0.5924 123.301   7.9580  122.779   11.202   123.832   11.307   18.272  0.8365 18.349  0.8407 -0.7787704E-01 1.185954  
1 1 1 8  8  0  o 47.951  1.3537 844.793   47.490  877.355   69.532   816.323   65.017   48.803  1.9509 47.074  1.8913 0.000000       0.000000  
1 1 1 8  8  1  o 100.093 2.2599 3675.20   165.793 3520.09   224.293  3862.04   246.163  97.914  3.1253 102.550 3.2750 -4.636208      4.526892  
1 1 1 8  8  2  o 117.815 3.2483 5097.57   280.502 5279.76   410.514  4938.01   384.173  119.768 4.6763 115.843 4.5245 3.925072       6.506887  
1 1 1 8  8  3  o 84.472  1.9271 2617.05   119.314 2809.57   179.416  2464.40   159.761  87.487  2.7980 81.943  2.6600 5.543854       3.860582  
1 1 1 8  8  4  o 104.176 2.0475 3981.04   156.345 4110.75   204.255  3797.53   242.958  105.827 2.6333 101.674 3.2602 4.153419       4.190798  
1 1 1 8  8  5  o 219.396 4.9494 17745.37  795.907 17798.35  1128.42  17692.92  1122.76  219.066 7.0278 218.421 7.0131 0.6444550      9.928424  
1 1 1 8  8  6  o 176.235 3.9813 11430.49  514.272 11517.51  733.693  11346.45  721.053  176.523 5.6706 175.222 5.6143 1.301071       7.979769  
1 1 1 8  8  7  o 20.373  0.5030 152.120   7.5108  150.379   10.728   153.793   10.519   20.255  0.7226 20.484  0.7006 -0.2287292     1.006494  
1 1 1 8  8  8  o 85.081  1.9438 2656.02   121.219 2605.67   145.951  2767.99   217.649  84.246  2.3636 86.747  3.4231 -2.500366      4.159869  
1 1 1 8  8  9  o 29.151  0.9099 311.521   19.442  328.360   23.667   276.576   34.094   29.927  1.0789 27.405  1.7058 2.522093       2.018399  
1 1 1 8  8  10 o 62.847  1.3358 1448.47   61.533  1405.75   79.275   1513.22   97.596   61.899  1.7473 64.206  2.0738 -2.307587      2.711812  
1 1 1 8  8  11 o 64.347  1.2744 1518.40   60.106  1460.94   94.521   1557.41   77.881   63.087  2.0441 65.155  1.6308 -2.068821      2.614951  
1 1 1 8  8  12 o 102.429 2.1541 3852.24   161.723 4400.86   343.624  3696.15   183.292  109.177 4.2941 100.301 2.4932 8.876106       4.965413  
1 1 1 8  8  13 o 79.554  1.5650 2321.77   91.257  2349.49   150.924  2305.80   114.574  79.958  2.5752 79.256  1.9723 0.7018280      3.243718  
1 1 1 8  8  14 o 61.921  1.2335 1406.08   55.984  1480.83   95.988   1367.55   68.920   63.508  2.0621 61.055  1.5401 2.452675       2.573728  
1 1 1 8  8  15 o 66.455  1.4158 1619.98   68.960  1512.29   98.460   1723.67   96.613   64.172  2.0933 68.521  1.9237 -4.349083      2.842965  
1 1 1 8  8  16 o 55.730  1.2962 1139.20   52.948  1101.48   72.545   1182.21   77.457   54.777  1.8069 56.746  1.8623 -1.968815      2.594755  
1 1 1 8  8  17 o 89.529  1.7593 2942.78   115.446 2883.12   160.051  3007.48   166.680  88.540  2.4663 90.423  2.5149 -1.883087      3.522392  
1 1 1 8  8  18 o 92.744  1.8276 3159.73   124.235 3112.85   173.037  3209.59   178.479  91.949  2.5675 93.359  2.6082 -1.410881      3.659930  
1 1 1 8  8  19 o 51.855  1.3434 986.951   51.058  889.247   73.814   1076.59   70.701   49.172  2.0481 54.127  1.7821 -4.955593      2.714853  
1 1 1 8  8  20 o 72.402  1.5427 1926.00   81.869  1920.39   107.551  1933.73   126.241  72.228  2.0315 72.420  2.3783 -0.1911392     3.127842  
1 1 1 8  8  21 o 56.791  1.1437 1184.14   47.606  1183.69   67.185   1184.59   67.466   56.728  1.6158 56.749  1.6220 -0.2098083E-01 2.289502  
1 1 1 8  8  22 o 64.797  1.3017 1543.40   61.821  1508.05   85.703   1581.75   89.263   63.955  1.8283 65.493  1.8595 -1.537319      2.607734  
1 1 1 8  8  23 o 54.737  1.2930 1101.93   51.875  1172.11   77.579   1045.17   69.766   56.343  1.8786 53.223  1.7884 3.119686       2.593702  
1 1 1 8  8  24 o 38.410  0.8199 541.569   23.082  517.599   31.324   570.048   34.143   37.522  1.1390 39.373  1.1831 -1.850361      1.642258  
1 1 1 8  8  25 o 30.926  0.7037 350.969   15.952  384.600   24.219   325.201   21.200   32.350  1.0214 29.751  0.9722 2.599031       1.410112  
1 1 1 8  8  26 o 54.955  1.2971 1112.15   52.248  1198.44   79.092   1045.34   69.595   56.890  1.8968 53.163  1.7860 3.726833       2.605289  
1 1 1 8  8  27 o 37.512  0.8144 516.834   22.392  526.917   32.021   507.186   31.323   37.833  1.1547 37.118  1.1513 0.7146072      1.630637  
1 1 1 8  8  28 o 7.1836  0.9352 19.299    4.8076  17.882    6.7471   20.760    6.8519   6.8352  1.3940 7.3913  1.3129 -0.5561137     1.914885  
1 1 1 8  8  29 o 6.5485  1.0053 16.156    4.6708  22.357    6.7688   10.518    6.4535   7.6854  1.2441 5.2842  1.5593 2.401220       1.994783  
1 1 1 8  8  30 o 23.690  0.6261 206.084   10.872  219.837   15.971   194.206   14.842   24.442  0.8915 22.974  0.8814 1.468025       1.253635  
1 1 1 8  9  0  o 50.996  1.4470 955.604   53.988  904.441   72.024   1021.21   81.562   49.547  1.9906 52.646  2.1215 0.000000       0.000000  
1 1 1 8  9  1  o 49.298  0.9908 890.868   35.800  815.930   46.528   999.617   56.050   47.174  1.3456 52.213  1.4646 -5.038597      1.988914  
1 1 1 8  9  2  o 23.082  0.5222 195.274   8.8345  193.953   12.368   196.650   12.624   23.003  0.7335 23.163  0.7435 -0.1593323     1.044489  
1 1 1 8  9  3  o 47.884  0.9551 840.484   33.520  845.891   42.651   831.750   54.209   48.034  1.2114 47.625  1.5529 0.4091530      1.969580  
1 1 1 8  9  4  o 77.684  1.6303 2213.26   92.830  2171.63   120.741  2273.45   145.173  76.929  2.1413 78.692  2.5169 -1.763550      3.304589  
1 1 1 8  9  5  o 161.770 3.6533 9629.11   433.171 9361.16   595.872  9929.42   630.815  159.201 5.1065 163.926 5.2502 -4.724564      7.324007  
1 1 1 8  9  6  o 47.180  1.0921 816.079   37.766  821.872   53.889   810.488   52.941   47.338  1.5531 47.009  1.5365 0.3286057      2.184727  
1 1 1 8  9  7  o 48.427  1.0357 859.784   36.763  840.548   54.975   875.345   49.445   47.871  1.5668 48.857  1.3808 -0.9853592     2.088364  
1 1 1 8  9  8  o 74.997  2.0995 2064.58   115.410 2319.34   182.110  1893.58   149.197  79.412  3.1287 71.777  2.8359 7.635223       4.222729  
1 1 1 8  9  9  o 170.065 9.7495 11022.90  1210.21 0.0000    0.0000   11022.90  1210.21  ?       ?      170.065 9.7495 0.000000       9.749512  
1 1 1 8  9  10 o 73.308  2.0412 1972.81   109.680 1982.43   155.968  1963.41   154.269  73.424  2.8981 73.073  2.8803 0.3516388      4.086007  
1 1 1 8  9  11 o 22.890  0.5502 192.039   9.2306  184.372   14.812   196.908   11.803   22.426  0.9011 23.177  0.6948 -0.7514496     1.137871  
1 1 1 8  9  12 o 30.876  0.6716 349.447   15.198  332.930   23.919   360.631   19.683   30.133  1.0830 31.364  0.8562 -1.231476      1.380532  
1 1 1 8  9  13 o 157.526 3.0811 9132.04   355.750 8706.55   554.453  9429.78   463.809  153.315 4.9340 159.858 3.9584 -6.542877      6.325645  
1 1 1 8  9  14 o 72.904  1.4414 1949.78   77.025  1874.37   121.332  2000.68   99.689   71.425  2.3176 73.827  1.8423 -2.401855      2.960626  
1 1 1 8  9  15 f 76.449  1.7468 2145.26   97.880  2412.24   189.017  2047.44   114.416  80.919  3.1869 74.660  2.0908 6.258316       3.811551  
1 1 1 8  9  16 o 73.933  1.6898 2006.45   91.570  2007.07   129.061  2005.83   129.942  73.885  2.3832 73.860  2.4003 0.2449799E-01  3.382433  
1 1 1 8  9  17 o 34.216  0.7385 429.205   18.520  429.966   26.085   428.430   26.300   34.240  1.0394 34.179  1.0498 0.6145859E-01  1.477305  
1 1 1 8  9  18 o 58.946  1.1832 1274.84   51.121  1276.48   72.211   1273.20   72.381   58.951  1.6712 58.874  1.6773 0.7618332E-01  2.367778  
1 1 1 8  9  19 f 56.620  1.4485 1177.32   60.112  1170.81   94.818   1181.70   77.729   56.376  2.2947 56.686  1.8708 -0.3106422     2.960624  
1 1 1 8  9  20 o 58.711  1.1836 1265.49   50.932  1281.40   72.789   1250.23   71.292   59.025  1.6825 58.304  1.6682 0.7203827      2.369335  
1 1 1 8  9  21 o 42.605  0.8873 666.112   27.709  674.213   39.558   658.310   38.826   42.835  1.2599 42.328  1.2514 0.5074463      1.775831  
1 1 1 8  9  22 o 8.1372  0.7477 24.498    4.4093  24.566    6.1315   24.425    6.3454   8.1103  1.0565 8.0802  1.1000 0.3014565E-01  1.525211  
1 1 1 8  9  23 o 67.662  1.3544 1685.23   67.170  1630.52   92.022   1747.64   98.273   66.416  1.8903 68.742  1.9504 -2.325172      2.716157  
1 1 1 8  9  24 o 59.336  1.1967 1295.06   52.048  1290.81   73.422   1299.35   73.792   59.130  1.6941 59.324  1.6971 -0.1945152     2.397921  
1 1 1 8  9  25 o 43.356  0.9122 690.517   28.989  655.646   39.110   733.031   43.184   42.201  1.2644 44.613  1.3206 -2.411808      1.828342  
1 1 1 8  9  26 o 32.619  0.8592 390.846   20.542  434.285   31.506   358.725   27.092   34.339  1.2518 31.217  1.1841 3.121775       1.723051  
1 1 1 8  9  27 o 42.525  0.8968 664.769   27.952  684.083   40.502   647.201   38.626   43.070  1.2830 41.898  1.2578 1.172077       1.796675  
1 1 1 8  9  28 o 19.336  0.8076 137.437   11.446  145.445   15.839   128.685   16.559   19.836  1.0937 18.635  1.2191 1.201590       1.637749  
1 1 1 8  9  29 o 11.043  0.6535 44.949    5.2660  38.585    7.2854   51.911    7.6204   10.187  0.9881 11.844  0.8842 -1.657135      1.325955  
1 1 1 8  10 0  o 11.757  0.6260 51.087    5.3595  42.262    7.3063   61.367    7.8858   10.610  0.9574 12.857  0.8452 0.000000       0.000000  
1 1 1 8  10 1  o 111.720 2.1918 4581.04   179.480 4860.98   268.593  4355.20   241.250  114.987 3.1869 108.858 3.0236 6.129288       4.392997  
1 1 1 8  10 2  o 80.204  1.5710 2359.28   92.351  2333.94   115.715  2403.72   153.271  79.753  1.9795 80.901  2.5848 -1.147919      3.255698  
1 1 1 8  10 3  o 26.688  0.5776 261.053   11.299  270.854   14.806   247.387   17.483   27.183  0.7431 25.978  0.9182 1.205509       1.181243  
1 1 1 8  10 4  o 55.865  1.4103 1144.49   57.749  1239.03   97.741   1093.80   71.578   58.094  2.2954 54.602  1.7885 3.491943       2.909935  
1 1 1 8  10 5  o 131.751 3.6425 6391.17   351.754 6726.98   522.337  6112.50   475.821  134.823 5.2858 128.572 5.0491 6.250443       7.309782  
1 1 1 8  10 6  o 199.181 4.4987 14648.26  656.773 15137.25  958.141  14214.86  902.031  201.673 6.4819 195.518 6.2944 6.155716       9.035159  
1 1 1 8  10 7  o 79.746  1.5727 2332.88   91.927  2165.99   120.807  2562.43   141.681  76.809  2.1459 83.530  2.3141 -6.721603      3.155938  
1 1 1 8  10 8  o 14.568  0.5041 77.786    5.3825  81.881    7.3320   72.999    7.9267   14.946  0.6693 14.091  0.7704 0.8553972      1.020537  
1 1 1 8  10 9  o 94.608  2.1470 3286.61   148.878 3308.24   183.043  3244.32   255.902  94.872  2.6323 93.815  3.7215 1.057610       4.558383  
1 1 1 8  10 10 o 76.459  1.7416 2145.27   97.603  2077.14   133.886  2222.55   142.588  75.189  2.4294 77.770  2.5014 -2.581345      3.487007  
1 1 1 8  10 11 o 105.893 2.0770 4117.35   161.208 3742.40   239.442  4428.23   218.025  100.818 3.2403 109.744 2.7105 -8.926064      4.224429  
1 1 1 8  10 12 o 19.002  0.5237 132.339   7.2940  140.134   12.391   128.206   9.0228   19.551  0.8647 18.702  0.6582 0.8492737      1.086717  
1 1 1 8  10 13 o 51.892  1.0512 987.375   39.983  941.442   62.643   1018.95   51.939   50.649  1.6874 52.706  1.3445 -2.057053      2.157542  
1 1 1 8  10 14 o 109.385 2.1447 4395.71   171.955 4687.21   298.800  4251.37   210.262  112.701 3.6172 107.503 2.6685 5.198235       4.494989  
1 1 1 8  10 15 o 24.031  0.6785 211.699   11.950  191.816   19.675   223.323   15.043   22.838  1.1794 24.681  0.8316 -1.842140      1.443055  
1 1 1 8  10 16 o 72.509  1.6560 1930.30   88.010  1924.19   151.672  1933.39   108.064  72.263  2.8636 72.533  2.0327 -0.2703629     3.511657  
1 1 1 8  10 17 o 84.393  2.1121 2619.58   130.648 2539.29   163.021  2763.74   218.436  82.999  2.6797 86.425  3.4483 -3.426605      4.367098  
1 1 1 8  10 18 o 43.338  1.2653 689.374   40.191  751.112   60.534   640.704   53.748   45.200  1.8272 41.751  1.7564 3.448933       2.534450  
1 1 1 8  10 19 o 25.000  0.8754 229.267   16.041  225.180   22.120   233.799   23.297   24.766  1.2186 25.234  1.2596 -0.4679585     1.752619  
1 1 1 8  10 20 o 23.308  0.5875 199.199   10.037  202.885   14.329   195.648   14.064   23.516  0.8313 23.093  0.8309 0.4231796      1.175392  
1 1 1 8  10 21 o 47.202  0.9691 818.022   33.530  814.072   47.244   822.031   47.594   47.044  1.3701 47.273  1.3736 -0.2289810     1.940086  
1 1 1 8  10 22 o 31.734  0.8088 369.614   18.812  370.909   26.579   368.315   26.629   31.766  1.1415 31.654  1.1477 0.1118145      1.618771  
1 1 1 8  10 23 o 16.178  0.5486 95.995    6.5049  91.729    8.8817   100.931   9.5536   15.809  0.7665 16.582  0.7860 -0.7733202     1.097904  
1 1 1 8  10 24 o 37.312  0.8060 511.132   22.041  536.414   32.345   489.215   30.116   38.186  1.1556 36.471  1.1266 1.715282       1.613925  
1 1 1 8  10 25 o 40.425  0.8621 600.257   25.543  621.409   37.183   581.357   35.148   41.082  1.2349 39.740  1.2067 1.341820       1.726543  
1 1 1 8  10 26 o 25.505  0.8237 238.969   15.398  223.334   23.961   249.968   20.097   24.573  1.3354 26.066  1.0519 -1.492579      1.699917  
1 1 1 8  10 27 o 21.171  0.5954 164.514   9.2386  169.593   13.234   159.686   12.903   21.478  0.8407 20.841  0.8446 0.6371078      1.191693  
1 1 1 8  10 28 o 23.152  0.7219 196.974   12.250  199.768   16.987   193.947   17.682   23.288  0.9952 22.939  1.0516 0.3486385      1.447886  
1 1 1 8  10 29 o 37.759  0.8244 524.441   22.817  554.998   33.742   498.697   30.971   38.766  1.1875 36.756  1.1496 2.010021       1.652793  
1 1 1 8  11 0  o 194.870 5.4045 14023.62  770.599 14803.99  1148.58  13384.80  1039.20  199.389 7.8872 189.693 7.5009 0.000000       0.000000  
1 1 1 8  11 1  o 68.886  1.3617 1740.26   68.753  1620.19   90.855   1901.14   105.173  66.447  1.8655 71.972  1.9937 -5.524353      2.730362  
1 1 1 8  11 2  o 58.057  1.1527 1235.88   49.049  1232.34   61.577   1242.00   81.130   57.965  1.4493 58.176  1.9027 -0.2101593     2.391799  
1 1 1 8  11 3  o 80.474  1.5765 2375.64   92.992  2342.96   116.067  2434.22   155.396  79.897  1.9820 81.393  2.6048 -1.496521      3.273101  
1 1 1 8  11 4  o 147.079 3.3470 7963.18   360.811 8594.83   552.021  7492.06   476.744  152.401 4.9418 142.389 4.5680 10.01254       6.729673  
1 1 1 8  11 5  o 24.589  0.6918 221.621   12.468  207.802   15.377   248.139   21.301   23.808  0.8812 26.014  1.1172 -2.205795      1.422871  
1 1 1 8  11 6  o 115.371 2.2564 4888.56   190.809 5175.11   284.794  4655.17   257.027  118.562 3.2772 112.473 3.1178 6.089348       4.523370  
1 1 1 8  11 7  o 72.418  1.4234 1923.68   75.556  1934.72   107.613  1912.94   106.108  72.593  2.0225 72.185  2.0055 0.4086533      2.848248  
1 1 1 8  11 8  o 112.285 2.1988 4630.48   180.960 4783.61   264.074  4494.91   248.469  113.997 3.1605 110.517 3.0673 3.479286       4.404224  
1 1 1 8  11 9  o 87.230  1.9804 2793.53   126.620 2768.22   153.751  2846.87   223.211  86.796  2.4168 87.898  3.4646 -1.102066      4.224266  
1 1 1 8  11 10 o 48.386  1.1265 858.511   39.951  874.200   57.792   844.152   55.290   48.811  1.6154 47.966  1.5726 0.8446770      2.254465  
1 1 1 8  11 11 o 56.658  1.1324 1177.15   47.024  1206.17   78.429   1160.87   58.757   57.321  1.8667 56.254  1.4250 1.067142       2.348474  
1 1 1 8  11 12 o 109.180 2.1353 4378.67   170.880 4382.18   279.260  4376.56   216.049  109.012 3.4951 109.078 2.7023 -0.6561279E-01 4.417907  
1 1 1 8  11 13 o 91.823  1.8068 3095.51   121.604 2931.35   188.894  3211.70   158.914  89.230  2.8882 93.475  2.3194 -4.245712      3.704266  
1 1 1 8  11 14 o 69.166  1.3698 1755.14   69.441  1822.08   117.874  1719.57   85.936   70.403  2.2843 68.440  1.7131 1.963097       2.855287  
1 1 1 8  11 15 o 66.874  1.8726 1642.85   91.785  1657.91   184.177  1637.88   105.868  66.834  3.7752 66.746  2.1640 0.8733368E-01  4.351452  
1 1 1 8  11 16 o 70.285  1.3931 1813.26   71.768  1818.44   117.698  1810.19   90.548   70.291  2.2845 70.192  1.7600 0.9916687E-01  2.883819  
1 1 1 8  11 17 o 28.301  0.6437 293.638   13.353  307.766   22.756   286.218   16.491   28.963  1.0719 27.938  0.8053 1.025663       1.340756  
1 1 1 8  11 18 o 33.523  0.7267 412.110   17.856  414.418   25.348   409.837   25.158   33.607  1.0291 33.420  1.0270 0.1861954      1.453886  
1 1 1 8  11 19 o 31.011  0.7953 352.781   18.078  383.794   27.392   328.848   24.063   32.329  1.1560 29.928  1.0970 2.400520       1.593629  
1 1 1 8  11 20 o 27.368  0.6779 274.737   13.599  254.178   16.902   312.469   22.899   26.316  0.8763 29.168  1.0711 -2.851465      1.383850  
1 1 1 8  11 21 o 41.961  0.8785 646.376   27.018  626.058   37.034   669.495   39.505   41.263  1.2245 42.666  1.2632 -1.402958      1.759298  
1 1 1 8  11 22 o 35.986  1.0845 476.045   28.604  488.656   40.663   463.692   40.243   36.404  1.5239 35.459  1.5484 0.9455719      2.172547  
1 1 1 8  11 23 o 26.502  0.6334 257.682   12.304  253.518   17.104   262.149   17.713   26.272  0.8882 26.715  0.9046 -0.4423637     1.267802  
1 1 1 8  11 24 o 29.302  0.6805 315.114   14.615  297.946   19.767   335.820   21.708   28.474  0.9471 30.226  0.9798 -1.752674      1.362761  
1 1 1 8  11 25 o 43.468  0.9116 694.419   29.043  701.112   41.351   687.903   40.802   43.614  1.2935 43.203  1.2885 0.4118614      1.825778  
1 1 1 8  11 26 o 49.204  1.3005 893.351   46.902  819.571   69.121   956.307   63.851   46.907  2.0105 50.780  1.7155 -3.873554      2.642884  
1 1 1 8  11 27 o 11.193  0.7526 46.250    6.1388  41.477    9.6753   49.467    7.9421   10.519  1.2813 11.554  0.9461 -1.034575      1.592793  
1 1 1 8  11 28 o 7.3663  0.9568 20.321    5.0438  24.669    7.3283   16.407    6.9525   8.0699  1.2818 6.5225  1.4873 1.547394       1.963428  
1 1 1 8  12 0  o 153.581 4.2608 8698.34   478.798 8362.82   651.629  9092.03   705.864  150.135 5.9427 156.499 6.1754 0.000000       0.000000  
1 1 1 8  12 1  o 146.680 2.8690 7913.26   308.448 8177.23   403.138  7540.54   479.039  148.930 3.6931 142.787 4.5772 6.142990       5.881320  
1 1 1 8  12 2  o 100.629 1.9661 3717.38   145.011 3760.62   185.597  3649.62   232.342  101.159 2.5031 99.570  3.1836 1.588791       4.049812  
1 1 1 8  12 3  o 169.609 3.3269 10594.47  413.588 10553.47  522.534  10663.23  676.723  169.029 4.2177 169.462 5.4483 -0.4325256     6.890022  
1 1 1 8  12 4  o 41.318  0.9680 625.921   29.316  629.715   41.762   622.235   41.163   41.434  1.3751 41.188  1.3635 0.2465324      1.936519  
1 1 1 8  12 5  f 105.538 2.3874 4092.62   184.681 3957.50   218.661  4428.89   344.941  103.720 2.8763 109.469 4.2991 -5.748474      5.172507  
1 1 1 8  12 6  o 58.303  1.1564 1246.51   49.415  1254.72   70.407   1238.53   69.371   58.476  1.6427 58.098  1.6291 0.3779182      2.313508  
1 1 1 8  12 7  o 95.169  1.8679 3324.71   130.296 3406.43   188.133  3249.39   180.629  96.249  2.6668 94.010  2.6214 2.239502       3.739458  
1 1 1 8  12 8  o 37.513  0.7773 515.859   21.371  498.587   29.316   535.447   31.220   36.874  1.0847 38.212  1.1147 -1.338123      1.555324  
1 1 1 8  12 9  o 42.299  0.9964 656.024   30.892  679.960   39.107   616.302   50.379   43.058  1.2391 40.980  1.6773 2.077915       2.085341  
1 1 1 8  12 10 o 60.188  1.5219 1329.18   67.139  1470.03   95.215   1189.88   94.685   63.266  2.0533 56.906  2.2701 6.360428       3.060945  
1 1 1 8  12 11 o 32.984  0.7025 398.811   16.983  401.964   28.058   396.988   21.334   33.106  1.1563 32.906  0.8846 0.2005844      1.455829  
1 1 1 8  12 12 o 44.841  0.9115 737.233   29.958  740.222   49.266   735.479   37.736   44.913  1.4966 44.781  1.1497 0.1322136      1.887194  
1 1 1 8  12 13 o 151.987 2.9798 8512.47   331.957 8447.01   536.397  8553.11   422.607  150.718 4.8556 152.091 3.7910 -1.373352      6.160208  
1 1 1 8  12 14 o 46.048  0.9359 777.575   31.587  784.420   52.125   773.602   39.707   46.226  1.5385 45.922  1.1797 0.3039589      1.938688  
1 1 1 8  12 15 o 55.851  1.2977 1144.81   53.122  1140.62   91.184   1146.97   65.359   55.672  2.2346 55.884  1.5957 -0.2120895     2.745847  
1 1 1 8  12 16 o 11.409  0.5479 47.715    4.5818  50.115    7.7686   46.434    5.6737   11.653  0.9169 11.232  0.6925 0.4208021      1.149079  
1 1 1 8  12 17 o 85.935  1.6960 2715.63   106.824 2657.31   171.341  2752.71   136.629  84.771  2.7576 86.429  2.1568 -1.658249      3.500869  
1 1 1 8  12 18 o 25.847  0.6124 244.969   11.603  257.686   19.851   238.370   14.299   26.496  1.0222 25.492  0.7653 1.003666       1.276916  
1 1 1 8  12 19 o 49.729  1.1687 908.606   42.597  910.084   60.405   907.145   60.080   49.705  1.6580 49.625  1.6518 0.7937241E-01  2.340391  
1 1 1 8  12 20 o 36.952  0.9099 501.345   24.645  496.378   34.701   506.399   35.009   36.734  1.2888 37.103  1.2873 -0.3691025     1.821577  
1 1 1 8  12 21 o 32.681  0.7181 391.947   17.201  398.922   24.612   385.286   24.050   32.947  1.0191 32.380  1.0134 0.5674934      1.437209  
1 1 1 8  12 22 o 24.520  0.6967 220.644   12.521  210.793   16.706   233.271   18.914   23.952  0.9516 25.191  1.0243 -1.239536      1.398127  
1 1 1 8  12 23 o 60.476  1.2180 1346.53   53.992  1327.99   75.271   1366.17   77.489   59.924  1.7137 60.771  1.7397 -0.8469086     2.441990  
1 1 1 8  12 24 o 39.707  0.8453 579.206   24.601  554.008   33.455   608.875   36.302   38.790  1.1767 40.659  1.2181 -1.868702      1.693637  
1 1 1 8  12 25 o 55.131  1.1231 1119.40   45.385  1129.24   64.643   1109.82   63.734   55.235  1.5967 54.761  1.5879 0.4739418      2.251861  
1 1 1 8  12 26 o 18.619  0.6698 127.321   9.1402  130.750   12.986   123.954   12.867   18.848  0.9400 18.325  0.9613 0.5229626      1.344534  
1 1 1 8  12 27 o 23.524  0.7028 203.376   12.118  213.285   17.463   194.175   16.828   24.058  0.9904 22.953  1.0002 1.104298       1.407583  
1 1 1 8  12 28 o 8.0170  0.8357 23.906    4.8385  21.321    6.8830   26.430    6.8031   7.4850  1.3019 8.3857  1.1361 -0.9007068     1.727902  
1 1 1 8  13 0  o 97.028  2.6965 3464.21   191.432 3298.76   258.242  3666.03   285.213  94.495  3.7419 99.603  3.9206 0.000000       0.000000  
1 1 1 8  13 1  o 86.766  1.6993 2762.85   108.069 2857.22   141.222  2629.50   167.876  88.195  2.1846 84.555  2.7087 3.639877       3.479920  
1 1 1 8  13 2  o 98.150  1.9206 3536.82   138.166 3534.61   174.319  3540.57   226.602  98.068  2.4251 98.054  3.1530 0.1374054E-01  3.977753  
1 1 1 8  13 3  o 132.710 2.7752 6478.89   269.950 6937.75   380.755  6015.12   382.786  137.106 3.7889 127.590 4.0932 9.516426       5.577580  
1 1 1 8  13 4  o 37.953  0.8985 528.103   24.994  504.581   34.223   554.989   36.588   37.091  1.2588 38.899  1.2833 -1.808014      1.797627  
1 1 1 8  13 5  o 31.296  0.7655 359.061   17.560  338.365   20.502   416.039   34.018   30.379  0.9208 33.677  1.3782 -3.298019      1.657442  
1 1 1 8  13 6  o 35.294  0.7349 456.625   19.010  431.025   25.577   488.221   28.416   34.286  1.0178 36.489  1.0625 -2.203091      1.471307  
1 1 1 8  13 7  o 77.531  1.5239 2205.55   86.601  2153.14   119.876  2262.76   125.245  76.560  2.1362 78.481  2.1773 -1.921097      3.050260  
1 1 1 8  13 8  o 80.448  1.5789 2374.96   93.100  2423.30   134.430  2330.41   129.062  81.207  2.2585 79.639  2.2110 1.567085       3.160608  
1 1 1 8  13 9  o 27.595  0.8515 279.175   17.222  279.342   20.030   278.703   33.726   27.601  0.9901 27.504  1.6810 0.9686089E-01  1.950925  
1 1 1 8  13 10 o 15.817  0.6369 91.705    7.3839  82.193    9.5839   105.597   11.583   14.947  0.8787 16.944  0.9362 -1.997745      1.283994  
1 1 1 8  13 11 o 31.823  0.7281 371.247   16.983  372.452   22.704   369.718   25.589   31.870  0.9720 31.750  1.0996 0.1198044      1.467563  
1 1 1 8  13 12 o 52.280  1.0519 1002.40   40.309  940.752   62.153   1047.15   52.956   50.618  1.6753 53.421  1.3524 -2.803467      2.153051  
1 1 1 8  13 13 o 20.961  0.5391 161.053   8.2823  157.407   13.588   163.208   10.447   20.718  0.8948 21.099  0.6755 -0.3811302     1.121166  
1 1 1 8  13 14 o 67.780  1.5542 1687.36   77.211  1656.73   131.142  1703.61   95.522   67.020  2.6697 68.068  1.9146 -1.047501      3.285247  
1 1 1 8  13 15 o 61.786  1.3167 1401.53   59.626  1396.64   90.897   1405.22   78.999   61.604  2.0131 61.825  1.7433 -0.2209778     2.662980  
1 1 1 8  13 16 o 23.913  0.5826 209.653   10.211  187.027   15.667   226.361   13.463   22.578  0.9467 24.844  0.7393 -2.266352      1.201163  
1 1 1 8  13 17 o 40.675  0.8530 607.015   25.430  630.258   43.019   594.530   31.528   41.406  1.4175 40.242  1.0689 1.164043       1.775312  
1 1 1 8  13 18 o 20.736  0.5505 157.677   8.3671  150.690   13.577   161.955   10.624   20.261  0.9142 21.012  0.6898 -0.7509327     1.145288  
1 1 1 8  13 19 o 55.742  1.2049 1142.54   49.230  1067.20   70.536   1214.10   68.743   53.764  1.7899 57.380  1.6345 -3.616093      2.423924  
1 1 1 8  13 20 o 26.649  0.7337 260.630   14.331  259.267   20.466   261.942   20.075   26.559  1.0513 26.697  1.0259 -0.1385574     1.468921  
1 1 1 8  13 21 o 23.059  0.6228 195.084   10.525  192.907   13.837   198.072   16.214   22.920  0.8237 23.217  0.9528 -0.2969494     1.259456  
1 1 1 8  13 22 o 36.405  0.7849 486.653   20.944  474.798   28.818   499.924   30.492   35.925  1.0944 36.859  1.1286 -0.9338646     1.572127  
1 1 1 8  13 23 o 35.916  0.7786 473.742   20.496  460.713   28.129   488.491   29.927   35.384  1.0846 36.430  1.1208 -1.046112      1.559640  
1 1 1 8  13 24 o 17.824  0.6184 116.601   8.0792  109.068   12.127   122.612   10.833   17.193  0.9662 18.268  0.8091 -1.074696      1.260255  
1 1 1 8  13 25 o 8.9693  0.7238 29.747    4.7178  33.405    6.5797   25.876    6.7683   9.4788  0.9603 8.3009  1.1427 1.177875       1.492651  
1 1 1 8  13 26 o 7.2655  0.9570 19.777    4.9723  20.570    6.7685   18.847    7.3287   7.3500  1.3042 6.9999  1.4749 0.3501415      1.968828  
1 1 1 8  13 27 o 30.039  0.9740 332.651   21.444  336.787   29.649   328.115   31.053   30.145  1.3419 29.733  1.4249 0.4118252      1.957314  
1 1 1 8  14 0  o 163.223 4.5353 9839.59   541.634 9516.64   1045.20  9958.16   633.303  158.686 9.0537 163.982 5.2815 0.000000       0.000000  
1 1 1 8  14 1  o 148.781 2.9059 8148.85   316.896 8177.91   402.344  8101.37   514.310  148.842 3.6880 147.795 4.7477 1.047379       6.011821  
1 1 1 8  14 2  o 51.375  1.0213 967.821   38.457  996.021   50.028   927.088   60.126   52.109  1.3099 50.260  1.6321 1.848225       2.092755  
1 1 1 8  14 3  o 70.541  1.4875 1825.81   76.911  1798.02   100.488  1865.11   119.503  69.972  1.9593 71.239  2.2887 -1.266617      3.012809  
1 1 1 8  14 4  o 15.064  0.5509 83.175    6.0829  69.834    9.0408   94.209    8.2224   13.772  0.9006 16.031  0.6998 -2.259393      1.140519  
1 1 1 8  14 5  o 17.731  0.5350 115.240   6.9537  111.610   8.5294   122.434   12.008   17.449  0.6669 18.274  0.8965 -0.8247509     1.117366  
1 1 1 8  14 6  o 64.099  1.2658 1507.14   59.469  1544.26   86.098   1473.27   82.237   64.853  1.8113 63.348  1.7712 1.505657       2.533310  
1 1 1 8  14 7  o 54.009  1.0780 1069.75   42.674  1040.82   58.784   1101.97   62.048   53.257  1.5059 54.797  1.5449 -1.540077      2.157429  
1 1 1 8  14 8  o 90.415  1.7756 3001.78   117.669 2839.55   157.483  3206.83   177.050  87.861  2.4455 93.349  2.5876 -5.488731      3.560352  
1 1 1 8  14 9  o 12.611  0.5195 58.293    4.8016  59.254    6.5343   57.164    7.0794   12.694  0.7051 12.463  0.7789 0.2313614      1.050647  
1 1 1 8  14 10 o 60.203  1.5208 1330.35   67.105  1292.18   84.551   1395.32   110.306  59.303  1.9452 61.578  2.4439 -2.275455      3.123547  
1 1 1 8  14 11 o 14.779  0.6685 80.072    7.2418  90.763    17.531   77.872    7.9520   15.647  1.5490 14.555  0.7479 1.092228       1.720078  
1 1 1 8  14 12 o 74.588  1.4717 2042.61   80.456  2073.60   133.351  2024.88   100.887  75.033  2.4247 74.223  1.8544 0.8099060      3.052582  
1 1 1 8  14 13 o 62.502  1.2449 1433.81   57.028  1438.01   93.324   1431.31   72.045   62.513  2.0367 62.419  1.5747 0.9488678E-01  2.574519  
1 1 1 8  14 14 o 38.560  1.0055 545.534   28.419  493.689   57.155   562.562   32.756   36.548  2.1430 39.151  1.1415 -2.603405      2.428019  
1 1 1 8  14 15 o 20.452  0.5343 153.344   8.0100  167.358   14.021   146.554   9.7594   21.358  0.8956 19.991  0.6660 1.366758       1.116128  
1 1 1 8  14 16 o 43.143  0.8897 683.031   28.133  728.477   48.790   660.396   34.434   44.503  1.4958 42.407  1.1078 2.095703       1.861330  
1 1 1 8  14 17 o 13.331  0.5255 65.166    5.1349  62.349    8.2831   66.925    6.5441   13.004  0.8741 13.508  0.6610 -0.5034494     1.095881  
1 1 1 8  14 18 o 53.789  1.0938 1063.38   43.124  1003.65   66.994   1105.64   56.351   52.139  1.7530 54.797  1.4030 -2.657619      2.245370  
1 1 1 8  14 19 o 9.4347  0.6203 32.797    4.2658  40.635    7.0878   28.346    5.3415   10.476  0.9328 8.7457  0.8437 1.730426       1.257800  
1 1 1 8  14 20 o 37.075  1.0107 505.313   27.466  543.565   46.828   485.253   33.911   38.350  1.6659 36.298  1.2746 2.051872       2.097632  
1 1 1 8  14 21 o 36.576  1.0964 492.221   29.394  477.988   39.761   509.375   43.649   35.980  1.5077 37.124  1.6041 -1.144272      2.201454  
1 1 1 8  14 22 o 34.514  0.7529 437.456   19.046  436.067   26.717   438.891   27.159   34.425  1.0588 34.535  1.0729 -0.1094437     1.507406  
1 1 1 8  14 23 o 19.354  0.5627 137.443   7.9817  148.573   11.695   127.741   10.920   20.110  0.7935 18.646  0.7990 1.463417       1.126052  
1 1 1 8  14 24 o 11.463  0.6088 48.373    5.0966  49.043    6.9479   47.594    7.4989   11.520  0.8283 11.338  0.9100 0.1821651      1.230556  
1 1 1 8  14 25 o 17.037  0.5644 106.565   7.0474  109.279   9.9187   103.798   10.015   17.238  0.7850 16.798  0.8134 0.4400196      1.130452  
1 1 1 8  14 26 o 3.7482  1.3255 4.5370    4.5477  4.3354    6.3083   4.7553    6.5620   4.0498  1.5390 4.1707  1.5733 -0.1208820     2.200822  
1 1 1 8  14 27 o 7.9915  1.1969 24.131    6.7950  13.426    11.355   30.102    8.4811   6.1761  2.0992 8.9157  1.3392 -2.739619      2.490032  
1 1 1 8  15 0  o 34.353  1.0115 433.755   25.419  424.888   49.227   436.979   29.682   33.854  1.9999 34.463  1.1782 0.000000       0.000000  
1 1 1 8  15 1  o 87.420  1.7191 2805.73   110.150 2730.29   151.704  2889.86   160.195  86.164  2.4021 88.638  2.4657 -2.473930      3.442359  
1 1 1 8  15 2  o 71.092  1.3985 1854.41   72.871  1885.02   93.529   1807.12   116.247  71.650  1.7809 70.113  2.2621 1.537277       2.879012  
1 1 1 8  15 3  o 15.707  0.6329 90.438    7.2865  132.153   21.251   84.881    7.7567   18.913  1.5466 15.216  0.6955 3.696149       1.695752  
1 1 1 8  15 4  o 43.911  1.2495 707.324   40.213  685.127   55.241   732.347   58.653   43.196  1.7448 44.657  1.7919 -1.461407      2.501031  
1 1 1 8  15 5  o 44.392  0.9608 722.652   31.263  709.378   40.883   741.346   48.517   43.973  1.2685 44.945  1.4728 -0.9716988     1.943708  
1 1 1 8  15 6  o 122.325 2.3924 5504.86   214.504 5615.92   309.339  5401.99   297.704  123.305 3.4227 120.952 3.3581 2.353661       4.794973  
1 1 1 8  15 7  o 35.059  0.7830 450.656   20.121  444.845   26.612   458.413   30.744   34.827  1.0425 35.350  1.1866 -0.5231934     1.579483  
1 1 1 8  15 8  o 82.439  1.6223 2495.43   98.027  2459.85   137.126  2532.61   140.186  81.773  2.2879 82.971  2.3051 -1.198196      3.247757  
1 1 1 8  15 9  f 29.304  0.6411 314.812   13.771  296.426   18.634   336.938   20.441   28.431  0.8942 30.311  0.9201 -1.880051      1.282991  
1 1 1 8  15 10 o 60.011  1.3814 1322.01   60.762  1375.62   77.281   1235.21   98.333   61.188  1.7232 57.921  2.3162 3.266609       2.886894  
1 1 1 8  15 11 o 26.457  0.6927 256.640   13.433  254.723   19.518   258.365   18.515   26.351  1.0106 26.540  0.9518 -0.1891975     1.388241  
1 1 1 8  15 12 f 76.478  1.5095 2148.89   84.617  2302.60   147.655  2073.73   103.254  78.982  2.5506 75.077  1.8764 3.904755       3.166430  
1 1 1 8  15 13 o 65.420  1.2993 1571.79   62.303  1572.93   101.903  1571.10   78.732   65.328  2.1282 65.365  1.6433 -0.3656769E-01 2.688799  
1 1 1 8  15 14 o 46.986  1.3421 811.254   46.220  789.484   89.168   819.252   54.047   46.098  2.6502 47.195  1.5624 -1.096207      3.076468  
1 1 1 8  15 15 o 26.700  0.6125 261.432   11.987  261.591   19.934   261.342   15.003   26.692  1.0189 26.690  0.7669 0.1880646E-02  1.275280  
1 1 1 8  15 16 o 50.478  1.0218 935.923   37.803  938.781   62.125   934.242   47.638   50.457  1.6798 50.399  1.2896 0.5878830E-01  2.117754  
1 1 1 8  15 17 o 40.086  0.8350 589.960   24.533  577.265   39.512   597.924   31.297   39.594  1.3615 40.334  1.0586 -0.7401619     1.724645  
1 1 1 8  15 18 o 42.140  0.8730 652.241   26.965  635.408   43.214   662.975   34.508   41.518  1.4201 42.457  1.1089 -0.9393654     1.801739  
1 1 1 8  15 19 o 41.604  0.8668 635.862   26.433  643.109   43.817   631.715   33.143   41.753  1.4318 41.438  1.0912 0.3143845      1.800208  
1 1 1 8  15 20 o 20.950  0.7409 161.152   11.377  159.388   18.812   162.169   14.285   20.763  1.2419 21.004  0.9279 -0.2418785     1.550233  
1 1 1 8  15 21 o 33.961  0.9327 424.053   23.217  420.017   49.262   425.206   26.324   33.543  2.0130 33.991  1.0566 -0.4483833     2.273413  
1 1 1 8  15 22 o 33.023  0.7306 400.508   17.684  412.207   29.839   394.175   21.956   33.437  1.2175 32.740  0.9149 0.6968727      1.522975  
1 1 1 8  15 23 o 13.650  0.5901 68.390    5.9041  65.393    8.1803   71.649    8.5299   13.309  0.8429 13.934  0.8391 -0.6249771     1.189340  
1 1 1 8  15 24 o 15.680  0.6096 90.291    7.0061  88.808    9.2487   92.289    10.732   15.516  0.8161 15.803  0.9307 -0.2867374     1.237809  
1 1 1 8  15 25 o 8.0070  0.8747 23.891    5.0499  19.184    6.3206   32.199    8.3971   7.0950  1.2616 9.2403  1.2737 -2.145234      1.792771  
1 1 1 8  15 26 o 10.393  0.7203 39.917    5.4535  40.527    7.5923   39.266    7.8385   10.432  1.0054 10.258  1.0577 0.1739197      1.459253  
1 1 1 8  16 0  o 64.513  1.8132 1530.67   85.583  1636.84   181.248  1500.21   97.089   66.350  3.7544 63.830  2.0802 0.000000       0.000000  
1 1 1 8  16 1  o 27.255  0.5894 272.297   11.773  269.092   16.564   275.568   16.738   27.090  0.8342 27.415  0.8330 -0.3240795     1.178872  
1 1 1 8  16 2  o 99.155  1.9422 3612.98   141.154 3737.17   184.508  3437.71   219.183  100.756 2.4984 96.518  3.0983 4.237495       3.980114  
1 1 1 8  16 3  o 65.672  1.4961 1583.16   72.014  1607.60   103.683  1560.38   100.099  66.121  2.1394 65.147  2.0963 0.9740524      2.995248  
1 1 1 8  16 4  o 66.165  1.6568 1607.67   80.349  1528.52   98.835   1761.92   137.980  64.477  2.0914 69.146  2.7225 -4.669662      3.433036  
1 1 1 8  16 5  o 101.277 1.9856 3770.40   147.394 3911.71   215.635  3646.48   201.932  102.991 2.8565 99.457  2.7701 3.534378       3.979067  
1 1 1 8  16 6  o 128.710 2.5260 6102.60   238.296 6022.93   332.682  6186.54   341.495  127.544 3.5587 129.247 3.6048 -1.703651      5.065450  
1 1 1 8  16 7  o 23.633  0.5491 204.745   9.5112  209.263   13.807   200.666   13.121   23.889  0.7885 23.394  0.7652 0.4954700      1.098787  
1 1 1 8  16 8  o 32.165  0.6873 379.333   16.203  359.018   22.080   403.041   23.852   31.286  0.9629 33.148  0.9817 -1.862083      1.375100  
1 1 1 8  16 9  o 23.052  0.5451 194.814   9.2102  188.986   12.925   200.827   13.128   22.701  0.7768 23.402  0.7654 -0.7005920     1.090476  
1 1 1 8  16 10 o 98.789  2.2433 3597.10   162.430 3530.19   195.164  3747.93   293.003  97.733  2.7244 100.221 3.9887 -2.488564      4.830348  
1 1 1 8  16 11 o 27.618  0.7899 279.761   15.989  274.062   20.685   288.220   25.202   27.328  1.0327 28.017  1.2273 -0.6892338     1.603952  
1 1 1 8  16 12 o 29.179  0.6916 312.250   14.791  298.862   19.287   331.369   23.049   28.539  0.9220 30.046  1.0466 -1.506676      1.394810  
1 1 1 8  16 13 o 33.302  0.7134 406.799   17.415  394.331   27.838   414.815   22.322   32.765  1.1592 33.620  0.9058 -0.8553085     1.471143  
1 1 1 8  16 14 o 29.567  0.7652 320.766   16.583  319.987   28.606   321.159   20.352   29.496  1.3232 29.576  0.9388 -0.8022499E-01 1.622389  
1 1 1 8  16 15 o 58.585  1.1732 1262.04   50.379  1228.82   80.507   1283.42   64.588   57.651  1.9052 59.018  1.4931 -1.366673      2.420576  
1 1 1 8  16 16 o 40.773  0.8449 610.464   25.252  608.972   41.376   611.349   31.876   40.655  1.3885 40.779  1.0665 -0.1236420     1.750799  
1 1 1 8  16 17 o 22.758  0.5693 189.997   9.4959  180.050   15.364   196.146   12.079   22.134  0.9470 23.116  0.7129 -0.9823589     1.185385  
1 1 1 8  16 18 o 28.668  0.6527 301.642   13.715  289.468   21.939   309.452   17.572   28.050  1.0671 29.024  0.8260 -0.9747143     1.349444  
1 1 1 8  16 19 o 29.245  0.6666 313.961   14.289  332.381   24.540   304.512   17.575   30.047  1.1143 28.789  0.8329 1.258358       1.391173  
1 1 1 8  16 20 o 26.632  0.7325 260.473   14.299  262.871   20.473   258.190   19.979   26.725  1.0452 26.487  1.0291 0.2372856      1.466780  
1 1 1 8  16 21 o 29.325  0.7214 315.861   15.506  294.990   22.788   333.858   21.161   28.299  1.0987 30.124  0.9584 -1.825054      1.457934  
1 1 1 8  16 22 f 7.8004  0.8438 22.635    4.7474  32.009    7.6874   16.857    6.0358   9.2445  1.1601 6.6447  1.2858 2.599802       1.731781  
1 1 1 8  16 23 o 16.107  0.5520 95.254    6.5164  101.647   11.017   91.813    8.0818   16.589  0.9095 15.805  0.6976 0.7836571      1.146278  
1 1 1 8  16 24 o 4.5864  1.2249 8.0581    4.1955  11.786    5.8957   4.2332    5.9718   5.5304  1.4402 3.9631  1.4994 1.567391       2.079061  
1 1 1 8  16 25 o 30.683  0.7112 346.314   15.995  363.703   23.438   331.156   21.882   31.383  1.0189 29.950  0.9968 1.432186       1.425423  
1 1 1 8  17 0  o 73.082  2.0481 1965.61   109.514 2310.09   254.397  1887.25   121.332  78.681  4.4436 71.564  2.3187 0.000000       0.000000  
1 1 1 8  17 1  o 49.427  0.9857 896.106   35.712  876.735   49.520   917.095   51.549   48.870  1.3825 49.980  1.4071 -1.110626      1.972651  
1 1 1 8  17 2  o 32.198  0.6781 380.093   16.003  359.439   21.759   404.429   23.619   31.305  0.9483 33.206  0.9704 -1.900812      1.356841  
1 1 1 8  17 3  o 27.212  0.6894 271.492   13.750  255.890   18.859   289.199   20.091   26.412  0.9742 28.079  0.9762 -1.666422      1.379103  
1 1 1 8  17 4  o 34.598  0.9022 439.040   22.879  423.231   28.666   466.784   37.974   33.961  1.1516 35.652  1.4532 -1.691090      1.854137  
1 1 1 8  17 5  o 28.976  0.6296 307.823   13.371  316.419   19.680   300.453   18.223   29.371  0.9142 28.622  0.8686 0.7494144      1.261053  
1 1 1 8  17 6  o 48.822  0.9795 874.453   35.050  882.285   50.068   866.926   49.083   49.014  1.3937 48.586  1.3783 0.4273682      1.960088  
1 1 1 8  17 7  o 54.994  1.0956 1109.91   44.163  1080.80   61.006   1141.95   64.013   54.232  1.5348 55.741  1.5668 -1.509773      2.193246  
1 1 1 8  17 8  f 43.769  0.8898 702.792   28.548  693.530   40.105   712.305   40.645   43.458  1.2591 44.043  1.2591 -0.5843086     1.780587  
1 1 1 8  17 9  f 48.599  0.9769 866.706   34.800  855.064   48.734   878.819   49.710   48.240  1.3783 48.905  1.3868 -0.6647186     1.955208  
1 1 1 8  17 10 o 88.743  1.8669 2901.58   121.431 2869.61   159.161  2946.10   187.840  88.078  2.4654 89.095  2.8764 -1.017288      3.788399  
1 1 1 8  17 11 o 54.878  1.3966 1107.50   56.177  1082.98   71.205   1147.92   91.426   54.206  1.7922 55.719  2.2386 -1.512745      2.867654  
1 1 1 8  17 12 o 69.256  1.5882 1766.90   80.619  1812.68   117.114  1725.68   111.145  69.955  2.2841 68.275  2.2210 1.679565       3.185860  
1 1 1 8  17 13 o 23.210  0.6500 197.624   11.059  201.290   19.810   195.965   13.329   23.399  1.1551 23.107  0.7870 0.2919159      1.397676  
1 1 1 8  17 14 o 19.030  0.5198 132.819   7.2503  129.997   11.985   134.448   9.1055   18.814  0.8691 19.142  0.6490 -0.3282070     1.084665  
1 1 1 8  17 15 o 50.457  1.0251 935.987   37.912  964.194   63.818   920.604   47.130   51.068  1.7050 49.995  1.2861 1.073536       2.135661  
1 1 1 8  17 16 o 23.971  0.5779 210.822   10.153  213.150   17.076   209.549   12.628   24.077  0.9676 23.890  0.7212 0.1869030      1.206803  
1 1 1 8  17 17 o 34.508  0.7406 437.295   18.733  427.965   30.228   443.112   23.869   34.080  1.2101 34.716  0.9380 -0.6352272     1.531096  
1 1 1 8  17 18 o 26.423  0.8137 256.544   15.759  248.705   25.420   261.437   20.084   25.924  1.3424 26.653  1.0280 -0.7290516     1.690829  
1 1 1 8  17 19 o 36.125  0.7782 479.481   20.604  467.388   33.055   487.165   26.349   35.591  1.2671 36.385  0.9880 -0.7934227     1.606785  
1 1 1 8  17 20 o 11.729  0.6915 50.700    5.9188  41.783    8.9009   57.769    7.9247   10.582  1.1670 12.504  0.8701 -1.921832      1.455696  
1 1 1 8  17 21 o 15.891  0.6607 92.756    7.6957  98.588    15.623   90.888    8.8428   16.276  1.3210 15.724  0.7673 0.5520220      1.527662  
1 1 1 8  17 22 o 41.431  0.8733 632.088   26.521  625.748   43.190   635.926   33.603   41.058  1.4352 41.498  1.1048 -0.4403076     1.811161  
1 1 1 8  17 23 o 23.531  0.6064 203.452   10.458  191.814   16.549   211.191   13.495   22.798  0.9904 23.955  0.7686 -1.157204      1.253600  
1 1 1 8  17 24 f 9.4205  0.7000 32.826    4.7990  35.282    7.7702   31.312    6.1018   9.7033  1.1126 9.1678  0.9205 0.5354385      1.444039  
1 1 1 8  18 0  o 110.191 3.0725 4485.94   247.714 4230.04   466.250  4586.57   292.395  105.754 6.0606 111.259 3.5940 0.000000       0.000000  
1 1 1 8  18 1  o 5.6399  0.7282 11.859    2.9398  6.3037    4.2787   16.826    4.0461   4.1503  1.2795 6.7208  0.8397 -2.570517      1.530451  
1 1 1 8  18 2  o 20.846  0.5003 159.307   7.6435  160.796   11.113   157.971   10.530   20.940  0.7241 20.756  0.6922 0.1841736      1.001673  
1 1 1 8  18 3  o 20.462  0.5739 153.508   8.6072  150.227   15.517   154.966   10.345   20.205  1.0514 20.557  0.6865 -0.3521900     1.255705  
1 1 1 8  18 4  f 63.938  1.5997 1503.32   74.967  1459.69   94.128   1578.99   123.969  62.937  2.0405 65.349  2.5882 -2.411808      3.295792  
1 1 1 8  18 5  o 29.130  0.6292 311.145   13.433  307.349   18.967   314.966   19.028   28.944  0.8941 29.300  0.8860 -0.3567448     1.258721  
1 1 1 8  18 6  o 30.490  0.6497 340.907   14.519  336.043   20.490   345.812   20.578   30.262  0.9237 30.699  0.9145 -0.4371357     1.299854  
1 1 1 8  18 7  o 39.540  0.8173 573.574   23.686  585.903   34.488   562.566   32.586   39.941  1.1781 39.140  1.1359 0.8005066      1.636470  
1 1 1 8  18 8  o 57.432  1.1434 1211.56   48.133  1259.55   70.746   1170.19   65.676   58.486  1.6503 56.383  1.5892 2.103107       2.291095  
1 1 1 8  18 9  o 17.961  0.4859 118.276   6.3963  121.421   9.4294   115.596   8.7053   18.193  0.7071 17.752  0.6690 0.4408379      0.9734586 
1 1 1 8  18 10 f 11.763  0.4856 50.739    4.1867  58.828    6.4825   44.951    5.4839   12.643  0.7023 11.048  0.6805 1.594895       0.9779012 
1 1 1 8  18 11 o 50.930  1.1892 953.961   44.394  955.523   54.569   950.905   76.343   50.926  1.4619 50.671  2.0556 0.2547913      2.522417  
1 1 1 8  18 12 o 64.050  1.4767 1512.84   69.323  1568.30   101.869  1465.01   94.608   64.992  2.1385 62.847  2.0538 2.145226       2.965008  
1 1 1 8  18 13 o 28.814  0.8926 305.032   18.852  305.748   36.516   304.772   22.013   28.696  1.7444 28.789  1.0432 -0.9295082E-01 2.032576  
1 1 1 8  18 14 o 31.614  0.8865 367.292   20.542  359.057   32.817   372.597   26.340   31.189  1.4356 31.815  1.1296 -0.6259708     1.826692  
1 1 1 8  18 15 o 37.434  0.8406 514.958   23.066  513.481   35.441   516.044   30.380   37.311  1.2959 37.437  1.1072 -0.1254692     1.704485  
1 1 1 8  18 16 o 41.462  0.8616 631.886   26.182  637.079   43.455   628.926   32.806   41.524  1.4278 41.329  1.0830 0.1950645      1.792045  
1 1 1 8  18 17 o 29.063  0.6561 310.124   13.977  327.668   24.138   301.273   17.144   29.823  1.1042 28.631  0.8169 1.192669       1.373581  
1 1 1 8  18 18 o 28.151  0.6446 290.979   13.301  279.651   21.408   298.101   16.975   27.553  1.0601 28.477  0.8132 -0.9244022     1.336063  
1 1 1 8  18 19 o 30.768  0.6911 347.747   15.586  355.546   26.211   343.481   19.386   31.046  1.1519 30.558  0.8655 0.4877892      1.440810  
1 1 1 8  18 20 o 18.550  0.7308 126.479   9.9363  114.268   16.486   133.446   12.452   17.530  1.2922 19.040  0.8923 -1.509813      1.570307  
1 1 1 8  18 21 o 36.678  1.0196 496.478   27.411  477.583   42.987   509.426   35.584   35.777  1.6393 37.070  1.3096 -1.292835      2.098182  
1 1 1 8  18 22 o 36.855  0.7980 500.230   21.558  480.776   34.352   512.870   27.689   35.986  1.3024 37.263  1.0138 -1.276180      1.650442  
1 1 1 8  18 23 o 24.892  0.6211 227.810   11.333  233.123   19.073   224.911   14.090   25.109  1.0364 24.711  0.7779 0.3981514      1.295846  
1 1 1 8  19 0  o 65.066  1.8404 1559.63   87.612  1293.03   145.022  1712.85   109.942  58.832  3.3888 68.120  2.2072 0.000000       0.000000  
1 1 1 8  19 1  o 69.605  1.3736 1781.17   70.080  1764.92   98.322   1797.95   99.915   69.178  1.9391 69.819  1.9524 -0.6411819     2.751731  
1 1 1 8  19 2  o 31.584  0.6649 365.866   15.393  372.619   22.284   359.704   21.288   31.862  0.9542 31.306  0.9278 0.5557079      1.330884  
1 1 1 8  19 3  o 50.583  1.1698 939.966   43.372  1002.56   80.272   914.160   51.543   52.099  2.1021 49.856  1.4105 2.242622       2.531487  
1 1 1 8  19 4  f 51.664  1.1968 980.818   45.322  900.163   72.483   1032.59   58.075   49.376  2.0028 52.970  1.4958 -3.594742      2.499745  
1 1 1 8  19 5  f 63.280  1.2533 1472.11   58.130  1517.00   84.741   1432.21   79.890   64.130  1.8028 62.324  1.7489 1.806107       2.511706  
1 1 1 8  19 6  o 17.579  0.4764 113.305   6.1384  119.836   9.3169   108.295   8.1597   18.073  0.7033 17.182  0.6479 0.8909607      0.9562576 
1 1 1 8  19 7  o 21.651  0.5221 171.898   8.2851  175.509   12.142   168.751   11.334   21.869  0.7575 21.446  0.7210 0.4238338      1.045779  
1 1 1 8  19 8  o 41.301  0.8448 626.263   25.573  618.852   35.861   633.932   36.479   41.019  1.1928 41.515  1.1988 -0.4960251     1.691113  
1 1 1 8  19 9  o 61.836  1.2322 1407.35   55.850  1406.08   79.137   1408.61   78.831   61.674  1.7506 61.732  1.7422 -0.5813217E-01 2.469820  
1 1 1 8  19 10 o 36.897  1.0978 500.803   29.690  531.876   36.377   438.808   51.382   37.995  1.3062 34.318  2.0521 3.676426       2.432575  
1 1 1 8  19 11 o 39.221  0.8704 565.185   25.022  566.654   33.379   563.302   37.805   39.233  1.1607 39.091  1.3195 0.1419334      1.757349  
1 1 1 8  19 12 o 23.851  0.6737 208.822   11.777  205.055   16.793   212.468   16.520   23.614  0.9703 24.039  0.9376 -0.4257374     1.349240  
1 1 1 8  19 13 o 25.273  0.8054 234.699   14.919  224.039   20.345   247.096   21.941   24.662  1.1255 25.896  1.1560 -1.234344      1.613419  
1 1 1 8  19 14 o 26.908  0.6159 265.763   12.147  259.604   19.948   269.392   15.313   26.556  1.0249 27.078  0.7715 -0.5219765     1.282803  
1 1 1 8  19 15 f 42.052  0.8684 650.250   26.766  650.773   44.074   649.945   33.689   41.947  1.4335 42.000  1.0944 -0.5307388E-01 1.803467  
1 1 1 8  19 16 o 44.608  0.9157 732.137   29.941  745.380   50.014   724.740   37.379   44.855  1.5213 44.332  1.1503 0.5229263      1.907232  
1 1 1 8  19 17 o 18.902  0.5300 131.122   7.3434  127.189   12.172   133.373   9.2079   18.593  0.8932 19.056  0.6592 -0.4637775     1.110124  
1 1 1 8  19 18 o 18.477  0.5329 125.318   7.2178  119.482   11.903   128.712   9.0772   17.993  0.9054 18.718  0.6616 -0.7248573     1.121380  
1 1 1 8  19 19 o 42.563  0.8870 667.155   27.673  717.396   48.475   642.867   33.705   43.938  1.5052 41.727  1.1020 2.211151       1.865528  
1 1 1 8  19 20 o 5.0270  1.1403 9.7172    4.1050  11.312    5.9464   8.2655    5.6740   5.4221  1.4626 4.7273  1.4761 0.6948013      2.078012  
1 1 1 8  19 21 o 8.4325  0.9523 26.582    5.7829  31.361    11.840   25.085    6.6271   8.9664  1.8624 8.1530  1.1402 0.8133793      2.183738  
1 1 1 8  19 22 o 18.902  0.5559 131.296   7.7012  126.700   12.558   134.067   9.7497   18.523  0.9250 19.085  0.6970 -0.5623264     1.158187  
1 1 1 8  20 0  o 19.185  0.6772 135.473   9.4955  127.351   17.399   138.919   11.332   18.487  1.2988 19.413  0.7995 0.000000       0.000000  
1 1 1 8  20 1  o 19.048  0.4775 133.045   6.6670  132.593   9.4939   133.486   9.3646   19.010  0.6814 19.074  0.6698 -0.6424522E-01 0.9554777 
1 1 1 8  20 2  o 10.311  0.4661 38.984    3.5222  38.884    5.2577   39.067    4.7441   10.270  0.7027 10.300  0.6314 -0.3006744E-01 0.9447208 
1 1 1 8  20 3  f 5.9697  0.8106 13.323    3.4552  9.5020    7.6542   14.301    3.8722   5.2036  1.7230 6.1787  0.8799 -0.9751410     1.934699  
1 1 1 8  20 4  o 19.858  0.6203 144.675   9.0285  140.096   14.198   147.784   11.699   19.500  0.9967 20.064  0.7955 -0.5639038     1.275240  
1 1 1 8  20 5  f 21.786  0.7401 174.217   11.818  174.921   13.992   172.466   22.076   21.823  0.8748 21.586  1.4029 0.2364292      1.653298  
1 1 1 8  20 6  o 13.447  0.4705 66.309    4.6368  65.615    6.8000   66.913    6.3391   13.352  0.6972 13.504  0.6405 -0.1514254     0.9467483 
1 1 1 8  20 7  o 9.7757  0.5045 35.146    3.6027  39.898    5.6140   31.818    4.6977   10.398  0.7415 9.2843  0.6954 1.113771       1.016524  
1 1 1 8  20 8  o 47.600  0.9618 833.110   33.557  860.324   48.984   809.046   46.064   48.286  1.3841 46.834  1.3419 1.451530       1.927766  
1 1 1 8  20 9  o 69.244  1.3756 1769.51   69.818  1810.99   100.966  1731.51   96.650   69.793  1.9737 68.265  1.9316 1.528351       2.761661  
1 1 1 8  20 10 o 34.866  0.7355 446.486   18.796  469.605   27.954   427.409   25.393   35.714  1.0679 34.079  1.0166 1.634861       1.474397  
1 1 1 8  20 11 o 21.007  0.5247 161.926   8.0790  160.889   11.650   162.886   11.213   20.926  0.7596 21.058  0.7265 -0.1316948     1.051063  
1 1 1 8  20 12 o 22.130  0.6947 179.865   11.267  192.224   15.437   165.774   16.483   22.858  0.9214 21.214  1.0601 1.643955       1.404522  
1 1 1 8  20 13 o 23.744  0.9422 207.484   16.397  198.964   20.403   223.027   27.557   23.190  1.2045 24.485  1.5434 -1.294353      1.957784  
1 1 1 8  20 14 f 8.7170  0.5862 28.021    3.7237  34.671    5.7528   23.226    4.8850   9.6761  0.8188 7.9005  0.8574 1.775627       1.185556  
1 1 1 8  20 15 o 7.7963  0.6603 22.486    3.7375  14.893    6.3025   26.604    4.6418   6.2204  1.4143 8.4741  0.7552 -2.253686      1.603348  
1 1 1 8  20 16 o 37.082  0.7833 505.659   21.291  522.721   36.186   496.625   26.330   37.586  1.3135 36.714  0.9785 0.8722038      1.637895  
1 1 1 8  20 17 o 11.078  0.5504 45.056    4.4689  47.458    7.8377   43.899    5.4398   11.308  0.9545 10.908  0.6839 0.4006348      1.174226  
1 1 1 8  20 18 o 19.345  0.5413 137.435   7.6752  133.621   12.663   139.650   9.6497   19.039  0.9074 19.489  0.6755 -0.4501305     1.131271  
1 1 1 8  20 19 f 13.579  0.5725 67.761    5.6979  68.213    9.3217   67.491    7.1995   13.561  0.9437 13.522  0.7291 0.3960037E-01  1.192559  
1 1 1 8  20 20 o 14.284  0.5542 74.988    5.8027  66.536    9.4780   80.055    7.3389   13.382  0.9730 14.749  0.6789 -1.366771      1.186395  
1 1 1 8  20 21 o 13.718  0.6577 69.256    6.6132  69.383    9.2838   69.125    9.4226   13.671  0.9320 13.643  0.9482 0.2853680E-01  1.329564  
1 1 1 8  21 0  o 13.765  0.6230 69.910    6.2562  69.944    11.535   69.896    7.4466   13.649  1.1729 13.743  0.7442 0.000000       0.000000  
1 1 1 8  21 1  o 24.843  0.5607 226.453   10.210  220.941   14.297   232.191   14.587   24.525  0.7953 25.142  0.7916 -0.6168747     1.122125  
1 1 1 8  21 2  o 19.520  0.6046 139.824   8.6497  159.092   20.948   135.864   9.4972   20.715  1.3877 19.238  0.6735 1.477249       1.542477  
1 1 1 8  21 3  o 23.293  0.8753 199.431   14.945  0.0000    0.0000   199.431   14.945   ?       ?      23.293  0.8753 0.000000       0.8753311 
1 1 1 8  21 4  o 37.116  0.8892 506.415   24.190  472.118   39.892   526.361   30.421   35.731  1.5232 37.809  1.0977 -2.078197      1.877555  
1 1 1 8  21 5  o 41.371  0.8437 629.009   25.585  645.162   43.152   620.253   31.772   41.794  1.4087 41.049  1.0560 0.7446213      1.760526  
1 1 1 8  21 6  o 33.534  0.7071 412.969   17.379  392.796   27.679   426.095   22.328   32.648  1.1567 34.041  0.8949 -1.393517      1.462447  
1 1 1 8  21 7  o 21.657  0.5254 172.101   8.3404  170.249   12.013   173.825   11.589   21.526  0.7614 21.753  0.7268 -0.2274151     1.052618  
1 1 1 8  21 8  o 30.499  0.6562 341.578   14.668  338.450   20.834   344.653   20.655   30.327  0.9373 30.606  0.9208 -0.2788353     1.313864  
1 1 1 8  21 9  o 16.674  0.4833 102.010   5.9069  96.951    8.4207   106.911   8.2882   16.245  0.7072 17.062  0.6628 -0.8165398     0.9692090 
1 1 1 8  21 10 o 9.1290  0.5403 30.693    3.5992  33.002    5.4481   28.905    4.7943   9.4416  0.7947 8.8374  0.7472 0.6041422      1.090741  
1 1 1 8  21 11 o 3.1194  1.0911 3.1758    3.0751  0.8176    4.7373   4.8932    4.0426   3.0745  1.2770 3.7496  1.2527 -0.6750908     1.788786  
1 1 1 8  21 12 o 15.447  0.5488 87.591    6.2135  99.434    11.771   83.017    7.3158   16.400  0.9838 15.033  0.6640 1.367311       1.186859  
1 1 1 8  21 13 o 24.712  0.7544 224.518   13.664  242.550   19.101   205.619   19.555   25.651  1.0159 23.602  1.1304 2.049732       1.519857  
1 1 1 8  21 14 o 18.957  0.6099 131.993   8.4751  129.273   12.999   134.003   11.177   18.708  0.9512 19.086  0.7990 -0.3782291     1.242188  
1 1 1 8  21 15 o 43.731  0.9025 704.560   28.928  722.055   48.723   695.034   35.951   44.065  1.5086 43.370  1.1309 0.6945839      1.885409  
1 1 1 8  21 16 o 5.1412  0.9742 10.070    3.5365  4.1027    6.1206   13.061    4.3331   3.9688  1.5141 5.8606  1.0472 -1.891782      1.840902  
1 1 1 8  21 17 o 16.116  0.5178 95.396    6.1168  106.467   10.964   90.392    7.3705   16.966  0.8847 15.678  0.6414 1.288222       1.092718  
1 1 1 8  21 18 o 13.421  0.5298 66.188    5.2122  64.906    8.8469   66.870    6.4507   13.225  0.9184 13.481  0.6528 -0.2561378     1.126750  
1 1 1 8  21 19 o 3.0676  1.2377 1.5806    4.2921  6.8567    6.9654   -1.6491   5.4497   4.5866  1.6385 2.9215  1.2918 1.665104       2.086501  
1 1 1 8  21 20 o 12.732  0.5595 59.595    5.2212  61.712    8.8177   58.452    6.4791   12.885  0.9402 12.578  0.7057 0.3072691      1.175529  
1 1 1 8  22 0  o 22.522  0.7402 186.748   12.189  178.656   22.759   190.003   14.434   21.885  1.4329 22.698  0.8705 0.000000       0.000000  
1 1 1 8  22 1  o 6.8064  0.5800 17.130    2.8661  15.970    4.1387   18.198    3.9730   6.5293  0.8878 6.9918  0.7891 -0.4625072     1.187802  
1 1 1 8  22 2  o 14.412  0.4537 76.197    4.7926  71.316    6.8121   80.980    6.7440   13.934  0.6670 14.851  0.6196 -0.9163666     0.9103486 
1 1 1 8  22 3  o 30.655  0.7561 345.403   16.989  370.062   46.244   341.556   18.267   31.391  2.0206 30.477  0.8177 0.9144192      2.179817  
1 1 1 8  22 4  o 30.863  0.7597 350.130   17.185  342.819   29.541   353.870   21.128   30.448  1.3237 31.005  0.9297 -0.5572414     1.617572  
1 1 1 8  22 5  o 39.546  0.8125 575.096   23.552  566.779   38.411   580.106   29.814   39.144  1.3388 39.677  1.0252 -0.5334549     1.686200  
1 1 1 8  22 6  o 37.958  0.7858 529.754   21.863  531.963   36.323   528.499   27.377   37.928  1.3066 37.877  0.9861 0.5046844E-01  1.636978  
1 1 1 8  22 7  o 16.206  0.4725 96.370    5.6125  90.053    9.6054   99.645    6.9160   15.623  0.8419 16.475  0.5727 -0.8514366     1.018264  
1 1 1 8  22 8  o 16.630  0.4730 101.474   5.7654  106.261   8.7363   97.780    7.6737   17.005  0.7009 16.316  0.6417 0.6891232      0.9503045 
1 1 1 8  22 9  o 8.1893  0.5587 24.736    3.3333  24.570    5.2835   24.846    4.2962   8.1195  0.9031 8.1899  0.7231 -0.7033253E-01 1.156921  
1 1 1 8  22 10 o 11.023  0.4976 44.599    4.0202  41.283    6.0146   47.276    5.4051   10.566  0.7822 11.325  0.6540 -0.7591209     1.019571  
1 1 1 8  22 11 o 45.860  0.9363 774.946   31.472  781.946   45.158   768.335   43.886   45.937  1.3412 45.545  1.3146 0.3917580      1.878028  
1 1 1 8  22 12 o 21.787  0.6630 174.455   10.587  187.837   23.691   171.116   11.834   22.443  1.4479 21.569  0.7486 0.8740520      1.629940  
1 1 1 8  22 13 o 15.461  0.5262 87.774    5.9631  90.936    8.4745   84.673    8.3923   15.723  0.7354 15.170  0.7548 0.5526094      1.053784  
1 1 1 8  22 14 o 34.024  0.8596 426.613   21.437  421.686   30.395   431.489   30.238   33.729  1.2295 34.125  1.2089 -0.3962021     1.724298  
1 1 1 8  22 15 o 34.669  0.7931 442.909   20.155  431.153   26.419   459.280   31.175   34.134  1.0559 35.177  1.2091 -1.043087      1.605284  
1 1 1 8  22 16 o 14.188  0.5177 73.968    5.3843  71.550    9.0936   75.274    6.6814   13.890  0.8980 14.303  0.6373 -0.4135389     1.101184  
1 1 1 8  22 17 o 11.222  0.5671 46.426    4.6494  40.292    7.7906   49.820    5.7945   10.376  1.0383 11.611  0.6839 -1.234416      1.243277  
1 1 1 8  22 18 o 12.449  0.5486 56.989    5.0058  64.607    8.8332   53.384    6.0755   13.184  0.9199 12.017  0.6927 1.166507       1.151518  
1 1 1 8  23 0  o 23.933  0.7761 210.959   13.581  211.322   26.457   210.829   15.826   23.785  1.5322 23.905  0.9062 0.000000       0.000000  
1 1 1 8  23 1  o 46.097  0.9333 782.809   31.532  783.300   44.653   782.320   44.533   45.991  1.3247 45.963  1.3219 0.2777481E-01  1.871401  
1 1 1 8  23 2  f 16.283  0.4947 97.310    5.9042  98.250    9.4977   96.717    7.5376   16.343  0.7929 16.226  0.6338 0.1169186      1.015081  
1 1 1 8  23 3  o 7.2445  0.6634 19.446    3.4833  18.381    8.6240   19.654    3.8077   6.8872  1.7150 7.2759  0.7236 -0.3887353     1.861354  
1 1 1 8  23 4  o 11.192  0.5953 46.138    4.8662  33.194    9.1724   51.208    5.7406   9.3661  1.3772 11.786  0.6673 -2.419686      1.530371  
1 1 1 8  23 5  o 24.009  0.5543 211.657   9.7549  201.492   15.859   217.844   12.372   23.385  0.9253 24.344  0.6934 -0.9589729     1.156243  
1 1 1 8  23 6  o 12.927  0.4645 61.326    4.4016  66.145    8.0281   59.255    5.2632   13.381  0.8225 12.703  0.5653 0.6781178      0.9980687 
1 1 1 8  23 7  o 21.050  0.5183 162.670   7.9969  159.880   13.611   164.140   9.8826   20.832  0.8914 21.135  0.6380 -0.3025436     1.096153  
1 1 1 8  23 8  o 17.558  0.4812 113.157   6.1933  113.290   10.842   113.092   7.5457   17.540  0.8433 17.546  0.5867 -0.6244659E-02 1.027321  
1 1 1 8  23 9  o 6.5481  0.6541 15.916    3.0972  16.802    4.9204   15.334    3.9859   6.6685  1.0406 6.3935  0.8734 0.2750401      1.358596  
1 1 1 8  23 10 o 9.4658  0.5265 33.005    3.6385  34.996    5.7457   31.672    4.7013   9.7148  0.8144 9.2537  0.6983 0.4610424      1.072799  
1 1 1 8  23 11 o 16.202  0.4926 96.391    5.8497  97.781    8.7816   95.282    7.8431   16.300  0.7350 16.097  0.6648 0.2034473      0.9910599 
1 1 1 8  23 12 o 5.4841  1.0790 11.509    4.1826  5.3799    7.2382   14.582    5.1249   4.3870  1.6529 6.1725  1.1757 -1.785410      2.028420  
1 1 1 8  23 13 o 35.486  0.7581 464.038   19.718  460.063   28.054   467.919   27.721   35.232  1.0864 35.540  1.0642 -0.3075752     1.520733  
1 1 1 8  23 14 o 14.103  0.5309 73.105    5.4882  73.134    7.6770   73.074    7.8489   14.066  0.7473 14.057  0.7647 0.8638382E-02  1.069216  
1 1 1 8  23 15 o 13.471  0.6459 66.823    6.3781  61.231    9.5040   71.405    8.6031   12.811  1.0206 13.876  0.8500 -1.065171      1.328181  
1 1 1 8  23 16 o 20.352  0.5415 152.344   8.0776  157.988   12.029   147.709   10.901   20.683  0.7935 20.009  0.7433 0.6747932      1.087232  
1 1 1 8  23 17 o 12.480  0.5429 57.281    4.9657  58.855    8.6655   56.511    6.0591   12.570  0.9475 12.366  0.6710 0.2038794      1.161037  
1 1 1 8  24 0  o 30.750  0.9300 348.579   20.918  342.045   40.545   350.950   24.419   30.198  1.8476 30.823  1.0839 0.000000       0.000000  
1 1 1 8  24 1  o 25.218  0.5674 233.602   10.488  232.597   14.849   234.602   14.814   25.133  0.8061 25.242  0.8007 -0.1089249     1.136170  
1 1 1 8  24 2  o 29.285  0.6356 315.228   13.644  331.392   23.391   306.892   16.797   29.946  1.0657 28.871  0.7938 1.075060       1.328788  
1 1 1 8  24 3  o 36.573  0.8155 492.617   21.860  504.313   42.624   488.442   25.464   36.757  1.5821 36.385  0.9548 0.3721313      1.847885  
1 1 1 8  24 4  o 27.436  0.7606 277.061   15.296  259.399   31.676   282.432   17.467   26.289  1.6523 27.684  0.8608 -1.395187      1.863075  
1 1 1 8  24 5  o 5.4023  0.8012 10.979    3.0763  13.387    5.6610   9.9694    3.6645   5.8889  1.3415 5.1075  1.0147 0.7814002      1.682004  
1 1 1 8  24 6  o 8.4140  0.5558 26.121    3.4085  22.227    6.1292   27.865    4.1012   7.6710  1.1234 8.6812  0.6492 -1.010172      1.297510  
1 1 1 8  24 7  o 8.5036  0.5642 26.686    3.4965  25.784    6.3989   27.070    4.1748   8.2802  1.0801 8.5525  0.6714 -0.2722654     1.271735  
1 1 1 8  24 8  o 10.115  0.5127 37.677    3.7889  35.587    6.8770   38.588    4.5402   9.7670  0.9736 10.227  0.6084 -0.4600811     1.148089  
1 1 1 8  24 9  o 16.139  0.4835 95.661    5.7194  100.523   10.469   93.592    6.8284   16.482  0.8697 15.956  0.5839 0.5266056      1.047492  
1 1 1 8  24 10 o 9.7226  0.5245 34.840    3.7239  31.335    5.7387   37.389    4.8943   9.1726  0.8637 10.056  0.6678 -0.8836155     1.091799  
1 1 1 8  24 11 o 7.4572  0.6313 20.613    3.4184  23.869    5.7110   18.795    4.2673   7.9666  1.0001 7.0861  0.8378 0.8804741      1.304643  
1 1 1 8  24 12 o 25.423  0.7337 238.376   13.672  230.040   20.830   244.686   18.122   24.863  1.1430 25.699  0.9620 -0.8361835     1.493989  
1 1 1 8  24 13 o 17.558  0.5038 113.338   6.4833  108.134   9.3160   118.227   9.0283   17.118  0.7425 17.908  0.6878 -0.7897987     1.012120  
1 1 1 8  24 14 o 14.431  0.5101 76.588    5.3959  66.953    7.5961   86.401    7.6663   13.441  0.7743 15.307  0.6833 -1.865952      1.032713  
1 1 1 8  24 15 o 13.743  0.5332 69.478    5.3710  67.255    7.4749   71.851    7.7225   13.475  0.7600 13.929  0.7593 -0.4543962     1.074256  
1 1 1 8  25 0  o 17.238  0.6691 109.625   8.4254  122.779   17.503   105.658   9.6123   18.083  1.3374 16.902  0.7797 0.000000       0.000000  
1 1 1 8  25 1  f 7.5695  0.6005 21.201    3.3041  24.877    5.2446   18.782    4.2546   8.1609  0.8913 7.0875  0.8350 1.073344       1.221327  
1 1 1 8  25 2  o 4.9537  0.8228 9.2889    2.8827  17.536    4.8735   4.8504    3.5752   6.8134  1.0061 3.6589  1.1754 3.154496       1.547204  
1 1 1 8  25 3  f 14.648  0.4691 78.798    5.0367  82.502    8.6975   76.929    6.1780   14.937  0.7973 14.465  0.5827 0.4725533      0.9875393 
1 1 1 8  25 4  o 10.020  0.6213 37.076    4.5401  0.0000    0.0000   37.076    4.5401   ?       ?      10.020  0.6213 0.000000       0.6212514 
1 1 1 8  25 5  o 25.668  0.5832 242.306   10.972  257.681   19.282   234.945   13.342   26.381  0.9972 25.252  0.7209 1.129026       1.230476  
1 1 1 8  25 6  o 20.413  0.5146 153.159   7.6990  155.651   13.168   151.865   9.4899   20.522  0.8754 20.311  0.6375 0.2112083      1.082923  
1 1 1 8  25 7  o 24.955  0.5757 229.100   10.530  241.395   18.398   223.111   12.842   25.521  0.9835 24.601  0.7122 0.9203033      1.214320  
1 1 1 8  25 8  o 11.686  0.5004 50.205    4.2859  37.698    7.2227   57.001    5.3246   10.034  0.9952 12.446  0.5837 -2.411366      1.153744  
1 1 1 8  25 9  o 5.2790  0.8507 10.562    3.1798  14.397    6.1494   9.1624    3.7150   6.0733  1.4087 4.8718  1.0697 1.201510       1.768819  
1 1 1 8  25 10 o 10.273  0.5257 38.920    3.9449  35.752    7.4076   40.173    4.6608   9.7499  1.0533 10.426  0.6126 -0.6758471     1.218506  
1 1 1 8  25 11 o 11.036  0.5098 44.804    4.1243  45.151    6.3280   44.547    5.4379   11.024  0.7884 10.968  0.6798 0.5512524E-01  1.040975  
1 1 1 8  25 12 o 10.027  0.6285 37.199    4.5954  39.181    7.3533   35.929    5.8864   10.220  0.9942 9.8190  0.8256 0.4011297      1.292284  
1 1 1 8  25 13 o 18.135  0.5127 120.982   6.8143  119.211   9.9895   122.523   9.3191   17.961  0.7588 18.220  0.6978 -0.2594299     1.030884  
1 1 1 8  26 0  o 17.425  0.6710 112.107   8.5408  106.232   15.939   114.473   10.116   16.778  1.3146 17.584  0.7885 0.000000       0.000000  
1 1 1 8  26 1  o 8.6927  0.5245 27.896    3.3260  37.979    5.7456   22.815    4.0789   10.109  0.7816 7.8303  0.7187 2.278224       1.061784  
1 1 1 8  26 2  o 10.689  0.4814 42.006    3.7717  47.224    6.3524   39.165    4.6874   11.279  0.7730 10.292  0.6244 0.9879360      0.9936793 
1 1 1 8  26 3  o 16.209  0.4778 96.594    5.6771  106.162   9.8997   91.906    6.9298   16.945  0.7971 15.797  0.5985 1.148396       0.9967710 
1 1 1 8  26 4  o 12.156  0.5879 54.424    5.2385  0.0000    0.0000   54.424    5.2385   ?       ?      12.156  0.5879 0.000000       0.5879320 
1 1 1 8  26 5  o 13.307  0.5317 65.164    5.1860  59.791    8.0847   68.920    6.7600   12.673  0.8757 13.668  0.6748 -0.9950581     1.105551  
1 1 1 8  26 6  o 13.424  0.4951 66.280    4.8713  66.000    8.6203   66.412    5.9044   13.313  0.8885 13.426  0.6000 -0.1126814     1.072147  
1 1 1 8  26 7  o 22.536  0.5451 186.973   9.0032  180.142   14.934   190.873   11.285   22.026  0.9250 22.741  0.6770 -0.7154274     1.146290  
1 1 1 8  26 8  o 18.310  0.5031 123.363   6.7514  124.515   11.815   122.805   8.2270   18.320  0.8799 18.251  0.6150 0.6916809E-01  1.073524  
1 1 1 8  26 9  o 8.4510  0.5910 26.447    3.6375  29.004    6.8762   25.453    4.2863   8.7480  1.0965 8.2700  0.7141 0.4779615      1.308542  
1 1 1 8  26 10 o 3.6231  1.0930 4.9462    3.1445  2.5754    6.2745   5.7413    3.6338   3.7128  1.4971 3.8965  1.1748 -0.1837072     1.902991  
1 1 1 8  27 0  o 16.828  0.6711 104.680   8.2480  0.0000    0.0000   104.680   8.2480   16.828  0.6711 16.828  0.6711 0.000000       0.000000  
1 1 1 8  27 1  o 7.4616  0.5890 20.654    3.1949  21.078    5.0451   20.370    4.1281   7.4693  0.9425 7.3771  0.7750 0.9220076E-01  1.220259  
1 1 1 8  27 2  o 15.505  0.4687 88.447    5.3263  87.874    8.7403   88.785    6.7178   15.384  0.7777 15.517  0.5907 -0.1333952     0.9765471 
1 1 1 8  27 3  o 16.667  0.4800 102.218   5.8639  108.331   10.177   99.179    7.1748   17.094  0.8123 16.399  0.5969 0.6944122      1.007991  
1 1 1 8  27 4  o 17.521  0.5721 113.156   7.3474  108.266   14.076   114.987   8.6140   16.959  1.1391 17.644  0.6661 -0.6854858     1.319508  
1 1 1 8  27 5  o 7.6992  0.9814 22.426    5.4125  38.271    9.0660   13.651    6.7468   10.008  1.2641 5.8755  1.5458 4.132456       1.996877  
1 1 1 8  27 6  f 24.068  0.6571 213.888   11.591  231.177   17.868   201.326   15.231   24.908  0.9787 23.276  0.8928 1.631433       1.324746  
1 1 1 9  0  1  o 64.509  2.5587 1532.86   120.550 1532.86   120.550  0.0000    0.0000   64.509  2.5587 64.509  2.5587 0.000000       0.000000  
1 1 1 9  0  2  o 174.437 6.9008 11237.04  879.170 11237.04  879.170  0.0000    0.0000   174.437 6.9008 174.437 6.9008 0.000000       0.000000  
1 1 1 9  0  3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 9  0  4  o 95.920  3.7712 3390.92   264.209 0.0000    0.0000   3390.92   264.209  95.920  3.7712 95.920  3.7712 0.000000       0.000000  
1 1 1 9  0  5  o 237.408 9.3573 20893.89  1622.54 0.0000    0.0000   20893.89  1622.54  237.408 9.3573 237.408 9.3573 0.000000       0.000000  
1 1 1 9  0  6  o 49.327  1.6245 894.810   58.589  893.664   100.515  895.400   72.105   49.124  2.8127 49.299  2.0030 0.000000       0.000000  
1 1 1 9  0  7  o 27.063  0.8374 269.201   16.574  272.703   32.841   268.004   19.198   27.122  1.6664 26.989  0.9734 0.000000       0.000000  
1 1 1 9  0  8  o 30.061  1.0608 332.459   23.308  387.060   44.894   312.311   27.271   32.324  1.9102 29.105  1.2840 0.000000       0.000000  
1 1 1 9  0  9  f 254.744 7.0686 23993.72  1317.54 26372.35  2886.07  23367.48  1480.85  263.125 15.078 251.054 8.0664 0.000000       0.000000  
1 1 1 9  0  10 o 80.431  2.2645 2378.23   133.261 1998.78   222.866  2589.40   166.257  73.405  4.1731 83.881  2.7106 0.000000       0.000000  
1 1 1 9  0  11 o 30.744  0.9364 347.405   21.057  355.407   42.018   344.721   24.334   30.965  1.8669 30.609  1.0877 0.000000       0.000000  
1 1 1 9  0  12 o 126.627 3.5425 5903.06   328.208 5772.99   635.732  5950.33   383.230  124.386 7.0243 127.031 4.1258 0.000000       0.000000  
1 1 1 9  0  13 o 57.961  1.6386 1234.72   69.485  1195.49   133.891  1249.18   81.288   56.785  3.2411 58.270  1.9079 0.000000       0.000000  
1 1 1 9  0  14 o 75.274  2.1156 2083.23   116.513 2142.69   169.374  2029.83   160.530  76.215  3.0430 74.184  2.9631 0.000000       0.000000  
1 1 1 9  0  15 o 53.929  1.5377 1068.94   60.671  1050.00   83.875   1089.72   87.868   53.372  2.1520 54.369  2.2133 0.000000       0.000000  
1 1 1 9  0  16 o 5.2065  2.9613 12.860    17.602  0.0000    0.0000   12.860    17.602   5.2065  2.9613 5.2065  2.9613 0.000000       0.000000  
1 1 1 9  0  17 o 91.170  2.5459 3057.95   169.827 2888.19   226.496  3275.94   256.668  88.439  3.5066 94.172  3.7318 0.000000       0.000000  
1 1 1 9  0  18 o 94.078  2.6228 3257.09   180.536 3133.66   245.248  3403.09   266.735  92.092  3.6463 95.953  3.8062 0.000000       0.000000  
1 1 1 9  0  19 o 4.4923  1.8473 10.364    6.0165  14.325    7.8196   4.6174    9.4190   5.3344  2.0896 3.4830  2.0811 0.000000       0.000000  
1 1 1 9  0  20 o 76.026  2.1374 2127.10   118.890 2111.80   166.487  2143.03   169.833  75.595  3.0156 76.147  3.0541 0.000000       0.000000  
1 1 1 9  0  21 o 23.923  0.8450 210.607   14.776  217.743   20.680   203.165   21.118   24.283  1.1681 23.438  1.2371 0.000000       0.000000  
1 1 1 9  0  22 o 25.428  0.8795 237.941   16.348  234.667   22.267   241.770   24.078   25.205  1.2117 25.573  1.2921 0.000000       0.000000  
1 1 1 9  0  23 o 7.7821  1.2426 23.851    6.5463  18.812    8.1855   32.794    10.904   6.3963  1.9920 8.9033  1.9021 0.000000       0.000000  
1 1 1 9  0  24 o 10.623  0.9653 42.412    7.3734  43.640    9.6797   40.714    11.381   10.678  1.2862 10.142  1.6660 0.000000       0.000000  
1 1 1 9  0  25 o 36.734  1.1292 496.661   30.340  487.153   41.581   507.485   44.368   36.307  1.5692 37.047  1.6413 0.000000       0.000000  
1 1 1 9  0  26 o 51.556  1.5061 979.396   56.805  951.964   77.927   1010.50   82.980   50.695  2.1054 52.220  2.1766 0.000000       0.000000  
1 1 1 9  0  27 o 36.133  1.1342 480.754   29.972  534.953   45.216   438.275   40.030   38.032  1.6288 34.411  1.5949 0.000000       0.000000  
1 1 1 9  0  28 o 94.811  3.1058 3357.86   215.309 3352.62   262.799  3368.55   375.510  94.284  3.8170 93.061  5.5504 0.000000       0.000000  
1 1 1 9  0  29 o 44.801  1.9145 745.242   62.606  773.848   90.071   718.503   87.082   45.358  2.7320 43.683  2.7446 0.000000       0.000000  
1 1 1 9  0  30 o 15.291  0.8818 86.698    9.8081  93.315    13.128   78.339    14.756   15.809  1.1468 14.377  1.4329 0.000000       0.000000  
1 1 1 9  1  0  o 64.701  2.5692 1542.05   121.406 1542.05   121.406  0.0000    0.0000   64.701  2.5692 64.701  2.5692 0.000000       0.000000  
1 1 1 9  1  1  o 240.671 6.6565 21344.46  1174.22 21809.95  1701.15  20920.86  1622.81  242.574 9.5679 237.647 9.3165 4.926331       13.35450  
1 1 1 9  1  2  o 110.614 3.0915 4489.56   250.642 4276.97   340.751  4740.17   369.972  107.901 4.3086 113.585 4.4439 -5.684029      6.189693  
1 1 1 9  1  3  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 9  1  4  o 259.167 7.2632 24805.42  1379.71 22208.22  1729.21  29355.64  2288.81  244.510 9.6487 280.493 11.133 -35.98305      14.73222  
1 1 1 9  1  5  o 113.550 2.5873 4730.36   215.336 4269.67   333.696  5059.09   281.880  107.783 4.2239 117.392 3.2760 -9.608444      5.345471  
1 1 1 9  1  6  o 161.424 3.1510 9566.55   372.821 10057.44  553.272  9158.26   504.582  165.353 4.5650 157.814 4.3622 7.539276       6.314142  
1 1 1 9  1  7  o 251.203 4.9021 23239.01  902.580 23115.21  1270.05  23365.34  1282.93  249.926 6.9331 251.264 6.9661 -1.336990      9.828278  
1 1 1 9  1  8  f 116.491 2.2818 4979.26   194.830 5094.38   281.956  4874.06   269.526  117.755 3.2668 115.187 3.1924 2.567993       4.567632  
1 1 1 9  1  9  o 120.207 2.3579 5303.43   207.747 5052.65   280.792  5606.75   308.798  117.250 3.2673 123.496 3.4114 -6.246063      4.723694  
1 1 1 9  1  10 o 68.325  1.3566 1711.77   67.938  1743.14   97.903   1682.62   94.352   68.929  1.9378 67.723  1.9008 1.205643       2.714439  
1 1 1 9  1  11 o 91.344  1.7941 3061.01   120.116 3200.05   177.300  2943.06   163.302  93.342  2.5915 89.523  2.4887 3.818703       3.593005  
1 1 1 9  1  12 o 38.382  0.7969 539.999   22.420  595.160   34.434   499.408   29.539   40.289  1.1661 36.907  1.0919 3.381886       1.597504  
1 1 1 9  1  13 o 101.151 2.1445 3756.05   158.996 3827.35   248.833  3706.86   206.693  101.985 3.3288 100.426 2.8080 1.559044       4.355011  
1 1 1 9  1  14 o 105.016 2.0591 4048.28   158.496 4298.18   237.514  3847.66   212.810  108.111 2.9974 102.306 2.8380 5.804420       4.127756  
1 1 1 9  1  15 o 83.075  1.7671 2532.36   107.601 2420.68   136.049  2718.93   175.837  81.188  2.2862 86.001  2.7895 -4.812767      3.606679  
1 1 1 9  1  16 o 30.778  1.3709 347.451   30.926  368.093   43.951   327.209   43.524   31.610  1.9059 29.788  2.0051 1.822718       2.766414  
1 1 1 9  1  17 o 114.810 2.2479 4842.22   189.165 4886.53   269.533  4799.22   265.550  115.194 3.1923 114.163 3.1735 1.030571       4.501318  
1 1 1 9  1  18 o 116.249 2.2834 4966.55   194.562 5295.57   291.669  4702.78   261.157  119.850 3.3202 112.976 3.1538 6.874390       4.579360  
1 1 1 9  1  19 o 118.207 2.3323 5139.37   202.073 4872.34   271.527  5470.87   302.529  114.907 3.2239 121.716 3.3911 -6.808838      4.679028  
1 1 1 9  1  20 o 51.496  1.0508 972.691   39.661  911.317   52.623   1053.40   60.345   49.825  1.4409 53.562  1.5371 -3.737316      2.106886  
1 1 1 9  1  21 o 47.081  0.9744 813.164   33.627  887.991   51.422   757.261   44.447   49.172  1.4268 45.414  1.3353 3.757610       1.954130  
1 1 1 9  1  22 o 82.716  1.6473 2516.77   99.874  2570.33   143.240  2466.10   139.329  83.434  2.3423 81.729  2.3259 1.704971       3.300895  
1 1 1 9  1  23 o 30.177  0.7894 334.091   17.460  321.905   23.833   348.205   25.650   29.606  1.0983 30.789  1.1366 -1.183393      1.580543  
1 1 1 9  1  24 o 25.900  0.7290 246.107   13.840  232.713   19.103   260.904   20.079   25.171  1.0354 26.652  1.0278 -1.481441      1.458950  
1 1 1 9  1  25 f 34.520  0.7608 437.288   19.249  412.504   25.940   467.658   28.715   33.506  1.0562 35.672  1.0982 -2.166054      1.523734  
1 1 1 9  1  26 o 35.790  0.7848 470.162   20.587  461.320   28.773   479.437   29.469   35.424  1.1082 36.113  1.1133 -0.6883698     1.570843  
1 1 1 9  1  27 o 25.435  0.6360 237.370   11.856  236.046   16.683   238.721   16.852   25.350  0.8979 25.493  0.9019 -0.1429710     1.272642  
1 1 1 9  1  28 o 44.708  0.9459 734.737   30.996  795.755   47.054   687.963   41.198   46.448  1.3821 43.203  1.3010 3.244526       1.898113  
1 1 1 9  1  29 o 42.602  1.8216 674.511   56.880  683.871   79.800   664.845   81.097   42.532  2.5719 41.893  2.6548 0.6395874      3.696300  
1 1 1 9  1  30 o 22.588  0.6342 187.351   10.500  186.915   14.812   187.790   14.885   22.540  0.8966 22.593  0.8989 -0.5245399E-01 1.269598  
1 1 1 9  2  0  o 189.613 7.4660 13284.45  1033.95 13284.45  1033.95  0.0000    0.0000   189.613 7.4660 189.613 7.4660 0.000000       0.000000  
1 1 1 9  2  1  o 133.445 3.6991 6537.77   361.809 7346.87   571.850  5997.67   467.213  141.307 5.5213 127.720 4.9908 13.58621       7.442645  
1 1 1 9  2  2  o 146.648 4.0394 7898.78   434.179 7899.40   613.590  7898.15   614.456  146.493 5.7145 146.480 5.7231 0.1264954E-01  8.087626  
1 1 1 9  2  3  o 107.647 4.2007 4257.41   331.441 4257.41   331.441  0.0000    0.0000   107.647 4.2007 ?       ?      0.000000       4.200723  
1 1 1 9  2  4  o 91.859  2.5411 3095.42   171.088 3209.12   250.797  2996.45   233.986  93.481  3.6603 90.336  3.5338 3.144302       5.087824  
1 1 1 9  2  5  o 150.856 3.4191 8356.49   378.051 9084.70   706.546  8064.38   447.498  156.952 6.1417 148.131 4.1216 8.821487       7.396528  
1 1 1 9  2  6  o 185.082 3.6354 12584.91  493.169 12198.44  670.801  13039.54  727.542  182.014 5.0282 188.139 5.2759 -6.125824      7.288179  
1 1 1 9  2  7  o 141.682 2.7665 7368.58   287.297 7287.04   402.918  7452.92   409.767  140.783 3.9047 142.373 3.9267 -1.590759      5.537652  
1 1 1 9  2  8  o 136.574 2.6942 6847.76   269.701 6305.36   347.830  7665.49   427.087  130.960 3.6237 144.340 4.0369 -13.38020      5.424707  
1 1 1 9  2  9  o 96.893  1.9127 3444.08   135.839 3541.98   198.847  3358.42   186.006  98.206  2.7625 95.635  2.6535 2.570702       3.830485  
1 1 1 9  2  10 o 43.994  0.8912 709.478   28.737  705.634   40.444   713.398   40.840   43.869  1.2578 44.110  1.2632 -0.2406044     1.782625  
1 1 1 9  2  11 o 28.859  0.6736 305.266   14.249  300.714   21.395   308.895   19.103   28.640  1.0192 29.028  0.8978 -0.3881168     1.358241  
1 1 1 9  2  12 o 111.742 2.1965 4583.95   179.902 4403.33   244.080  4798.79   266.197  109.432 3.0430 114.223 3.1796 -4.790916      4.401125  
1 1 1 9  2  13 o 158.824 3.1203 9278.25   363.243 9943.52   639.504  8961.39   441.351  163.852 5.3249 155.938 3.8614 7.913269       6.577644  
1 1 1 9  2  14 o 179.307 3.7544 11847.08  493.418 11312.96  720.297  12319.30  677.284  174.627 5.6275 182.439 5.0649 -7.811829      7.571164  
1 1 1 9  2  15 o 124.337 2.4430 5679.24   222.642 5609.48   311.882  5751.73   317.932  123.424 3.4475 124.975 3.4708 -1.551010      4.892039  
1 1 1 9  2  16 o 183.337 5.1107 12459.66  686.763 11822.25  919.256  13264.81  1033.15  177.673 7.0589 187.941 7.5000 -10.26862      10.29937  
1 1 1 9  2  17 o 102.767 2.3327 3880.53   175.707 3700.25   237.593  4098.13   261.031  100.230 3.2341 105.458 3.3770 -5.227333      4.675861  
1 1 1 9  2  18 o 208.520 4.0982 16082.99  626.359 17036.04  937.541  15314.68  841.787  213.493 5.9914 202.628 5.6679 10.86549       8.247515  
1 1 1 9  2  19 o 127.625 2.5139 5995.19   235.162 6523.51   359.856  5601.41   310.676  132.797 3.6971 123.130 3.4424 9.666794       5.051595  
1 1 1 9  2  20 o 121.614 2.3991 5445.94   213.849 5583.21   309.262  5320.17   296.027  122.832 3.4351 119.926 3.3677 2.905922       4.810534  
1 1 1 9  2  21 o 70.774  1.4136 1839.65   73.332  1978.93   110.787  1731.03   97.831   73.315  2.0617 68.587  1.9461 4.728485       2.835062  
1 1 1 9  2  22 o 10.237  0.6492 38.585    4.8459  36.901    6.8176   40.305    6.8892   9.9839  0.9428 10.442  0.9092 -0.4575834     1.309814  
1 1 1 9  2  23 o 36.499  1.1121 489.287   29.750  522.737   43.730   460.466   40.590   37.683  1.5833 35.369  1.5657 2.313892       2.226707  
1 1 1 9  2  24 o 40.107  0.9935 590.764   29.205  552.048   39.545   637.221   43.318   38.731  1.3930 41.608  1.4204 -2.877262      1.989447  
1 1 1 9  2  25 o 56.247  1.1420 1162.98   47.081  1148.09   65.649   1178.74   67.556   55.803  1.6050 56.538  1.6302 -0.7347336     2.287743  
1 1 1 9  2  26 o 70.162  1.4229 1813.48   73.175  1638.62   93.845   2084.70   116.875  66.551  1.9239 74.986  2.1265 -8.435425      2.867607  
1 1 1 9  2  27 o 5.9617  1.3651 13.617    5.8364  5.7303    10.344   17.300    7.0691   5.0139  1.9535 6.7200  1.4756 -1.706128      2.448192  
1 1 1 9  2  28 o 21.581  0.6488 170.927   10.262  167.613   13.529   175.417   15.748   21.358  0.8642 21.841  0.9837 -0.4831810     1.309423  
1 1 1 9  2  29 o 4.6324  1.5030 7.6856    5.8350  8.4025    7.4706   6.5639    9.3442   4.9697  1.7026 4.9491  1.8749 0.2059412E-01  2.532614  
1 1 1 9  2  30 o 15.079  0.6064 83.475    6.7021  88.677    9.6236   78.577    9.3393   15.505  0.8500 14.589  0.8774 0.9157076      1.221677  
1 1 1 9  3  0  o 188.734 7.4740 13166.22  1030.22 13166.22  1030.22  0.0000    0.0000   188.734 7.4740 188.734 7.4740 0.000000       0.000000  
1 1 1 9  3  1  o 177.726 4.9288 11615.65  642.056 10570.29  822.771  13243.55  1026.74  169.305 6.6302 189.365 7.3974 -20.05997      9.933875  
1 1 1 9  3  2  o 195.866 7.7143 14181.74  1107.48 14181.74  1107.48  0.0000    0.0000   195.866 7.7143 ?       ?      0.000000       7.714298  
1 1 1 9  3  3  o 82.184  2.6689 2478.02   160.769 2478.02   160.769  0.0000    0.0000   82.184  2.6689 ?       ?      0.000000       2.668906  
1 1 1 9  3  4  o 141.169 3.9105 7321.92   404.622 7089.93   556.981  7581.16   588.787  138.747 5.4769 143.457 5.5996 -4.710068      7.832753  
1 1 1 9  3  5  o 14.016  0.5001 72.001    5.1375  77.416    7.7707   67.796    6.8476   14.515  0.7328 13.583  0.6901 0.9318819      1.006551  
1 1 1 9  3  6  o 138.837 2.8964 7076.05   294.738 7145.61   393.482  6987.13   444.880  139.428 3.8503 137.810 4.4044 1.617950       5.850066  
1 1 1 9  3  7  o 163.012 3.1776 9760.86   379.659 9700.58   533.247  9822.82   540.667  162.324 4.4819 163.338 4.5161 -1.013779      6.362608  
1 1 1 9  3  8  o 160.822 3.1540 9502.84   371.776 9995.02   552.219  9094.81   502.792  164.701 4.5744 157.147 4.3652 7.554230       6.322953  
1 1 1 9  3  9  o 132.944 2.5981 6489.78   253.164 6847.81   377.228  6196.39   341.490  136.415 3.7728 129.789 3.5897 6.625412       5.207678  
1 1 1 9  3  10 o 195.481 3.8539 14069.92  552.182 15003.58  835.456  13345.71  735.807  201.319 5.6618 189.994 5.2838 11.32526       7.744331  
1 1 1 9  3  11 o 86.973  1.7146 2775.03   109.302 2714.54   151.293  2841.07   158.082  85.978  2.4008 87.955  2.4521 -1.977173      3.431701  
1 1 1 9  3  12 o 140.887 2.7637 7294.71   285.393 7747.25   425.966  6926.12   384.434  144.968 4.0089 137.106 3.8255 7.861786       5.541222  
1 1 1 9  3  13 o 107.880 2.1184 4272.43   167.509 4028.56   257.301  4451.82   220.680  104.620 3.3554 110.058 2.7356 -5.437981      4.329259  
1 1 1 9  3  14 o 92.396  1.8253 3132.76   123.614 3281.33   211.662  3055.86   152.282  94.449  3.0575 91.221  2.2776 3.227959       3.812538  
1 1 1 9  3  15 o 73.601  1.6852 1987.58   90.909  1950.00   125.632  2028.90   131.714  72.861  2.3525 74.316  2.4181 -1.454597      3.373607  
1 1 1 9  3  16 o 34.070  0.9285 425.569   23.186  429.086   29.856   420.224   36.805   34.206  1.1908 33.845  1.4836 0.3610725      1.902411  
1 1 1 9  3  17 o 117.981 2.6724 5119.27   231.098 5064.53   324.083  5175.90   329.633  117.143 3.7745 118.419 3.7978 -1.275841      5.354436  
1 1 1 9  3  18 o 89.465  1.7616 2938.55   115.517 2888.23   160.759  2992.28   166.103  88.618  2.4750 90.195  2.5125 -1.577324      3.526803  
1 1 1 9  3  19 o 39.353  0.8287 567.847   23.904  585.381   34.723   552.051   32.957   39.946  1.1860 38.793  1.1591 1.152996       1.658296  
1 1 1 9  3  20 f 24.576  0.6062 221.419   10.919  233.961   16.027   210.553   14.918   25.258  0.8657 23.962  0.8494 1.296577       1.212788  
1 1 1 9  3  21 o 79.623  1.5813 2329.96   92.287  2538.88   141.069  2173.65   122.021  82.981  2.3194 76.810  2.1674 6.170914       3.174423  
1 1 1 9  3  22 o 17.073  0.5606 106.873   7.0154  105.151   9.8916   108.616   9.9514   16.931  0.7971 17.208  0.7890 -0.2768764     1.121553  
1 1 1 9  3  23 o 35.997  2.2569 481.154   59.246  0.0000    0.0000   481.154   59.246   ?       ?      35.997  2.2569 0.000000       2.256883  
1 1 1 9  3  24 o 21.375  0.8284 167.699   12.979  160.391   18.687   174.512   18.042   20.850  1.2282 21.761  1.1351 -0.9117126     1.672394  
1 1 1 9  3  25 o 54.231  1.1063 1080.95   43.974  1064.17   61.134   1098.94   63.300   53.733  1.5523 54.598  1.5818 -0.8646660     2.216213  
1 1 1 9  3  26 o 50.355  1.0357 931.887   38.226  918.202   53.395   946.274   54.748   49.915  1.4595 50.669  1.4742 -0.7544060     2.074422  
1 1 1 9  3  27 o 26.927  0.7019 266.104   13.853  256.832   17.833   280.210   21.996   26.440  0.9202 27.603  1.0872 -1.163456      1.424369  
1 1 1 9  3  28 o 5.5086  1.2043 11.613    4.7269  19.839    6.6542   3.2331    6.7158   7.2264  1.3043 3.9667  1.5655 3.259706       2.037632  
1 1 1 9  3  29 o 20.370  0.6029 152.312   9.0021  145.054   12.457   160.247   13.024   19.863  0.8556 20.877  0.8511 -1.014606      1.206870  
1 1 1 9  3  30 o 38.957  0.8456 558.139   24.145  560.054   34.142   556.223   34.150   38.956  1.1957 38.821  1.2002 0.1344757      1.694175  
1 1 1 9  4  0  o 151.334 6.0043 8456.15   663.623 8456.15   663.623  0.0000    0.0000   151.334 6.0043 151.334 6.0043 0.000000       0.000000  
1 1 1 9  4  1  o 312.924 8.6967 36314.42  1994.68 35590.21  2759.11  37107.33  2887.03  308.023 12.221 314.334 12.531 -6.310913      17.50350  
1 1 1 9  4  2  o 56.934  2.2612 1188.92   94.359  1188.92   94.359   0.0000    0.0000   56.934  2.2612 ?       ?      0.000000       2.261157  
1 1 1 9  4  3  o 121.966 3.3657 5462.12   300.877 5462.12   300.877  0.0000    0.0000   121.966 3.3657 ?       ?      0.000000       3.365664  
1 1 1 9  4  4  o 34.443  1.1544 434.879   29.143  438.286   35.957   428.356   49.751   34.576  1.4188 34.117  1.9982 0.4584732      2.450713  
1 1 1 9  4  5  o 59.750  1.4986 1308.95   65.632  1472.12   115.731  1231.59   79.684   63.340  2.4928 57.950  1.8760 5.389683       3.119867  
1 1 1 9  4  6  o 188.087 3.6732 13003.64  506.384 13260.49  651.298  12611.06  805.212  189.758 4.6827 184.779 5.9453 4.978699       7.568017  
1 1 1 9  4  7  o 20.537  0.6098 154.584   9.1797  151.461   14.331   156.757   11.954   20.327  0.9619 20.680  0.7886 -0.3531151     1.243863  
1 1 1 9  4  8  o 61.129  1.2133 1370.00   54.364  1392.56   78.083   1348.77   75.734   61.617  1.7289 60.641  1.7039 0.9757118      2.427442  
1 1 1 9  4  9  o 63.083  1.2577 1459.09   58.154  1413.47   79.965   1510.31   84.725   62.074  1.7575 64.164  1.8015 -2.089718      2.516828  
1 1 1 9  4  10 o 49.346  1.0002 892.672   36.175  889.037   51.339   896.256   50.981   49.237  1.4226 49.436  1.4069 -0.1998711     2.000806  
1 1 1 9  4  11 o 75.255  1.4985 2077.19   82.656  2038.98   115.431  2117.40   118.412  74.530  2.1131 75.949  2.1271 -1.418915      2.998293  
1 1 1 9  4  12 o 100.748 1.9864 3725.38   146.686 3757.88   208.410  3693.47   206.493  101.110 2.8122 100.240 2.8105 0.8701477      3.975822  
1 1 1 9  4  13 o 98.241  1.9345 3542.15   139.298 3879.99   247.297  3385.14   168.589  102.678 3.2859 96.001  2.3959 6.676598       4.066675  
1 1 1 9  4  14 o 94.172  1.8546 3254.58   128.014 3365.56   216.984  3195.33   158.547  95.645  3.0952 93.274  2.3191 2.371330       3.867578  
1 1 1 9  4  15 o 36.219  0.8886 480.927   23.589  489.777   33.804   472.526   32.934   36.545  1.2620 35.896  1.2518 0.6491432      1.777516  
1 1 1 9  4  16 o 71.002  1.4175 1849.28   73.766  1818.63   102.832  1881.77   105.877  70.378  1.9935 71.588  2.0178 -1.209625      2.836463  
1 1 1 9  4  17 o 26.142  0.7900 250.542   15.137  268.827   25.562   240.667   18.785   27.072  1.2882 25.619  1.0004 1.452824       1.631025  
1 1 1 9  4  18 o 91.675  1.9366 3087.11   130.125 3097.81   173.311  3073.30   197.006  91.752  2.5771 91.332  2.9429 0.4201965      3.911793  
1 1 1 9  4  19 o 81.305  2.0330 2430.13   121.150 2363.69   186.761  2478.40   159.187  80.006  3.1848 82.020  2.6479 -2.014145      4.141827  
1 1 1 9  4  20 o 89.200  1.8816 2925.48   123.020 2816.82   156.872  3099.05   198.261  87.429  2.4480 91.590  2.9533 -4.160690      3.835962  
1 1 1 9  4  21 o 26.796  0.6360 263.274   12.492  261.943   17.599   264.626   17.733   26.722  0.8986 26.858  0.9008 -0.1364746     1.272332  
1 1 1 9  4  22 o 60.909  1.2336 1362.90   55.073  1461.73   82.624   1283.89   73.878   62.995  1.7894 59.052  1.7069 3.942974       2.472954  
1 1 1 9  4  23 o 37.093  0.9245 505.051   25.136  499.034   34.795   511.620   36.351   36.843  1.2885 37.301  1.3296 -0.4579315     1.851458  
1 1 1 9  4  24 o 12.826  0.7966 60.608    7.4522  64.408    12.285   58.395    9.3737   13.170  1.2892 12.566  1.0267 0.6034336      1.648094  
1 1 1 9  4  25 o 30.161  0.6942 333.784   15.347  339.373   21.973   328.461   21.444   30.394  0.9863 29.902  0.9784 0.4920425      1.389303  
1 1 1 9  4  26 o 49.024  1.0835 883.603   38.933  930.611   62.168   853.271   49.938   50.197  1.6897 48.122  1.4158 2.075939       2.204458  
1 1 1 9  4  27 o 47.812  0.9940 840.333   34.834  861.169   50.241   821.046   48.339   48.325  1.4184 47.190  1.3975 1.134922       1.991232  
1 1 1 9  4  28 f 14.075  0.6252 72.714    6.4496  74.412    9.0530   70.965    9.1908   14.202  0.8739 13.864  0.9095 0.3379736      1.261326  
1 1 1 9  4  29 o 19.135  0.5977 134.400   8.3823  120.445   11.184   152.286   12.662   18.099  0.8430 20.351  0.8488 -2.251760      1.196354  
1 1 1 9  4  30 f 18.783  0.7327 129.636   10.088  116.074   14.271   143.180   14.261   17.710  1.1049 19.694  0.9911 -1.983932      1.484308  
1 1 1 9  5  0  o 34.825  1.4512 446.858   36.898  446.858   36.898   0.0000    0.0000   34.825  1.4512 34.825  1.4512 0.000000       0.000000  
1 1 1 9  5  1  o 89.770  2.4868 2956.62   163.629 2891.57   226.745  3027.31   236.368  88.730  3.4865 90.785  3.5522 -2.055016      4.977283  
1 1 1 9  5  2  o 174.243 6.8193 11222.15  870.916 11222.15  870.916  0.0000    0.0000   174.243 6.8193 ?       ?      0.000000       6.819305  
1 1 1 9  5  3  o 184.711 5.1557 12568.31  698.010 12568.31  698.010  0.0000    0.0000   184.711 5.1557 ?       ?      0.000000       5.155704  
1 1 1 9  5  4  o 88.369  2.2025 2864.76   142.657 3175.46   247.211  2709.64   174.675  92.957  3.6283 85.918  2.7738 7.039612       4.567091  
1 1 1 9  5  5  o 156.267 3.8944 8980.11   446.059 8856.82   706.746  9061.73   575.066  154.777 6.2298 156.801 5.0037 -2.023758      7.990466  
1 1 1 9  5  6  o 126.225 2.6368 5849.20   243.954 5765.40   318.052  5968.96   380.219  125.238 3.4648 127.357 4.0731 -2.118675      5.347476  
1 1 1 9  5  7  o 56.648  1.1241 1176.45   46.676  1165.68   65.533   1187.53   66.495   56.378  1.5859 56.904  1.5943 -0.5255623     2.248723  
1 1 1 9  5  8  o 159.231 3.1106 9319.04   363.033 9958.93   547.016  8815.35   485.317  164.337 4.5413 154.667 4.2810 9.669693       6.241072  
1 1 1 9  5  9  o 41.014  0.8393 616.607   25.230  609.008   35.424   624.432   35.943   40.755  1.1859 41.268  1.1883 -0.5128136     1.678771  
1 1 1 9  5  10 o 88.133  1.7369 2849.67   112.201 2979.90   166.182  2740.57   152.103  90.070  2.5172 86.387  2.4022 3.683800       3.479510  
1 1 1 9  5  11 o 209.508 4.1062 16187.96  630.547 16908.66  929.342  15573.17  858.341  213.387 5.9419 204.887 5.7156 8.500061       8.244687  
1 1 1 9  5  12 o 13.428  0.5021 66.092    4.9424  65.020    7.0307   67.138    6.9492   13.299  0.7240 13.515  0.7039 -0.2166538     1.009810  
1 1 1 9  5  13 o 125.664 2.4856 5801.63   228.940 5178.22   335.932  6342.28   312.841  118.511 3.8673 131.273 3.2514 -12.76130      5.052502  
1 1 1 9  5  14 o 107.380 2.6688 4238.19   210.050 4378.60   341.921  4153.08   266.206  108.890 4.2841 106.195 3.4200 2.694984       5.481781  
1 1 1 9  5  15 o 54.385  2.2376 1086.40   89.196  0.0000    0.0000   1086.40   89.196   ?       ?      54.385  2.2376 0.000000       2.237630  
1 1 1 9  5  16 o 93.967  1.8574 3241.43   127.924 3304.50   183.935  3182.35   178.034  94.794  2.6473 93.029  2.6110 1.764175       3.718258  
1 1 1 9  5  17 o 92.544  2.5755 3150.25   174.700 3072.82   241.401  3235.39   253.141  91.239  3.6098 93.606  3.6896 -2.367401      5.161735  
1 1 1 9  5  18 o 99.012  1.9464 3601.84   141.252 3788.28   209.573  3446.66   191.209  101.401 2.8198 96.743  2.6965 4.658195       3.901596  
1 1 1 9  5  19 o 44.721  0.9253 733.477   30.329  745.163   43.492   722.414   42.316   45.060  1.3168 44.368  1.3012 0.6924400      1.851293  
1 1 1 9  5  20 o 8.5146  0.7260 26.777    4.4876  23.442    6.2893   30.235    6.4051   7.9153  1.1150 9.0251  0.9842 -1.109790      1.487219  
1 1 1 9  5  21 o 38.875  0.8221 554.361   23.426  542.623   32.533   567.001   33.759   38.445  1.1545 39.298  1.1720 -0.8530312     1.645162  
1 1 1 9  5  22 o 50.447  1.0330 934.362   38.196  939.191   54.380   929.660   53.662   50.530  1.4683 50.274  1.4563 0.2555161      2.067992  
1 1 1 9  5  23 o 7.6566  0.8105 21.753    4.4794  26.660    6.3827   16.991    6.2881   8.4549  1.0528 6.6801  1.3310 1.774712       1.697003  
1 1 1 9  5  24 o 42.515  1.0293 664.073   32.075  645.273   44.360   684.670   46.433   41.859  1.4458 43.114  1.4693 -1.255470      2.061416  
1 1 1 9  5  25 o 72.754  1.4564 1950.38   77.663  1982.13   111.571  1920.54   108.171  73.138  2.0813 72.005  2.0496 1.133339       2.921049  
1 1 1 9  5  26 o 47.562  0.9935 831.325   34.635  912.157   52.769   770.147   45.908   49.744  1.4473 45.722  1.3699 4.022072       1.992806  
1 1 1 9  5  27 o 23.179  0.6130 197.133   10.415  204.572   15.068   190.327   14.412   23.597  0.8712 22.761  0.8639 0.8359489      1.226871  
1 1 1 9  5  28 o 32.802  0.8513 395.478   20.468  399.132   28.992   391.848   28.900   32.905  1.2021 32.602  1.2094 0.3027687      1.705227  
1 1 1 9  5  29 o 18.507  0.5913 125.738   8.0216  117.352   10.939   135.494   11.798   17.865  0.8354 19.196  0.8385 -1.331030      1.183675  
1 1 1 9  5  30 o 20.149  0.7903 149.255   11.672  146.438   19.121   150.928   14.737   19.860  1.3211 20.244  0.9932 -0.3835773     1.652786  
1 1 1 9  6  0  o 207.670 8.1890 15988.79  1242.08 15988.79  1242.08  0.0000    0.0000   207.670 8.1890 207.670 8.1890 0.000000       0.000000  
1 1 1 9  6  1  f 74.594  2.9230 2042.88   159.813 2042.88   159.813  0.0000    0.0000   74.594  2.9230 ?       ?      0.000000       2.922986  
1 1 1 9  6  2  f 52.389  1.4765 1006.32   56.697  1006.32   56.697   0.0000    0.0000   52.389  1.4765 ?       ?      0.000000       1.476528  
1 1 1 9  6  3  o 110.869 3.5519 4517.71   288.639 4517.71   288.639  0.0000    0.0000   110.869 3.5519 ?       ?      0.000000       3.551927  
1 1 1 9  6  4  o 49.688  1.4045 905.239   51.152  917.238   59.904   872.934   98.289   50.012  1.6342 48.682  2.7660 1.330513       3.212691  
1 1 1 9  6  5  o 157.719 3.5919 9147.18   415.227 10954.67  692.658  8133.28   518.775  172.212 5.4875 148.531 4.7652 23.68143       7.267720  
1 1 1 9  6  6  f 71.299  1.6382 1864.43   85.610  1944.86   124.669  1792.67   117.768  72.791  2.3367 69.887  2.2991 2.904312       3.278058  
1 1 1 9  6  7  o 102.621 2.0073 3864.20   150.982 3971.24   219.173  3767.53   208.283  103.965 2.8762 101.269 2.8060 2.695389       4.018269  
1 1 1 9  6  8  f 157.359 3.0936 9103.48   356.816 9551.65   525.518  8720.14   486.021  160.914 4.4557 153.782 4.3119 7.131729       6.200438  
1 1 1 9  6  9  f 186.023 4.6582 12780.67  635.133 12617.09  815.362  13033.10  1012.85  184.346 6.0344 186.755 7.3993 -2.408951      9.547979  
1 1 1 9  6  10 o 147.435 3.3241 7999.75   359.217 7956.72   505.152  8043.77   510.915  146.732 4.6969 147.526 4.7250 -0.7931213     6.662339  
1 1 1 9  6  11 o 70.590  1.3965 1827.58   72.256  1848.11   103.287  1807.91   101.119  70.958  1.9859 70.183  1.9657 0.7748947      2.794263  
1 1 1 9  6  12 o 169.404 3.3100 10563.91  410.992 11103.34  609.386  10113.81  556.648  173.254 4.7988 165.419 4.5911 7.835495       6.641242  
1 1 1 9  6  13 o 76.006  1.4998 2119.12   83.555  1986.71   128.208  2216.88   110.162  73.541  2.3785 77.715  1.9340 -4.174469      3.065546  
1 1 1 9  6  14 o 59.245  1.2711 1287.27   55.198  1399.08   112.249  1251.60   63.393   61.703  2.4820 58.412  1.4807 3.291695       2.890077  
1 1 1 9  6  15 o 68.876  1.5785 1740.62   79.689  1663.26   132.543  1784.42   99.727   67.251  2.6889 69.714  1.9517 -2.463913      3.322560  
1 1 1 9  6  16 o 104.533 2.0574 4013.49   157.637 3784.06   242.168  4182.17   207.654  101.333 3.2605 106.629 2.6570 -5.296295      4.205995  
1 1 1 9  6  17 o 44.314  1.0534 720.151   34.216  742.245   49.831   700.443   47.064   44.972  1.5117 43.689  1.4697 1.283100       2.108412  
1 1 1 9  6  18 o 120.370 2.3654 5332.19   208.688 5646.52   311.680  5076.75   280.964  123.580 3.4410 117.229 3.2699 6.350746       4.746839  
1 1 1 9  6  19 o 68.750  1.3728 1735.09   69.177  1633.27   91.812   1868.80   105.212  66.654  1.8793 71.281  2.0138 -4.627472      2.754466  
1 1 1 9  6  20 o 98.539  1.9502 3574.05   140.855 3655.15   202.854  3498.55   195.735  99.426  2.7836 97.285  2.7450 2.141396       3.909379  
1 1 1 9  6  21 f 95.891  1.8995 3387.83   133.503 3498.57   194.624  3289.41   183.472  97.170  2.7326 94.249  2.6559 2.920876       3.810662  
1 1 1 9  6  22 o 38.606  0.9479 547.115   26.821  594.356   40.585   510.488   35.737   40.200  1.3774 37.263  1.3085 2.937656       1.899803  
1 1 1 9  6  23 o 8.0006  0.7858 23.716    4.5486  24.926    6.3299   22.425    6.5405   8.1653  1.0845 7.7205  1.1944 0.4447708      1.613263  
1 1 1 9  6  24 o 56.641  1.3340 1180.88   55.382  1177.14   78.078   1184.66   78.568   56.428  1.8878 56.607  1.8936 -0.1782761     2.673873  
1 1 1 9  6  25 o 24.256  0.6134 215.832   10.905  229.351   16.034   204.199   14.874   24.991  0.8754 23.581  0.8606 1.409304       1.227521  
1 1 1 9  6  26 o 16.580  0.5683 100.835   6.9065  105.925   9.9187   96.045    9.6225   16.985  0.7967 16.152  0.8154 0.8327427      1.140017  
1 1 1 9  6  27 o 16.875  0.5812 104.487   7.1885  107.575   10.169   101.401   10.164   17.113  0.8107 16.593  0.8384 0.5207272      1.166241  
1 1 1 9  6  28 o 35.369  1.1083 460.924   28.733  469.163   40.023   452.161   41.275   35.596  1.5340 34.927  1.6123 0.6696053      2.225438  
1 1 1 9  6  29 o 32.151  0.7291 379.840   17.182  393.477   24.940   367.521   23.705   32.677  1.0413 31.584  1.0240 1.093330       1.460416  
1 1 1 9  7  0  o 50.497  2.0304 939.510   74.873  939.510   74.873   0.0000    0.0000   50.497  2.0304 50.497  2.0304 0.000000       0.000000  
1 1 1 9  7  1  o 245.158 9.7329 22554.98  1748.92 22554.98  1748.92  0.0000    0.0000   245.158 9.7329 ?       ?      0.000000       9.732912  
1 1 1 9  7  2  o 141.568 3.9142 7374.06   406.147 7374.06   406.147  0.0000    0.0000   141.568 3.9142 ?       ?      0.000000       3.914151  
1 1 1 9  7  3  o 68.281  2.7012 1712.02   135.188 1712.02   135.188  0.0000    0.0000   68.281  2.7012 ?       ?      0.000000       2.701206  
1 1 1 9  7  4  o 112.966 3.1466 4690.03   260.534 4450.79   284.294  5944.49   651.000  110.007 3.5259 126.273 7.0621 -16.26543      7.893353  
1 1 1 9  7  5  o 74.255  1.8416 2022.81   100.233 2049.16   131.087  1985.71   155.530  74.711  2.3938 73.516  2.8864 1.194901       3.749879  
1 1 1 9  7  6  o 75.469  1.7218 2089.31   95.242  2008.07   130.067  2183.23   139.848  73.954  2.3995 77.108  2.4744 -3.153572      3.446807  
1 1 1 9  7  7  o 99.654  1.9661 3644.31   143.609 3643.84   204.467  3644.78   201.748  99.580  2.8014 99.597  2.7636 -0.1639557E-01 3.935148  
1 1 1 9  7  8  o 104.070 2.0420 3975.24   155.761 4012.15   221.452  3939.11   219.124  104.471 2.8920 103.516 2.8880 0.9548874      4.087112  
1 1 1 9  7  9  o 99.620  1.9499 3642.40   142.377 3893.49   214.411  3444.35   190.421  102.912 2.8425 96.810  2.6836 6.101166       3.909139  
1 1 1 9  7  10 o 72.243  1.4259 1914.27   75.505  1943.19   108.524  1887.14   105.118  72.756  2.0350 71.701  2.0002 1.054893       2.853442  
1 1 1 9  7  11 o 63.393  1.2591 1473.74   58.504  1410.30   79.467   1548.82   86.445   61.995  1.7488 64.965  1.8154 -2.970116      2.520772  
1 1 1 9  7  12 o 33.858  0.7194 420.210   17.852  460.854   27.295   389.824   23.600   35.453  1.0504 32.608  0.9874 2.845524       1.441642  
1 1 1 9  7  13 o 63.679  1.3577 1487.28   63.370  1454.55   94.755   1513.77   85.235   62.941  2.0539 64.223  1.8107 -1.281570      2.738113  
1 1 1 9  7  14 o 113.775 2.5731 4758.95   214.579 4826.13   378.059  4727.03   260.627  114.204 4.5164 113.307 3.1382 0.8973694      5.499697  
1 1 1 9  7  15 o 39.772  0.9623 579.974   28.053  549.154   46.163   598.019   35.323   38.683  1.6281 40.381  1.1935 -1.697147      2.018703  
1 1 1 9  7  16 o 20.544  0.5519 154.702   8.3102  148.213   13.348   158.809   10.619   20.105  0.9058 20.814  0.6961 -0.7083111     1.142349  
1 1 1 9  7  17 o 84.400  1.9273 2617.20   119.228 2640.48   170.506  2594.94   166.783  84.664  2.7476 83.936  2.7109 0.7275925      3.859895  
1 1 1 9  7  18 o 26.242  0.6612 252.474   12.718  250.872   16.717   254.676   19.595   26.156  0.8720 26.350  1.0145 -0.1946087     1.337802  
1 1 1 9  7  19 o 54.771  1.1073 1100.74   44.453  1158.09   65.676   1052.25   60.390   56.142  1.5960 53.520  1.5394 2.622143       2.217456  
1 1 1 9  7  20 o 82.125  1.6241 2480.20   97.764  2516.49   140.205  2445.85   136.393  82.577  2.3165 81.418  2.2856 1.159706       3.254183  
1 1 1 9  7  21 o 33.913  0.7384 421.881   18.354  406.401   25.117   439.620   26.887   33.271  1.0299 34.602  1.0601 -1.331196      1.478070  
1 1 1 9  7  22 o 47.567  1.3827 832.376   48.208  776.130   63.186   910.724   74.574   45.858  1.8798 49.643  2.0495 -3.784668      2.781048  
1 1 1 9  7  23 o 63.988  1.2861 1506.49   60.320  1538.72   86.909   1476.53   83.788   64.536  1.8373 63.226  1.8080 1.309467       2.577730  
1 1 1 9  7  24 o 19.122  0.5744 134.115   8.0502  135.990   11.378   132.236   11.391   19.247  0.8065 18.979  0.8189 0.2680092      1.149370  
1 1 1 9  7  25 o 49.468  1.0859 899.808   39.374  927.297   53.532   867.410   58.116   50.151  1.4563 48.466  1.6360 1.684525       2.190267  
1 1 1 9  7  26 o 22.993  0.6107 193.987   10.293  181.400   13.960   208.979   15.235   22.222  0.8571 23.851  0.8715 -1.628597      1.222324  
1 1 1 9  7  27 o 38.510  0.8324 544.939   23.497  552.276   33.591   537.910   32.880   38.716  1.1837 38.211  1.1740 0.5051727      1.667165  
1 1 1 9  7  28 o 18.868  0.6923 130.768   9.5740  124.809   12.674   138.689   14.611   18.392  0.9434 19.378  1.0325 -0.9858036     1.398527  
1 1 1 9  7  29 o 33.685  0.7589 417.114   18.738  427.167   27.035   407.819   25.994   34.035  1.0837 33.259  1.0663 0.7764626      1.520331  
1 1 1 9  8  0  o 227.179 12.986 19573.35  2146.20 19573.35  2146.20  0.0000    0.0000   227.179 12.986 227.179 12.986 0.000000       0.000000  
1 1 1 9  8  1  o 108.344 4.2743 4325.86   339.428 4325.86   339.428  0.0000    0.0000   108.344 4.2743 ?       ?      0.000000       4.274277  
1 1 1 9  8  2  o 137.642 5.3938 7005.93   544.162 7005.93   544.162  0.0000    0.0000   137.642 5.3938 ?       ?      0.000000       5.393823  
1 1 1 9  8  3  f 155.852 4.9842 8972.08   569.365 8972.08   569.365  0.0000    0.0000   155.852 4.9842 ?       ?      0.000000       4.984217  
1 1 1 9  8  4  o 168.059 4.7089 10426.16  580.046 9845.42   628.886  13735.36  1501.22  163.166 5.2585 189.697 10.842 -26.53099      12.04988  
1 1 1 9  8  5  o 46.560  1.0916 794.793   37.252  777.513   51.923   813.124   53.478   46.042  1.5386 47.084  1.5496 -1.042324      2.183692  
1 1 1 9  8  6  o 168.429 3.8088 10450.98  470.208 10392.47  662.056  10510.54  667.931  167.519 5.3920 168.462 5.4094 -0.9432373     7.637759  
1 1 1 9  8  7  o 48.441  0.9730 860.281   34.546  872.605   49.479   848.559   48.255   48.778  1.3839 48.102  1.3687 0.6763954      1.946431  
1 1 1 9  8  8  o 98.584  1.9328 3567.12   139.659 3623.00   200.642  3514.60   194.516  99.277  2.7574 97.785  2.7140 1.491814       3.868925  
1 1 1 9  8  9  o 110.871 2.1952 4513.94   178.389 5118.41   281.574  4108.64   230.563  117.921 3.2578 105.689 2.9763 12.23201       4.412662  
1 1 1 9  8  10 f 13.471  0.5233 66.510    5.1667  57.941    6.5997   80.077    8.3043   12.552  0.7204 14.760  0.7703 -2.208140      1.054644  
1 1 1 9  8  11 o 134.080 2.6185 6607.98   257.335 6503.27   358.181  6719.69   369.958  132.821 3.6792 135.000 3.7389 -2.178986      5.245542  
1 1 1 9  8  12 o 48.780  0.9844 872.414   35.197  868.299   49.720   876.547   49.832   48.654  1.3942 48.885  1.3908 -0.2306175     1.969274  
1 1 1 9  8  13 o 19.453  0.5229 138.706   7.4553  135.738   12.295   140.432   9.3757   19.242  0.8718 19.573  0.6535 -0.3314304     1.089515  
1 1 1 9  8  14 o 50.456  1.1863 933.674   43.874  926.382   76.037   937.314   53.718   50.221  2.0657 50.545  1.4500 -0.3238525     2.523751  
1 1 1 9  8  15 o 136.102 2.6755 6815.82   266.905 7338.37   465.780  6560.35   325.677  140.705 4.5164 133.381 3.3313 7.323959       5.612071  
1 1 1 9  8  16 o 77.364  1.5309 2196.82   86.811  2170.87   139.880  2213.07   110.710  76.810  2.4846 77.614  1.9461 -0.8030319     3.156042  
1 1 1 9  8  17 o 23.861  0.6873 208.736   12.020  215.531   17.462   202.617   16.572   24.242  0.9828 23.505  0.9619 0.7370510      1.375181  
1 1 1 9  8  18 o 101.508 2.3129 3794.97   172.080 3923.79   252.105  3682.59   235.463  102.939 3.3413 99.762  3.2202 3.177429       4.640477  
1 1 1 9  8  19 o 94.913  1.8707 3315.09   130.136 3402.51   188.635  3235.69   179.766  95.947  2.6823 93.583  2.6208 2.363670       3.750092  
1 1 1 9  8  20 o 47.382  0.9719 823.946   33.754  805.354   46.606   844.455   48.950   46.812  1.3583 47.932  1.3933 -1.119438      1.945846  
1 1 1 9  8  21 o 34.334  0.7466 432.488   18.790  433.407   26.646   431.578   26.501   34.352  1.0582 34.280  1.0547 0.7233429E-01  1.494095  
1 1 1 9  8  22 o 44.604  1.0700 730.999   34.981  781.623   52.106   689.462   47.198   46.060  1.5434 43.267  1.4883 2.792561       2.144095  
1 1 1 9  8  23 o 53.362  1.0882 1046.69   42.564  1012.73   58.262   1085.55   62.333   52.415  1.5165 54.256  1.5674 -1.840855      2.180960  
1 1 1 9  8  24 o 17.018  0.5657 106.225   7.0563  98.946    9.7196   114.337   10.261   16.417  0.8078 17.648  0.7932 -1.231218      1.132128  
1 1 1 9  8  25 o 34.869  0.8871 446.649   22.674  438.540   31.835   454.998   32.301   34.510  1.2586 35.152  1.2536 -0.6422424     1.776402  
1 1 1 9  8  26 o 17.371  0.5846 110.714   7.4430  108.534   10.459   112.951   10.595   17.189  0.8301 17.535  0.8243 -0.3465405     1.169888  
1 1 1 9  8  27 o 11.585  0.6453 49.426    5.4580  56.358    8.0342   43.486    7.4377   12.348  0.8938 10.831  0.9464 1.516356       1.301719  
1 1 1 9  8  28 o 19.314  0.5872 136.943   8.3120  136.876   11.708   137.010   11.803   19.292  0.8280 19.301  0.8343 -0.8874893E-02 1.175399  
1 1 1 9  8  29 o 27.193  0.6651 271.643   13.256  259.685   18.145   285.331   19.413   26.558  0.9322 27.835  0.9515 -1.277819      1.332050  
1 1 1 9  9  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 9  9  1  o 66.244  2.1367 1610.81   103.749 1610.81   103.749  0.0000    0.0000   66.244  2.1367 ?       ?      0.000000       2.136750  
1 1 1 9  9  2  o 67.473  1.8795 1670.55   92.952  1670.55   92.952   0.0000    0.0000   67.473  1.8795 ?       ?      0.000000       1.879521  
1 1 1 9  9  3  o 111.300 2.5135 4550.27   205.050 4492.05   221.829  4892.05   537.456  110.562 2.7374 114.505 6.4298 -3.943008      6.988275  
1 1 1 9  9  4  o 109.356 3.0261 4397.81   242.554 4325.37   275.633  4646.44   510.646  108.393 3.4694 111.606 6.2678 -3.212891      7.163900  
1 1 1 9  9  5  o 121.643 2.7540 5439.03   245.544 5859.19   371.849  5114.17   326.968  126.041 4.0251 117.799 3.7869 8.242790       5.526459  
1 1 1 9  9  6  o 124.364 2.8194 5686.54   257.001 5977.44   380.140  5441.65   348.790  127.281 4.0747 121.474 3.9174 5.807365       5.652412  
1 1 1 9  9  7  o 86.450  1.6940 2742.22   107.343 2761.20   152.853  2723.76   150.780  86.696  2.4054 86.108  2.3890 0.5882568      3.390203  
1 1 1 9  9  8  o 47.554  1.1116 829.208   38.746  875.691   70.704   809.257   46.320   48.841  1.9750 46.973  1.3454 1.868145       2.389720  
1 1 1 9  9  9  o 105.146 2.6175 4063.92   201.728 4575.21   357.504  3825.08   244.343  111.264 4.3837 101.924 3.2707 9.339951       5.469441  
1 1 1 9  9  10 o 83.221  2.0683 2543.00   126.159 2603.55   203.881  2505.43   160.597  84.080  3.3083 82.552  2.6542 1.527512       4.241396  
1 1 1 9  9  11 o 71.935  1.5209 1898.40   80.191  1785.61   115.082  2004.85   111.802  69.721  2.2520 73.891  2.0643 -4.170067      3.054981  
1 1 1 9  9  12 o 34.837  0.7402 444.885   18.900  430.003   26.114   461.254   27.388   34.245  1.0404 35.467  1.0535 -1.222328      1.480676  
1 1 1 9  9  13 o 47.686  0.9701 833.759   33.905  833.195   55.496   834.095   42.827   47.649  1.5890 47.688  1.2253 -0.3866577E-01 2.006549  
1 1 1 9  9  14 o 46.474  1.3353 792.322   45.484  748.306   84.977   809.996   53.847   45.028  2.5856 46.980  1.5638 -1.951862      3.021673  
1 1 1 9  9  15 o 43.800  0.9046 703.432   29.041  708.994   47.747   700.165   36.587   43.953  1.4821 43.691  1.1425 0.2620583      1.871329  
1 1 1 9  9  16 o 50.641  1.0266 940.612   38.104  941.342   62.313   940.176   48.156   50.627  1.6793 50.617  1.2980 0.9437561E-02  2.122424  
1 1 1 9  9  17 f 52.291  1.1368 1003.25   43.570  985.735   65.963   1016.80   58.030   51.792  1.7376 52.620  1.5046 -0.8278160     2.298522  
1 1 1 9  9  18 o 133.910 3.0442 6638.78   298.788 6820.86   531.527  6554.67   361.271  134.284 5.4003 132.732 3.7135 1.552200       6.553887  
1 1 1 9  9  19 o 26.844  0.6313 264.243   12.421  249.976   16.864   281.161   18.364   26.103  0.8814 27.682  0.9051 -1.579506      1.263363  
1 1 1 9  9  20 o 54.021  1.0979 1071.81   43.472  1075.12   61.398   1068.49   61.561   54.047  1.5499 53.879  1.5589 0.1682472      2.198233  
1 1 1 9  9  21 o 57.132  1.1564 1199.60   48.423  1207.73   68.899   1191.67   68.071   57.244  1.6421 56.863  1.6332 0.3803711      2.316026  
1 1 1 9  9  22 o 34.042  0.7442 425.291   18.569  436.747   26.768   414.664   25.780   34.473  1.0594 33.591  1.0471 0.8817215      1.489530  
1 1 1 9  9  23 o 26.879  0.6436 265.073   12.680  282.287   18.649   250.272   17.293   27.722  0.9178 26.104  0.9038 1.618418       1.288120  
1 1 1 9  9  24 o 18.140  0.5677 120.709   7.5482  111.211   10.226   132.076   11.188   17.403  0.8017 18.966  0.8048 -1.562300      1.135969  
1 1 1 9  9  25 o 63.083  1.4757 1468.78   68.232  1452.86   96.011   1485.03   96.985   62.516  2.0953 63.205  2.0935 -0.6892586     2.961936  
1 1 1 9  9  26 o 25.138  0.6359 231.948   11.717  220.248   16.025   245.389   17.176   24.477  0.8932 25.836  0.9070 -1.358105      1.273001  
1 1 1 9  9  27 o 12.172  0.7033 54.609    6.2484  58.955    9.0868   50.712    8.6060   12.615  0.9907 11.691  1.0144 0.9242544      1.417891  
1 1 1 9  9  28 f 27.456  0.6627 276.937   13.336  281.462   18.985   272.530   18.737   27.646  0.9369 27.204  0.9397 0.4425678      1.326967  
1 1 1 9  10 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 9  10 1  o 94.615  3.0325 3293.06   210.302 3293.06   210.302  0.0000    0.0000   94.615  3.0325 ?       ?      0.000000       3.032504  
1 1 1 9  10 2  o 42.658  1.2140 667.296   37.959  667.296   37.959   0.0000    0.0000   42.658  1.2140 ?       ?      0.000000       1.214026  
1 1 1 9  10 3  o 139.368 3.4548 7154.07   352.914 7159.98   395.292  7130.84   783.445  139.337 3.8705 137.534 7.8039 1.802460       8.710991  
1 1 1 9  10 4  o 71.408  1.9892 1871.86   104.110 1955.76   125.193  1683.76   187.459  72.967  2.3409 67.468  3.8063 5.498726       4.468521  
1 1 1 9  10 5  o 165.932 3.7658 10152.33  458.005 9738.93   624.745  10632.67  673.425  162.049 5.2599 169.257 5.4283 -7.207321      7.558594  
1 1 1 9  10 6  o 59.060  1.3592 1279.37   58.838  1323.59   86.613   1241.48   80.178   60.045  1.9680 58.157  1.8809 1.887959       2.722301  
1 1 1 9  10 7  o 112.233 2.3527 4627.79   193.540 4448.17   246.803  4914.66   311.898  109.939 3.0628 115.451 3.6858 -5.512283      4.792286  
1 1 1 9  10 8  o 37.571  0.7753 517.452   21.351  543.341   31.714   495.991   28.874   38.493  1.1240 36.779  1.0711 1.714489       1.552657  
1 1 1 9  10 9  o 30.805  0.6623 347.843   14.954  338.051   20.773   358.376   21.544   30.365  0.9333 31.265  0.9401 -0.8994350     1.324758  
1 1 1 9  10 10 o 76.607  1.5094 2153.10   84.751  2104.02   117.183  2206.93   122.720  75.690  2.1123 77.515  2.1600 -1.824982      3.021128  
1 1 1 9  10 11 o 54.525  1.0942 1090.19   43.730  1023.95   58.246   1175.76   66.201   52.828  1.5043 56.605  1.5956 -3.776772      2.192888  
1 1 1 9  10 12 o 70.024  1.3886 1798.90   71.270  1813.63   101.764  1784.72   99.845   70.272  1.9757 69.711  1.9541 0.5607224      2.778841  
1 1 1 9  10 13 o 66.067  1.3111 1601.22   63.487  1562.70   101.488  1625.99   81.376   65.214  2.1232 66.555  1.6682 -1.340836      2.700138  
1 1 1 9  10 14 o 92.546  2.3036 3149.62   156.255 3621.69   398.143  3063.67   169.886  98.283  5.5496 91.240  2.5403 7.042946       6.103349  
1 1 1 9  10 15 o 133.393 2.6352 6555.56   257.647 6703.06   433.313  6474.89   320.447  134.255 4.4034 132.372 3.3028 1.882996       5.504414  
1 1 1 9  10 16 o 61.903  1.2441 1406.29   56.446  1333.91   88.307   1456.29   73.397   60.223  2.0006 62.966  1.5903 -2.743324      2.555680  
1 1 1 9  10 17 o 40.001  0.9647 586.969   28.284  614.216   50.747   574.691   34.066   40.876  1.6938 39.571  1.1745 1.305794       2.061172  
1 1 1 9  10 18 o 110.856 3.6193 4582.87   294.080 4200.99   466.744  4834.27   378.704  104.312 6.1317 113.281 4.5610 -8.969536      7.641993  
1 1 1 9  10 19 o 12.803  0.6942 60.295    6.4901  59.393    9.9837   60.956    8.5410   12.671  1.0854 12.855  0.9124 -0.1840296     1.417934  
1 1 1 9  10 20 f 67.437  1.5666 1675.22   77.437  1688.30   109.341  1662.06   109.684  67.529  2.2091 66.995  2.2337 0.5343323      3.141562  
1 1 1 9  10 21 o 47.289  1.2249 822.530   42.456  802.505   53.527   856.497   69.714   46.656  1.5653 48.115  1.9768 -1.459148      2.521443  
1 1 1 9  10 22 o 4.6327  1.1936 8.1939    4.0780  9.9806    5.5606   6.1146    5.9985   5.1303  1.4269 4.3405  1.5235 0.7898574      2.087373  
1 1 1 9  10 23 o 30.228  0.6886 335.339   15.256  328.254   21.112   343.082   22.072   29.887  0.9637 30.553  0.9856 -0.6656570     1.378484  
1 1 1 9  10 24 o 37.600  0.8096 519.202   22.312  538.320   32.371   501.899   30.796   38.245  1.1548 36.930  1.1377 1.314098       1.621101  
1 1 1 9  10 25 o 36.209  1.0089 482.273   26.775  450.398   40.637   506.726   35.593   34.897  1.5888 37.069  1.3100 -2.171951      2.059203  
1 1 1 9  10 26 o 20.583  0.5896 155.504   8.8952  152.727   12.362   158.485   12.809   20.383  0.8275 20.762  0.8417 -0.3795490     1.180328  
1 1 1 9  10 27 o 7.8051  1.1254 22.930    6.2524  21.610    7.8827   25.169    10.267   7.5073  1.4851 8.0658  1.7839 -0.5584674     2.321232  
1 1 1 9  10 28 o 15.428  0.6002 87.414    6.7874  76.070    9.0717   101.841   10.230   14.350  0.8666 16.615  0.8428 -2.264475      1.208818  
1 1 1 9  11 0  o 24.551  1.5649 223.698   27.897  0.0000    0.0000   223.698   27.897   24.551  1.5649 24.551  1.5649 0.000000       0.000000  
1 1 1 9  11 1  f 41.401  1.3653 628.704   41.432  628.704   41.432   0.0000    0.0000   41.401  1.3653 ?       ?      0.000000       1.365334  
1 1 1 9  11 2  o 46.175  1.1735 781.888   39.717  781.888   39.717   0.0000    0.0000   46.175  1.1735 ?       ?      0.000000       1.173493  
1 1 1 9  11 3  o 45.840  1.1624 770.558   39.056  777.620   44.080   744.767   84.238   46.046  1.3061 44.939  2.5681 1.106476       2.881126  
1 1 1 9  11 4  o 12.394  0.6707 56.473    6.0703  60.687    7.4418   48.095    10.494   12.842  0.7945 11.380  1.2803 1.462227       1.506823  
1 1 1 9  11 5  o 50.781  1.2830 945.766   47.754  950.438   62.006   938.956   74.868   50.892  1.6623 50.568  2.0199 0.3240128      2.615948  
1 1 1 9  11 6  o 30.477  0.7622 340.493   17.025  310.046   22.574   380.658   25.928   29.078  1.0592 32.219  1.0979 -3.140915      1.525527  
1 1 1 9  11 7  o 124.342 2.6048 5684.75   237.396 5946.98   327.897  5395.88   344.149  127.005 3.5224 120.899 3.8837 6.105736       5.243089  
1 1 1 9  11 8  o 29.558  0.6450 320.255   13.974  330.977   20.450   310.864   19.139   30.046  0.9286 29.119  0.8967 0.9267960      1.290895  
1 1 1 9  11 9  o 104.369 2.0483 4000.60   156.692 4104.34   227.630  3907.18   216.018  105.594 2.9411 103.039 2.8603 2.555092       4.102582  
1 1 1 9  11 10 o 71.335  1.4171 1866.91   74.092  1861.41   105.049  1872.36   104.517  71.191  2.0132 71.401  1.9971 -0.2102737     2.835739  
1 1 1 9  11 11 o 90.912  1.7825 3034.49   118.777 3077.87   170.509  2993.59   165.552  91.473  2.5432 90.217  2.5036 1.255844       3.568727  
1 1 1 9  11 12 o 20.117  0.5292 148.343   7.8039  157.417   11.738   141.155   10.447   20.721  0.7728 19.622  0.7264 1.099066       1.060619  
1 1 1 9  11 13 o 27.660  0.7127 280.473   14.448  277.168   24.934   282.144   17.728   27.487  1.2376 27.739  0.8719 -0.2528839     1.513933  
1 1 1 9  11 14 o 28.400  0.7341 295.712   15.281  273.061   24.660   309.832   19.470   27.280  1.2333 29.067  0.9139 -1.786594      1.534981  
1 1 1 9  11 15 f 36.193  0.7685 480.330   20.387  465.490   32.560   489.900   26.147   35.614  1.2473 36.546  0.9761 -0.9319153     1.583877  
1 1 1 9  11 16 o 92.816  1.8276 3168.51   124.330 3138.64   201.861  3186.77   157.818  92.102  2.9902 92.983  2.3156 -0.8808823     3.782016  
1 1 1 9  11 17 f 96.218  1.8967 3409.19   133.763 3359.08   215.020  3440.82   170.846  95.135  3.0836 96.520  2.4149 -1.385178      3.916691  
1 1 1 9  11 18 o 20.493  0.7099 154.037   10.662  166.899   18.488   147.628   13.052   21.282  1.1900 20.057  0.8878 1.224840       1.484661  
1 1 1 9  11 19 o 17.877  0.5332 117.185   6.9865  102.903   10.865   127.253   9.1226   16.719  0.8898 18.626  0.6682 -1.906078      1.112789  
1 1 1 9  11 20 o 52.339  1.0615 1006.62   40.720  958.244   63.704   1040.05   52.950   50.959  1.7056 53.156  1.3590 -2.197197      2.180821  
1 1 1 9  11 21 o 33.013  1.0172 400.550   24.613  395.227   33.619   406.698   36.132   32.751  1.4005 33.212  1.4843 -0.4608650     2.040723  
1 1 1 9  11 22 o 61.696  1.2425 1401.34   56.187  1337.30   75.882   1479.06   83.596   60.144  1.7213 63.225  1.8039 -3.080349      2.493425  
1 1 1 9  11 23 o 9.7080  0.6860 34.763    4.8499  39.700    6.9098   29.970    6.8088   10.353  0.9201 8.9656  1.0564 1.387794       1.400938  
1 1 1 9  11 24 o 32.590  0.7287 389.982   17.407  378.030   23.911   403.458   25.390   32.058  1.0176 33.116  1.0460 -1.057205      1.459341  
1 1 1 9  11 25 o 40.761  1.1081 611.992   33.107  669.792   57.143   582.787   40.619   42.455  1.8363 39.718  1.3953 2.737453       2.306279  
1 1 1 9  11 26 o 7.0084  0.9074 18.376    4.5520  16.492    6.3124   20.416    6.5702   6.5586  1.3578 7.3310  1.2687 -0.7723622     1.858292  
1 1 1 9  11 27 o 8.0812  0.9740 24.410    5.6528  24.484    7.1794   24.287    9.1691   8.0425  1.2592 7.9385  1.6304 0.1039877      2.060064  
1 1 1 9  12 0  o 20.963  1.3990 163.260   21.276  0.0000    0.0000   163.260   21.276   20.963  1.3990 20.963  1.3990 0.000000       0.000000  
1 1 1 9  12 1  o 93.228  3.6660 3206.42   250.509 3206.42   250.509  0.0000    0.0000   93.228  3.6660 ?       ?      0.000000       3.666021  
1 1 1 9  12 2  o 16.598  0.6720 100.982   8.1748  100.982   8.1748   0.0000    0.0000   16.598  0.6720 ?       ?      0.000000       0.6719650 
1 1 1 9  12 3  o 85.796  2.1370 2703.80   134.388 2746.61   152.725  2556.97   282.864  86.446  2.4104 82.951  4.6714 3.494568       5.256579  
1 1 1 9  12 4  o 80.630  2.2566 2388.64   133.359 2494.52   160.626  2153.72   239.251  82.356  2.6610 76.188  4.3019 6.167946       5.058393  
1 1 1 9  12 5  o 43.321  1.1086 688.209   35.202  688.702   45.714   687.491   55.176   43.327  1.4395 43.279  1.7394 0.4860306E-01  2.257765  
1 1 1 9  12 6  o 50.526  1.1679 936.251   43.252  917.429   60.097   956.477   62.297   49.999  1.6399 51.051  1.6649 -1.051861      2.336897  
1 1 1 9  12 7  o 48.957  1.0549 878.890   37.852  955.070   54.146   806.074   52.937   51.021  1.4479 46.869  1.5410 4.151897       2.114458  
1 1 1 9  12 8  o 71.756  1.4137 1889.05   74.352  1859.46   103.733  1920.31   106.627  71.154  1.9890 72.307  2.0119 -1.153015      2.829131  
1 1 1 9  12 9  o 99.253  1.9477 3618.19   141.692 3598.56   198.977  3638.39   201.820  98.876  2.7456 99.418  2.7696 -0.5419159     3.899853  
1 1 1 9  12 10 o 36.798  0.7690 496.422   20.741  507.350   30.048   486.476   28.666   37.194  1.1022 36.421  1.0738 0.7725143      1.538824  
1 1 1 9  12 11 o 32.668  0.7000 391.227   16.760  412.134   24.879   373.852   22.679   33.524  1.0125 31.930  0.9691 1.593983       1.401530  
1 1 1 9  12 12 o 41.977  0.8680 646.117   26.708  631.497   37.141   661.773   38.433   41.488  1.2214 42.471  1.2346 -0.9824066     1.736664  
1 1 1 9  12 13 o 107.840 2.4434 4283.08   193.130 4270.21   333.372  4289.59   236.940  107.146 4.2450 107.787 2.9991 -0.6414642     5.197530  
1 1 1 9  12 14 o 27.293  0.6221 273.087   12.445  256.690   19.702   283.974   16.053   26.452  1.0162 27.828  0.7870 -1.375826      1.285322  
1 1 1 9  12 15 o 45.598  0.9364 762.714   31.294  700.278   47.690   809.930   41.472   43.659  1.4903 46.973  1.2046 -3.313965      1.916227  
1 1 1 9  12 16 o 45.176  0.9257 748.811   30.651  760.502   51.000   742.201   38.349   45.481  1.5299 44.961  1.1637 0.5204849      1.922170  
1 1 1 9  12 17 o 27.315  0.6300 273.610   12.613  240.889   18.945   299.665   16.905   25.616  1.0090 28.580  0.8070 -2.963533      1.292056  
1 1 1 9  12 18 o 23.917  0.7586 209.890   13.299  223.876   22.801   202.679   16.372   24.643  1.2667 23.495  0.9507 1.147926       1.583758  
1 1 1 9  12 19 o 30.027  0.6742 330.794   14.838  369.299   26.593   313.386   17.880   31.695  1.1447 29.218  0.8349 2.476555       1.416850  
1 1 1 9  12 20 o 32.251  0.7110 381.731   16.807  383.384   27.697   380.768   21.145   32.281  1.1706 32.197  0.8960 0.8459091E-01  1.474121  
1 1 1 9  12 21 o 41.647  1.0123 637.627   30.901  567.033   48.255   686.699   40.232   39.168  1.6808 43.182  1.2711 -4.013554      2.107362  
1 1 1 9  12 22 o 64.204  1.2897 1518.90   60.692  1526.24   86.048   1511.63   85.617   64.184  1.8291 63.877  1.8287 0.3077469      2.586421  
1 1 1 9  12 23 o 61.555  1.2425 1396.18   56.060  1471.31   83.259   1333.87   75.825   63.002  1.8030 60.016  1.7237 2.985531       2.494386  
1 1 1 9  12 24 f 34.314  0.7526 432.501   18.928  440.439   27.063   424.899   26.483   34.587  1.0675 33.972  1.0635 0.6150398      1.506887  
1 1 1 9  12 25 o 7.1689  0.9906 19.281    5.0661  17.635    7.0685   21.020    7.2646   6.7725  1.4664 7.4207  1.3866 -0.6482658     2.018197  
1 1 1 9  12 26 o 13.280  0.6386 64.790    6.2157  60.588    8.2430   70.329    9.4635   12.799  0.8841 13.786  0.9422 -0.9870415     1.292081  
1 1 1 9  12 27 o 31.149  0.7174 356.741   16.379  344.981   22.429   370.180   23.976   30.585  1.0005 31.676  1.0327 -1.090853      1.437849  
1 1 1 9  13 0  o 116.770 6.6035 5102.62   561.050 0.0000    0.0000   5102.62   561.050  116.770 6.6035 116.770 6.6035 0.000000       0.000000  
1 1 1 9  13 1  o 61.950  2.4475 1411.01   111.133 1411.01   111.133  0.0000    0.0000   61.950  2.4475 ?       ?      0.000000       2.447495  
1 1 1 9  13 2  o 29.550  0.8028 320.124   17.388  312.986   19.146   353.730   41.543   29.218  0.8940 30.985  1.8374 -1.767893      2.043359  
1 1 1 9  13 3  o 70.195  1.7476 1808.79   89.917  1836.72   102.046  1711.81   190.157  70.720  1.9687 67.968  3.8327 2.751228       4.308716  
1 1 1 9  13 4  o 72.756  1.8174 1943.46   96.917  1964.67   109.641  1867.65   207.279  73.134  2.0454 70.964  4.0014 2.169617       4.493854  
1 1 1 9  13 5  o 146.352 3.6255 7907.93   388.907 7695.70   488.706  8274.41   642.211  144.041 4.6289 148.810 5.8880 -4.768784      7.489671  
1 1 1 9  13 6  o 31.455  0.7702 362.734   17.757  376.816   26.307   350.948   24.068   32.054  1.1197 30.935  1.0615 1.118671       1.542875  
1 1 1 9  13 7  o 35.427  0.8531 460.171   22.151  459.992   31.583   460.345   31.077   35.412  1.2168 35.426  1.1968 -0.1410294E-01 1.706740  
1 1 1 9  13 8  o 38.057  0.7862 531.000   21.930  510.953   30.141   553.550   31.967   37.325  1.1018 38.849  1.1226 -1.524132      1.572955  
1 1 1 9  13 9  o 25.456  0.5807 237.540   10.835  244.435   15.830   231.464   14.861   25.820  0.8365 25.126  0.8069 0.6940022      1.162238  
1 1 1 9  13 10 o 73.157  1.4445 1964.33   77.458  2018.68   112.389  1915.15   106.902  74.105  2.0692 72.184  2.0205 1.920036       2.892045  
1 1 1 9  13 11 o 34.127  0.7229 426.995   18.083  422.454   25.571   431.536   25.575   33.938  1.0280 34.301  1.0172 -0.3631287     1.446229  
1 1 1 9  13 12 o 121.354 2.3785 5424.92   211.566 5242.05   289.281  5635.22   310.215  119.004 3.3165 123.343 3.4314 -4.339066      4.772159  
1 1 1 9  13 13 o 43.566  1.2542 696.715   40.048  667.271   75.946   708.057   47.134   42.469  2.4502 43.906  1.4646 -1.437290      2.854553  
1 1 1 9  13 14 o 29.121  0.6482 310.951   13.837  296.719   22.075   320.161   17.758   28.435  1.0592 29.545  0.8200 -1.109774      1.339517  
1 1 1 9  13 15 o 7.6469  0.6887 21.618    3.8184  30.692    6.6682   17.191    4.6576   9.0880  1.0186 6.7768  0.9650 2.311204       1.403085  
1 1 1 9  13 16 o 43.073  0.8888 680.862   28.060  666.393   45.141   689.972   35.820   42.564  1.4469 43.342  1.1276 -0.7776527     1.834406  
1 1 1 9  13 17 o 57.183  1.1479 1201.76   48.111  1275.57   83.258   1164.76   58.949   58.762  1.9331 56.253  1.4297 2.509060       2.404357  
1 1 1 9  13 18 o 16.690  0.6192 102.181   7.5753  114.288   11.252   92.144    10.245   17.643  0.8701 15.816  0.8873 1.826572       1.242748  
1 1 1 9  13 19 o 21.041  0.5607 162.391   8.6476  164.159   14.244   161.359   10.883   21.139  0.9193 20.968  0.7081 0.1705761      1.160421  
1 1 1 9  13 20 o 29.600  0.7707 321.685   16.722  347.831   30.854   310.811   19.897   30.718  1.3704 29.083  0.9334 1.635180       1.658084  
1 1 1 9  13 21 o 22.743  0.5812 189.771   9.6887  182.413   15.603   194.388   12.360   22.276  0.9556 23.010  0.7329 -0.7341232     1.204309  
1 1 1 9  13 22 o 20.652  0.5656 156.490   8.5624  175.884   15.140   147.370   10.382   21.872  0.9444 20.035  0.7070 1.837053       1.179731  
1 1 1 9  13 23 o 24.331  0.6485 217.335   11.566  220.999   15.458   212.674   17.433   24.520  0.8601 24.042  0.9893 0.4779301      1.310933  
1 1 1 9  13 24 o 38.683  0.8294 550.223   23.516  544.694   32.924   555.981   33.600   38.425  1.1690 38.819  1.1809 -0.3934631     1.661643  
1 1 1 9  13 25 o 12.237  0.7005 55.217    6.2569  63.728    9.1350   47.696    8.5876   13.118  0.9567 11.325  1.0464 1.792718       1.417841  
1 1 1 9  13 26 o 16.680  0.7930 102.380   9.6954  103.164   12.700   101.284   15.010   16.686  1.0437 16.494  1.2509 0.1925716      1.629111  
1 1 1 9  14 0  o 40.642  1.6592 608.873   49.240  0.0000    0.0000   608.873   49.240   40.642  1.6592 40.642  1.6592 0.000000       0.000000  
1 1 1 9  14 1  o 128.670 4.1369 6131.10   390.156 5890.11   458.759  6760.97   741.684  125.825 4.9743 133.276 7.6242 -7.451073      9.103401  
1 1 1 9  14 2  o 78.730  1.9658 2277.01   113.436 2330.68   129.802  2103.54   233.373  79.625  2.2241 75.226  4.2499 4.399384       4.796719  
1 1 1 9  14 3  o 35.926  0.9408 473.279   24.772  473.525   27.808   472.334   54.530   35.933  1.0558 35.791  2.0877 0.1421890      2.339500  
1 1 1 9  14 4  o 60.961  1.5251 1363.99   68.146  1358.00   75.928   1388.82   154.527  60.816  1.7033 61.229  3.4574 -0.4126320     3.854214  
1 1 1 9  14 5  o 33.499  0.8905 411.468   21.865  406.526   28.170   418.959   34.680   33.291  1.1544 33.789  1.4003 -0.4981842     1.814837  
1 1 1 9  14 6  o 98.086  2.2243 3537.70   159.914 3425.34   219.023  3665.98   234.028  96.364  3.1009 99.670  3.2035 -3.305725      4.458500  
1 1 1 9  14 7  o 101.622 2.3086 3798.86   171.960 3894.06   250.132  3713.54   236.792  102.682 3.3235 100.298 3.2210 2.384834       4.628240  
1 1 1 9  14 8  o 7.4096  0.6590 20.287    3.5415  28.929    5.3728   13.647    4.7093   8.8426  0.8390 6.0042  1.1110 2.838350       1.392232  
1 1 1 9  14 9  o 65.735  1.3008 1585.79   62.673  1540.55   86.266   1636.35   91.206   64.749  1.8177 66.727  1.8648 -1.978142      2.604190  
1 1 1 9  14 10 o 54.259  1.0875 1080.11   43.249  1083.85   61.525   1076.44   60.807   54.324  1.5452 54.139  1.5324 0.1850967      2.176172  
1 1 1 9  14 11 o 64.697  1.2825 1536.58   60.819  1509.55   84.721   1565.32   87.361   64.073  1.8040 65.244  1.8268 -1.170174      2.567426  
1 1 1 9  14 12 o 80.438  1.6973 2378.97   100.066 2263.95   145.997  2480.87   137.422  78.310  2.5436 82.034  2.2855 -3.723442      3.419553  
1 1 1 9  14 13 o 44.155  1.0396 715.514   33.646  732.284   48.586   700.060   46.640   44.637  1.4850 43.646  1.4579 0.9908943      2.081074  
1 1 1 9  14 14 o 60.284  1.2042 1334.88   53.209  1373.79   89.530   1313.62   66.161   61.034  2.0013 59.763  1.5104 1.270763       2.507328  
1 1 1 9  14 15 o 26.164  0.6095 251.061   11.689  233.705   18.427   262.749   15.121   25.229  0.9965 26.761  0.7709 -1.531872      1.259851  
1 1 1 9  14 16 o 77.655  1.5486 2222.02   88.141  2265.94   146.148  2196.91   110.499  78.055  2.5545 77.090  1.9556 0.9641800      3.217143  
1 1 1 9  14 17 o 42.016  0.8706 648.239   26.812  652.074   44.222   646.009   33.716   42.069  1.4342 41.919  1.0974 0.1498947      1.805816  
1 1 1 9  14 18 o 35.723  0.8869 468.791   23.223  448.073   31.836   492.350   33.950   34.885  1.2451 36.565  1.2668 -1.679985      1.776218  
1 1 1 9  14 19 o 13.816  0.5526 70.021    5.5963  65.911    8.6583   72.970    7.3341   13.364  0.8890 14.081  0.7129 -0.7166529     1.139546  
1 1 1 9  14 20 o 18.388  0.7174 124.141   9.6692  123.046   17.363   124.634   11.641   18.223  1.3087 18.417  0.8624 -0.1945648     1.567278  
1 1 1 9  14 21 o 23.651  0.5948 205.277   10.312  189.449   16.302   215.835   13.314   22.695  0.9800 24.242  0.7493 -1.547173      1.233620  
1 1 1 9  14 22 o 37.193  0.7960 508.301   21.699  502.805   35.359   511.621   27.483   36.910  1.3070 37.286  1.0056 -0.3756599     1.649103  
1 1 1 9  14 23 o 16.631  0.5511 101.516   6.7180  85.084    10.159   114.286   8.9557   15.179  0.9174 17.639  0.6927 -2.459980      1.149577  
1 1 1 9  14 24 o 36.182  0.8447 481.797   22.401  443.637   31.883   519.003   31.481   34.633  1.2560 37.488  1.1457 -2.855282      1.700063  
1 1 1 9  14 25 o 2.5347  1.1419 -2.2760   4.4721  -4.1510   6.2318   -0.2852   6.4214   2.8853  1.3187 3.3800  1.4490 -0.4947035     1.959260  
1 1 1 9  14 26 o 11.932  0.8440 52.689    7.3341  50.043    9.0641   57.707    12.481   11.590  1.0794 12.390  1.3988 -0.7998171     1.766861  
1 1 1 9  15 0  o 18.695  0.9475 129.116   12.907  0.0000    0.0000   129.116   12.907   18.695  0.9475 18.695  0.9475 0.000000       0.000000  
1 1 1 9  15 1  o 75.942  2.1105 2120.33   117.476 2134.43   136.555  2080.18   230.426  76.152  2.4465 74.746  4.2232 1.405434       4.880656  
1 1 1 9  15 2  o 51.573  1.2995 975.946   49.122  976.526   55.023   973.667   109.024  51.580  1.4554 51.305  2.9112 0.2750549      3.254732  
1 1 1 9  15 3  o 82.739  2.0597 2516.67   124.907 2544.54   141.282  2416.92   267.290  83.161  2.3179 80.474  4.5502 2.687355       5.106552  
1 1 1 9  15 4  o 71.299  1.7765 1867.47   92.842  1878.37   104.468  1826.51   202.507  71.485  1.9938 70.077  3.9588 1.408302       4.432545  
1 1 1 9  15 5  o 39.659  1.0320 576.900   29.999  589.300   34.316   536.701   61.786   40.078  1.1682 38.131  2.2203 1.947609       2.508870  
1 1 1 9  15 6  o 77.288  1.9264 2195.84   109.130 2157.34   138.782  2258.20   176.646  76.531  2.4741 78.191  3.0822 -1.659927      3.952373  
1 1 1 9  15 7  o 68.699  1.5671 1733.36   78.910  1761.59   113.542  1706.98   109.745  69.178  2.2393 68.102  2.1986 1.075272       3.138181  
1 1 1 9  15 8  o 60.879  1.2922 1360.44   57.660  1354.82   76.167   1367.98   88.248   60.716  1.7115 60.982  1.9743 -0.2659111     2.612915  
1 1 1 9  15 9  o 51.604  1.0395 977.042   39.318  988.472   56.429   966.256   54.814   51.874  1.4842 51.289  1.4581 0.5841446      2.080559  
1 1 1 9  15 10 o 52.561  1.0534 1013.76   40.583  980.206   55.747   1051.59   59.194   51.652  1.4725 53.496  1.5096 -1.844349      2.108868  
1 1 1 9  15 11 o 22.772  0.5561 190.120   9.2817  168.185   12.269   219.475   14.193   21.414  0.7817 24.462  0.7916 -3.048029      1.112486  
1 1 1 9  15 12 o 26.167  0.6854 251.112   13.145  256.705   23.424   248.541   15.881   26.437  1.2088 26.028  0.8325 0.4087658      1.467716  
1 1 1 9  15 13 o 51.975  1.1285 992.217   42.990  1060.08   60.324   922.186   61.282   53.672  1.5334 50.040  1.6708 3.631596       2.267853  
1 1 1 9  15 14 o 21.447  0.5473 168.671   8.6029  159.226   13.836   174.623   10.984   20.826  0.9064 21.818  0.6869 -0.9916801     1.137269  
1 1 1 9  15 15 o 58.068  1.1681 1239.95   49.715  1124.79   74.274   1333.42   66.915   55.169  1.8368 60.147  1.5178 -4.978603      2.382793  
1 1 1 9  15 16 o 42.966  0.8863 678.015   27.912  676.423   45.692   678.963   35.256   42.837  1.4552 42.968  1.1194 -0.1313362     1.835995  
1 1 1 9  15 17 o 21.251  0.5517 165.662   8.5940  164.251   14.162   166.485   10.813   21.142  0.9139 21.297  0.6927 -0.1554985     1.146712  
1 1 1 9  15 18 o 30.744  0.7273 347.029   16.388  336.699   24.668   355.190   21.926   30.246  1.1127 31.082  0.9624 -0.8360405     1.471180  
1 1 1 9  15 19 o 35.280  0.8766 457.444   22.668  495.155   43.184   443.102   26.631   36.583  1.6105 34.702  1.0470 1.881424       1.920941  
1 1 1 9  15 20 o 28.719  0.8298 303.090   17.468  344.242   40.631   293.759   19.347   30.394  1.8324 28.263  0.9339 2.130394       2.056721  
1 1 1 9  15 21 o 37.648  0.8031 520.866   22.162  534.538   37.272   513.388   27.564   38.045  1.3366 37.347  1.0069 0.6986847      1.673435  
1 1 1 9  15 22 o 38.547  0.8238 546.353   23.276  510.621   36.178   571.591   30.405   37.167  1.3280 39.386  1.0532 -2.218994      1.694963  
1 1 1 9  15 23 o 28.115  0.6664 290.460   13.732  318.698   24.129   276.931   16.701   29.379  1.1205 27.433  0.8306 1.946699       1.394796  
1 1 1 9  15 24 o 21.081  0.7848 163.560   12.126  174.496   20.990   158.081   14.856   21.651  1.3291 20.701  0.9791 0.9497719      1.650803  
1 1 1 9  15 25 o 17.516  0.6097 112.741   7.8277  110.115   12.093   114.635   10.270   17.250  0.9602 17.646  0.7940 -0.3957767     1.246005  
1 1 1 9  16 0  o 2.4496  1.5286 1.2803    5.5980  0.0000    0.0000   1.2803    5.5980   2.4496  1.5286 2.4496  1.5286 0.000000       0.000000  
1 1 1 9  16 1  f 82.566  2.2955 2510.17   138.921 2527.38   161.543  2461.32   272.198  82.782  2.6624 81.063  4.6002 1.718346       5.315066  
1 1 1 9  16 2  o 12.736  0.6568 59.630    6.1102  60.549    7.2901   57.462    11.202   12.826  0.7791 12.451  1.2441 0.3753605      1.467969  
1 1 1 9  16 3  o 36.700  0.8775 493.958   23.604  500.446   26.243   466.477   54.011   36.937  0.9693 35.545  2.0822 1.392368       2.296803  
1 1 1 9  16 4  o 36.077  0.8635 477.350   22.834  471.469   24.802   510.055   58.492   35.852  0.9438 37.161  2.1568 -1.308578      2.354269  
1 1 1 9  16 5  o 38.763  1.1276 551.388   32.038  559.947   37.672   529.018   60.901   39.054  1.3161 37.836  2.2056 1.218029       2.568427  
1 1 1 9  16 6  o 43.227  1.0283 685.601   32.579  720.645   48.363   656.486   44.082   44.290  1.4898 42.277  1.4226 2.012928       2.059916  
1 1 1 9  16 7  o 47.349  1.1033 822.782   38.289  807.846   53.650   838.287   54.663   46.884  1.5612 47.759  1.5616 -0.8751335     2.208140  
1 1 1 9  16 8  o 91.094  1.9192 3055.23   128.141 3026.25   168.543  3094.93   197.266  90.504  2.5407 91.399  2.9446 -0.8949127     3.889242  
1 1 1 9  16 9  f 40.511  0.8323 602.023   24.713  593.948   34.537   610.497   35.378   40.220  1.1716 40.775  1.1837 -0.5556450     1.665460  
1 1 1 9  16 10 f 12.137  0.4892 54.003    4.3514  48.334    6.2164   59.450    6.0931   11.455  0.7444 12.715  0.6560 -1.260297      0.9922251 
1 1 1 9  16 11 f 14.392  0.4787 75.935    5.0498  71.556    7.2745   80.007    7.0155   13.949  0.7139 14.770  0.6480 -0.8212070     0.9641754 
1 1 1 9  16 12 o 27.031  0.7579 268.090   15.016  267.307   32.424   268.303   16.942   26.881  1.6537 27.037  0.8549 -0.1558666     1.861574  
1 1 1 9  16 13 o 45.530  0.9322 761.307   31.111  755.913   43.639   766.883   44.365   45.322  1.3137 45.648  1.3260 -0.3258896     1.866526  
1 1 1 9  16 14 o 23.201  0.5637 197.450   9.5869  203.366   14.131   192.406   13.049   23.535  0.8192 22.894  0.7776 0.6408634      1.129524  
1 1 1 9  16 15 o 46.391  0.9466 790.875   32.187  765.098   51.302   807.608   41.335   45.528  1.5374 46.840  1.2040 -1.312431      1.952707  
1 1 1 9  16 16 f 20.381  0.5434 152.383   8.1172  146.719   13.199   155.829   10.294   19.980  0.9013 20.604  0.6816 -0.6234245     1.130016  
1 1 1 9  16 17 o 38.505  0.8101 544.662   22.863  539.531   37.412   547.720   28.884   38.244  1.3346 38.585  1.0213 -0.3411484     1.680575  
1 1 1 9  16 18 o 29.923  0.6765 328.727   14.836  323.424   24.077   331.973   18.838   29.636  1.1084 30.054  0.8552 -0.4182568     1.399951  
1 1 1 9  16 19 o 25.063  0.7959 230.820   14.621  241.765   25.343   225.359   17.900   25.550  1.3581 24.747  0.9868 0.8031425      1.678806  
1 1 1 9  16 20 o 25.213  0.6227 233.384   11.508  223.175   18.650   239.662   14.625   24.618  1.0336 25.537  0.7813 -0.9195137     1.295676  
1 1 1 9  16 21 o 7.9370  1.2378 23.810    6.9662  38.785    17.014   20.794    7.6356   9.9527  2.3669 7.3657  1.4659 2.586990       2.784026  
1 1 1 9  16 22 o 14.695  0.5545 79.290    5.9722  83.058    10.053   77.235    7.4243   14.987  0.9196 14.495  0.6988 0.4921179      1.154977  
1 1 1 9  16 23 o 14.676  0.5634 79.108    6.0605  73.195    9.8417   82.721    7.6919   14.054  0.9612 14.998  0.6997 -0.9438143     1.188910  
1 1 1 9  16 24 o 35.689  0.7817 468.990   20.448  463.776   33.211   472.173   25.950   35.350  1.2818 35.759  0.9901 -0.4092255     1.619647  
1 1 1 9  17 0  o 11.634  0.9334 50.578    7.8414  0.0000    0.0000   50.578    7.8414   11.634  0.9334 11.634  0.9334 0.000000       0.000000  
1 1 1 9  17 1  o 43.321  1.2436 689.074   39.488  662.247   43.925   802.076   90.152   42.458  1.4115 46.510  2.6556 -4.051678      3.007380  
1 1 1 9  17 2  o 21.250  0.6430 165.575   10.014  175.445   11.769   139.682   19.063   21.873  0.7341 19.455  1.3451 2.417522       1.532369  
1 1 1 9  17 3  o 28.273  0.7106 293.138   14.725  298.395   16.463   272.114   32.925   28.523  0.7875 27.151  1.6624 1.371965       1.839520  
1 1 1 9  17 4  o 54.589  1.2580 1094.35   50.334  1110.61   55.966   1025.53   115.129  54.980  1.3888 52.507  3.0040 2.473824       3.309477  
1 1 1 9  17 5  o 57.789  1.3431 1226.90   56.892  1239.73   70.528   1203.00   96.259   58.054  1.6575 57.090  2.3004 0.9643555      2.835344  
1 1 1 9  17 6  o 79.673  1.9931 2339.68   116.392 2338.99   150.538  2340.70   183.525  79.508  2.5832 79.351  3.1554 0.1567307      4.077954  
1 1 1 9  17 7  o 23.702  0.7026 206.039   12.207  203.989   16.044   208.856   18.809   23.577  0.9284 23.851  1.0759 -0.2741356     1.421116  
1 1 1 9  17 8  o 35.869  0.8647 472.106   22.733  455.720   31.537   489.831   32.799   35.218  1.2217 36.512  1.2256 -1.293999      1.730509  
1 1 1 9  17 9  o 32.682  0.7418 391.857   17.769  384.343   23.373   402.145   27.351   32.354  0.9856 33.085  1.1279 -0.7312965     1.497846  
1 1 1 9  17 10 o 36.860  0.7710 498.579   20.829  477.944   28.538   522.104   30.471   36.067  1.0795 37.694  1.1029 -1.627361      1.543265  
1 1 1 9  17 11 f 23.542  0.5615 203.265   9.6889  202.232   13.873   204.248   13.538   23.472  0.8064 23.590  0.7830 -0.1177616     1.123945  
1 1 1 9  17 12 o 36.980  0.9777 502.534   26.501  456.726   38.188   545.089   36.806   35.193  1.4804 38.474  1.3052 -3.280373      1.973613  
1 1 1 9  17 13 o 23.747  0.5729 206.870   9.9714  211.372   14.577   202.912   13.670   23.990  0.8290 23.508  0.7934 0.4828949      1.147471  
1 1 1 9  17 14 o 42.972  0.8864 678.579   27.918  679.755   39.643   677.422   39.324   42.950  1.2593 42.878  1.2513 0.7229233E-01  1.775208  
1 1 1 9  17 15 f 66.331  1.3252 1623.14   64.428  1534.93   100.134  1685.45   84.162   64.169  2.1290 67.447  1.7024 -3.278091      2.725971  
1 1 1 9  17 16 o 24.818  0.5918 226.034   10.765  230.454   18.124   223.625   13.381   25.028  0.9880 24.675  0.7398 0.3527355      1.234290  
1 1 1 9  17 17 o 26.161  0.7188 251.367   13.783  262.702   20.410   241.866   18.687   26.712  1.0424 25.636  0.9945 1.075968       1.440735  
1 1 1 9  17 18 o 47.635  1.0446 835.649   36.473  834.802   55.963   836.275   48.089   47.452  1.6090 47.566  1.3793 -0.1145363     2.119335  
1 1 1 9  17 19 o 13.244  0.9823 64.937    9.4678  0.0000    0.0000   64.937    9.4678   ?       ?      13.244  0.9823 0.000000       0.9823097 
1 1 1 9  17 20 o 18.193  0.5586 121.509   7.4493  125.352   12.681   119.485   9.2049   18.426  0.9421 18.032  0.6964 0.3933201      1.171591  
1 1 1 9  17 21 o 19.500  0.5693 139.647   8.1373  125.592   13.064   148.557   10.402   18.430  0.9705 20.100  0.7060 -1.670841      1.200164  
1 1 1 9  17 22 o 13.947  0.5762 71.471    5.8904  65.501    9.3832   75.354    7.5672   13.287  0.9702 14.293  0.7247 -1.005663      1.210973  
1 1 1 9  17 23 o 20.450  0.5827 153.695   8.7339  171.672   15.380   145.137   10.611   21.560  0.9733 19.857  0.7291 1.702436       1.216032  
1 1 1 9  18 0  o 29.317  1.2672 317.156   27.113  0.0000    0.0000   317.156   27.113   29.317  1.2672 29.317  1.2672 0.000000       0.000000  
1 1 1 9  18 1  o 105.160 2.9466 4110.06   227.121 3979.17   253.734  4637.66   509.427  103.260 3.3525 108.751 6.4195 -5.490326      7.242152  
1 1 1 9  18 2  o 34.607  0.9120 439.512   23.132  454.172   26.709   395.504   46.276   35.172  1.0360 32.693  1.9398 2.479408       2.199180  
1 1 1 9  18 3  o 36.703  0.9606 494.473   25.841  491.988   28.884   504.435   57.844   36.603  1.0766 36.893  2.1484 -0.2894974     2.403091  
1 1 1 9  18 4  o 57.255  1.3197 1205.16   55.382  1190.43   60.042   1289.13   143.386  56.887  1.4400 58.627  3.3507 -1.740158      3.646992  
1 1 1 9  18 5  o 39.529  0.9385 573.604   27.190  571.645   33.265   577.546   47.194   39.444  1.1506 39.597  1.6261 -0.1527901     1.991998  
1 1 1 9  18 6  o 10.064  0.6307 37.295    4.6289  35.753    5.6526   40.433    8.0653   9.8392  0.7905 10.437  1.0694 -0.5980310     1.329818  
1 1 1 9  18 7  o 72.304  1.6531 1927.67   87.607  1895.15   122.029  1962.26   125.850  71.477  2.3292 72.719  2.3611 -1.242455      3.316687  
1 1 1 9  18 8  o 55.675  1.2843 1140.62   52.412  1113.22   72.766   1170.16   75.555   54.893  1.8085 56.274  1.8318 -1.380623      2.574144  
1 1 1 9  18 9  o 40.629  0.8937 606.288   26.614  583.825   34.227   640.640   42.326   39.838  1.1722 41.701  1.3848 -1.862625      1.814278  
1 1 1 9  18 10 o 41.092  0.8458 620.172   25.474  622.988   36.260   617.427   35.796   41.140  1.2025 40.957  1.1924 0.1825218      1.693459  
1 1 1 9  18 11 o 46.154  1.0046 783.248   33.984  786.770   52.439   780.698   44.622   46.152  1.5502 46.023  1.3228 0.1294250      2.037866  
1 1 1 9  18 12 o 39.343  0.9419 569.049   27.161  553.269   37.371   586.718   39.543   38.736  1.3162 39.883  1.3527 -1.146866      1.887423  
1 1 1 9  18 13 o 16.053  0.5319 94.545    6.2585  87.667    8.4103   103.080   9.3687   15.450  0.7427 16.752  0.7630 -1.302126      1.064804  
1 1 1 9  18 14 o 42.533  1.1218 666.430   34.972  681.254   46.213   646.562   53.501   42.924  1.4689 41.740  1.7487 1.184063       2.283769  
1 1 1 9  18 15 o 19.534  0.5254 140.008   7.5223  137.158   10.802   142.692   10.481   19.321  0.7628 19.710  0.7255 -0.3882999     1.052731  
1 1 1 9  18 16 o 14.182  0.5286 73.809    5.4953  80.786    9.5480   70.353    6.7198   14.794  0.8846 13.841  0.6624 0.9530449      1.105066  
1 1 1 9  18 17 o 34.133  0.7383 428.111   18.470  424.665   30.378   430.131   23.264   33.918  1.2219 34.187  0.9284 -0.2697372     1.534623  
1 1 1 9  18 18 o 14.741  0.5368 79.756    5.7998  87.743    10.242   75.986    7.0367   15.412  0.9107 14.382  0.6675 1.030332       1.129126  
1 1 1 9  18 19 f 4.5113  1.5615 6.8463    6.2903  8.5805    7.0133   -0.2878   14.225   4.9369  1.6499 5.0246  2.1555 -0.8771753E-01 2.714431  
1 1 1 9  18 20 o 30.144  0.7273 334.272   16.070  331.010   24.832   336.622   21.079   29.916  1.1325 30.209  0.9520 -0.2928658     1.479438  
1 1 1 9  18 21 o 36.183  0.7850 482.184   20.818  479.237   34.269   483.907   26.209   35.916  1.3017 36.195  0.9879 -0.2786140     1.634184  
1 1 1 9  18 22 o 23.035  0.6008 195.074   10.143  212.105   17.795   186.879   12.345   23.950  1.0137 22.526  0.7477 1.423319       1.259613  
1 1 1 9  19 0  o 29.871  1.8011 331.803   39.106  0.0000    0.0000   331.803   39.106   29.871  1.8011 29.871  1.8011 0.000000       0.000000  
1 1 1 9  19 1  o 10.407  0.7248 39.937    5.4948  39.937    5.4948   0.0000    0.0000   10.407  0.7248 ?       ?      0.000000       0.7248494 
1 1 1 9  19 2  o 38.229  1.0024 536.912   28.087  525.291   30.918   591.799   67.193   37.802  1.1159 39.861  2.3097 -2.059006      2.565173  
1 1 1 9  19 3  o 42.570  1.0018 665.823   31.260  653.662   37.691   692.623   55.951   42.154  1.2199 43.303  1.7628 -1.149635      2.143761  
1 1 1 9  19 4  o 38.298  0.8446 538.541   23.709  533.419   27.933   551.739   44.841   38.101  1.0002 38.673  1.5819 -0.5723991     1.871608  
1 1 1 9  19 5  o 30.570  0.7629 343.034   17.095  338.469   20.860   352.371   29.830   30.353  0.9376 30.934  1.3157 -0.5806293     1.615581  
1 1 1 9  19 6  o 49.102  1.1481 887.060   41.321  889.140   50.912   883.046   70.732   49.110  1.4144 48.803  1.9773 0.3064003      2.431131  
1 1 1 9  19 7  o 37.137  0.8960 506.748   24.389  528.537   31.052   471.663   39.403   37.900  1.1178 35.746  1.5039 2.154934       1.873861  
1 1 1 9  19 8  o 17.139  0.5912 107.775   7.4267  109.873   10.719   105.838   10.299   17.294  0.8457 16.974  0.8278 0.3196907      1.183398  
1 1 1 9  19 9  o 38.333  1.0127 540.477   28.454  519.463   35.663   577.289   47.201   37.537  1.2962 39.503  1.6302 -1.965942      2.082739  
1 1 1 9  19 10 o 18.528  0.5681 125.965   7.7145  129.550   9.9486   120.558   12.218   18.783  0.7226 18.084  0.9249 0.6987038      1.173706  
1 1 1 9  19 11 o 31.688  0.7882 368.966   18.306  374.655   32.525   366.328   22.146   31.843  1.3936 31.555  0.9575 0.2876911      1.690845  
1 1 1 9  19 12 o 37.474  0.8439 516.249   23.179  527.668   31.215   502.213   34.608   37.840  1.1255 36.886  1.2801 0.9539070      1.704484  
1 1 1 9  19 13 o 30.038  0.6614 331.336   14.562  340.382   21.163   323.202   20.068   30.414  0.9493 29.639  0.9238 0.7742214      1.324609  
1 1 1 9  19 14 o 11.484  0.5169 48.395    4.3505  43.047    6.3005   53.268    6.0145   10.792  0.8023 12.023  0.6853 -1.231482      1.055154  
1 1 1 9  19 15 o 3.2866  1.1233 3.6510    3.2514  -5.6171   5.0025   10.430    4.2783   2.3592  1.1125 5.2164  1.1499 -2.857214      1.599966  
1 1 1 9  19 16 o 17.162  0.5162 108.101   6.4935  100.120   10.596   112.901   8.2173   16.471  0.8809 17.533  0.6394 -1.061605      1.088514  
1 1 1 9  19 17 o 39.315  0.8273 568.756   23.841  590.299   40.618   557.434   29.446   39.906  1.3887 38.878  1.0334 1.028591       1.730951  
1 1 1 9  19 18 o 18.465  0.5391 125.200   7.2964  120.794   12.098   127.719   9.1474   18.081  0.9159 18.640  0.6695 -0.5590858     1.134503  
1 1 1 9  19 19 f 18.340  0.6414 123.674   8.6223  123.871   12.609   123.500   11.817   18.297  0.9434 18.301  0.8810 -0.4503250E-02 1.290778  
1 1 1 9  19 20 o 17.379  0.6467 111.089   8.2372  100.620   16.012   114.857   9.6058   16.388  1.3449 17.661  0.7421 -1.272997      1.536068  
1 1 1 9  19 21 o 22.247  0.5875 181.972   9.5795  166.882   15.396   191.505   12.237   21.242  0.9888 22.802  0.7322 -1.560083      1.230390  
1 1 1 9  20 0  o 21.320  1.3999 169.273   21.659  0.0000    0.0000   169.273   21.659   21.320  1.3999 21.320  1.3999 0.000000       0.000000  
1 1 1 9  20 1  o 35.232  1.0414 456.618   26.893  456.618   26.893   0.0000    0.0000   35.232  1.0414 ?       ?      0.000000       1.041415  
1 1 1 9  20 2  o 12.310  0.5572 55.592    5.0269  54.755    6.2098   57.182    8.5619   12.193  0.6977 12.436  0.9464 -0.2428322     1.175834  
1 1 1 9  20 3  o 44.891  1.1556 742.095   38.022  757.140   50.160   721.775   58.294   45.267  1.5118 44.121  1.8026 1.145882       2.352632  
1 1 1 9  20 4  o 37.610  1.1038 520.750   30.429  519.832   35.297   523.408   60.048   37.548  1.2826 37.395  2.2005 0.1526527      2.546996  
1 1 1 9  20 5  o 24.109  0.5989 213.309   10.584  235.752   15.266   192.535   14.687   25.331  0.8222 22.888  0.8755 2.443083       1.201054  
1 1 1 9  20 6  o 26.673  0.6377 261.155   12.467  256.845   16.492   266.901   19.042   26.436  0.8512 26.938  0.9644 -0.5017395     1.286322  
1 1 1 9  20 7  f 33.613  0.8272 415.233   20.380  432.056   25.792   387.270   33.252   34.261  1.0271 32.375  1.4013 1.885101       1.737374  
1 1 1 9  20 8  o 5.8282  1.0941 12.919    4.5020  14.645    6.1501   10.927    6.6082   6.1742  1.3922 5.3823  1.5749 0.7918882      2.102038  
1 1 1 9  20 9  o 19.527  0.6150 139.985   8.8024  143.037   13.076   137.455   11.903   19.719  0.9047 19.335  0.8399 0.3835220      1.234515  
1 1 1 9  20 10 o 35.340  0.8604 459.332   22.286  461.099   32.154   457.698   30.917   35.341  1.2413 35.219  1.1977 0.1217155      1.724891  
1 1 1 9  20 11 o 46.901  1.2071 811.942   41.497  823.945   92.781   808.940   46.396   46.495  2.7346 46.772  1.3534 -0.2762299     3.051140  
1 1 1 9  20 12 o 8.4136  0.6041 26.125    3.7007  27.665    5.5611   24.901    4.9579   8.6251  0.8926 8.1858  0.8382 0.4392223      1.224421  
1 1 1 9  20 13 o 35.910  0.7620 474.089   20.057  455.003   27.608   495.420   29.187   35.126  1.0723 36.650  1.0865 -1.523853      1.526565  
1 1 1 9  20 14 o 30.427  0.6726 340.166   15.000  331.951   21.095   348.569   21.335   30.018  0.9587 30.763  0.9462 -0.7442532     1.347021  
1 1 1 9  20 15 o 4.0282  1.0842 6.1919    3.2716  3.6370    5.0029   8.1009    4.3245   3.6517  1.3745 4.6043  1.2495 -0.9525571     1.857578  
1 1 1 9  20 16 o 8.3756  0.6240 25.918    3.8030  26.824    5.9120   25.279    4.9671   8.4744  0.9692 8.2445  0.8334 0.2298307      1.278268  
1 1 1 9  20 17 o 32.006  0.7093 376.910   16.641  389.539   28.252   370.202   20.591   32.422  1.1888 31.685  0.8866 0.7374649      1.483072  
1 1 1 9  20 18 o 24.949  0.6987 229.099   12.777  222.866   22.408   232.102   15.554   24.459  1.2541 25.086  0.8459 -0.6272411     1.512740  
1 1 1 9  20 19 o 38.821  0.8291 556.015   23.592  549.241   38.569   560.064   29.821   38.363  1.3716 38.886  1.0463 -0.5227089     1.725158  
1 1 1 9  20 20 o 23.702  0.7976 207.206   13.856  177.722   21.279   228.914   18.258   21.787  1.3390 24.868  1.0017 -3.080362      1.672217  
1 1 1 9  21 0  o 1.8638  1.2919 -5.1887   6.1096  0.0000    0.0000   -5.1887   6.1096   1.8638  1.2919 1.8638  1.2919 0.000000       0.000000  
1 1 1 9  21 1  o 15.163  0.6779 84.439    7.5344  84.439    7.5344   0.0000    0.0000   15.163  0.6779 ?       ?      0.000000       0.6779269 
1 1 1 9  21 2  o 6.8275  0.7204 17.314    3.5506  15.299    4.6453   20.147    5.5066   6.3652  1.0309 7.3211  1.0568 -0.9558625     1.476359  
1 1 1 9  21 3  o 31.426  0.8530 363.193   19.647  369.552   31.773   359.257   24.999   31.613  1.3713 31.220  1.0925 0.3923779      1.753246  
1 1 1 9  21 4  o 66.818  1.6865 1659.01   82.594  0.0000    0.0000   1659.01   82.594   ?       ?      66.818  1.6865 0.000000       1.686450  
1 1 1 9  21 5  o 8.6604  0.7679 27.783    4.8241  17.072    16.802   28.745    5.0361   7.1680  2.5465 8.8078  0.7884 -1.639732      2.665756  
1 1 1 9  21 6  o 16.725  0.5352 102.662   6.5613  94.735    8.5575   113.970   10.221   16.057  0.7271 17.607  0.7920 -1.550388      1.075150  
1 1 1 9  21 7  o 12.640  0.5868 58.656    5.4365  56.250    6.7172   63.226    9.2564   12.349  0.7456 13.067  0.9734 -0.7182732     1.226184  
1 1 1 9  21 8  o 48.956  1.0618 883.537   38.102  887.913   50.852   877.935   57.533   48.964  1.4169 48.612  1.6147 0.3517113      2.148229  
1 1 1 9  21 9  o 10.639  0.7118 41.778    5.5184  37.800    7.3323   46.975    8.3805   10.079  1.0060 11.243  1.0284 -1.164201      1.438601  
1 1 1 9  21 10 o 36.097  0.9717 480.080   25.711  463.854   32.621   506.687   41.773   35.419  1.2566 36.936  1.5430 -1.516411      1.989935  
1 1 1 9  21 11 o 29.636  0.9068 323.437   19.698  314.355   27.130   333.560   28.645   29.149  1.2698 30.019  1.3019 -0.8699627     1.818612  
1 1 1 9  21 12 o 43.655  0.9003 701.872   28.808  696.365   40.687   707.408   40.793   43.374  1.2798 43.719  1.2730 -0.3448448     1.805114  
1 1 1 9  21 13 o 15.499  0.5049 88.183    5.7357  85.700    8.3228   90.430    7.9155   15.264  0.7439 15.684  0.6886 -0.4196119     1.013652  
1 1 1 9  21 14 o 25.089  0.5930 231.254   10.904  243.283   16.206   221.303   14.739   25.697  0.8604 24.515  0.8203 1.182470       1.188746  
1 1 1 9  21 15 o 9.0427  0.5953 30.182    3.9239  41.527    6.2461   22.786    5.0433   10.586  0.8112 7.8094  0.8974 2.776831       1.209653  
1 1 1 9  21 16 o 23.880  0.5845 209.641   10.231  220.952   15.349   200.597   13.724   24.472  0.8557 23.327  0.8027 1.145166       1.173246  
1 1 1 9  21 17 o 15.547  0.5204 88.821    5.9297  80.329    8.4905   96.906    8.2850   14.738  0.7888 16.222  0.6968 -1.483174      1.052514  
1 1 1 9  21 18 o 7.7421  0.8885 22.438    4.9506  14.080    8.3749   26.928    6.1378   6.0368  1.7748 8.4672  1.0089 -2.430343      2.041521  
1 1 1 9  21 19 o 8.6899  0.6832 27.983    4.3165  33.714    7.7643   25.420    5.1930   9.4591  1.1431 8.2497  0.8720 1.209437       1.437717  
1 1 1 9  22 0  o 23.260  1.5280 202.112   25.792  202.112   25.792   0.0000    0.0000   23.260  1.5280 23.260  1.5280 0.000000       0.000000  
1 1 1 9  22 1  o 29.861  0.7604 327.858   16.643  342.236   20.908   302.990   27.497   30.483  0.9358 28.615  1.3110 1.868929       1.610721  
1 1 1 9  22 2  o 35.013  0.7878 450.867   20.217  458.217   27.200   441.794   30.221   35.249  1.0528 34.581  1.1923 0.6679840      1.590584  
1 1 1 9  22 3  o 18.675  0.4997 128.000   6.8407  116.312   10.925   135.538   8.7736   17.779  0.8383 19.210  0.6231 -1.430386      1.044543  
1 1 1 9  22 4  o 23.133  0.5473 196.465   9.2794  191.917   15.272   199.127   11.684   22.829  0.9127 23.278  0.6848 -0.4493961     1.141016  
1 1 1 9  22 5  o 16.098  0.4810 95.097    5.6748  98.762    9.9520   93.331    6.9080   16.362  0.8326 15.942  0.5912 0.4197149      1.021153  
1 1 1 9  22 6  o 32.106  0.6867 378.833   16.160  372.251   26.438   382.759   20.418   31.747  1.1362 32.245  0.8639 -0.4977150     1.427324  
1 1 1 9  22 7  o 14.146  0.4833 73.440    5.0112  67.392    7.2508   78.971    6.9336   13.518  0.7345 14.661  0.6452 -1.142220      0.9776990 
1 1 1 9  22 8  o 6.6259  0.6965 16.316    3.3320  21.131    5.3012   13.171    4.2840   7.5067  0.9874 5.8909  1.0297 1.615832       1.426625  
1 1 1 9  22 9  o 26.252  0.6433 253.244   12.378  246.532   16.353   262.249   18.940   25.874  0.8623 26.669  0.9689 -0.7951221     1.297072  
1 1 1 9  22 10 o 7.3167  0.9376 20.054    4.9127  25.393    7.0059   14.889    6.8906   8.1996  1.2013 6.2038  1.5259 1.995778       1.942078  
1 1 1 9  22 11 o 23.839  1.1278 210.205   19.707  195.855   25.660   230.842   30.771   22.872  1.5396 24.782  1.7044 -1.909887      2.296856  
1 1 1 9  22 12 o 23.086  0.5980 195.870   10.118  186.104   13.311   209.236   15.573   22.478  0.8079 23.821  0.8919 -1.342892      1.203455  
1 1 1 9  22 13 o 19.005  0.5211 132.687   7.2595  135.856   10.799   130.075   9.8059   19.204  0.7672 18.798  0.7117 0.4063263      1.046458  
1 1 1 9  22 14 o 9.2141  0.5839 31.341    3.9230  39.679    6.2012   25.778    5.0655   10.339  0.8252 8.3164  0.8426 2.022418       1.179404  
1 1 1 9  22 15 o 21.917  0.5569 176.627   8.9456  181.479   13.184   172.488   12.178   22.175  0.8111 21.627  0.7683 0.5485344      1.117203  
1 1 1 9  22 16 o 15.963  0.5141 93.672    6.0155  98.796    9.1458   89.764    7.9860   16.365  0.7625 15.607  0.6981 0.7576275      1.033819  
1 1 1 9  22 17 o 5.8335  0.8817 12.860    3.6524  10.580    5.7058   14.443    4.7539   5.2280  1.4422 6.1459  1.0955 -0.9178834     1.811056  
1 1 1 9  23 0  o 17.854  1.3390 119.486   17.297  119.486   17.297   0.0000    0.0000   17.854  1.3390 17.854  1.3390 0.000000       0.000000  
1 1 1 9  23 1  o 15.130  0.6616 84.145    7.3369  82.340    9.5463   86.749    11.468   14.925  0.8765 15.296  1.0289 -0.3714247     1.351622  
1 1 1 9  23 2  o 39.256  0.8111 567.317   23.337  592.095   34.387   546.160   31.776   40.005  1.1727 38.435  1.1279 1.569546       1.627122  
1 1 1 9  23 3  o 21.404  0.5291 168.218   8.3011  161.643   13.617   172.105   10.472   20.944  0.8871 21.638  0.6603 -0.6935234     1.105821  
1 1 1 9  23 4  o 38.958  0.8056 558.753   23.004  556.642   37.814   559.993   28.984   38.732  1.3320 38.949  1.0153 -0.2170410     1.674795  
1 1 1 9  23 5  o 10.217  0.5300 38.433    3.9552  34.570    6.8224   40.389    4.8542   9.6306  0.9802 10.464  0.6359 -0.8331118     1.168390  
1 1 1 9  23 6  o 22.384  0.5407 184.020   8.8719  180.487   14.731   186.031   11.113   22.126  0.9084 22.493  0.6741 -0.3673000     1.131153  
1 1 1 9  23 7  o 25.562  0.5859 240.080   10.978  237.563   18.365   241.480   13.694   25.367  0.9877 25.618  0.7293 -0.2510414     1.227806  
1 1 1 9  23 8  o 29.286  0.6457 315.359   13.859  329.461   20.519   303.528   18.795   29.879  0.9369 28.688  0.8938 1.191118       1.294902  
1 1 1 9  23 9  o 13.760  0.4877 69.529    4.9191  68.596    7.3272   70.294    6.6373   13.631  0.7361 13.825  0.6550 -0.1939697     0.9853533 
1 1 1 9  23 10 o 16.500  0.5872 100.086   7.1014  88.271    10.391   110.440   9.7277   15.434  0.9227 17.314  0.7665 -1.880046      1.199591  
1 1 1 9  23 11 o 14.429  0.6828 76.658    7.2218  79.676    7.9409   62.223    17.368   14.686  0.7401 12.669  1.9315 2.017473       2.068381  
1 1 1 9  23 12 o 13.022  0.6926 62.643    6.5868  52.641    8.8555   75.029    9.8546   11.874  1.0276 14.208  0.9518 -2.333446      1.400675  
1 1 1 9  23 13 o 7.7397  0.6723 22.233    3.7762  21.960    5.5003   22.476    5.1937   7.6322  1.0079 7.7375  0.9347 -0.1052976     1.374605  
1 1 1 9  23 14 o 21.227  0.5465 165.740   8.5034  175.715   12.804   157.868   11.374   21.810  0.8010 20.683  0.7503 1.127241       1.097471  
1 1 1 9  23 15 o 16.088  0.5137 95.171    6.0571  95.037    8.8202   95.291    8.3327   16.046  0.7500 16.074  0.7073 -0.2773476E-01 1.030868  
1 1 1 9  24 0  o 9.4984  1.0311 34.359    6.9642  39.115    10.241   30.267    9.4988   9.9674  1.5026 8.5903  1.6968 0.000000       0.000000  
1 1 1 9  24 1  o 8.9507  0.6450 29.617    4.2032  29.899    6.0925   29.362    5.8062   8.9496  0.9430 8.8745  0.9053 0.7513809E-01  1.307188  
1 1 1 9  24 2  o 24.174  0.6546 214.957   11.598  210.743   16.461   219.113   16.345   23.889  0.9401 24.363  0.9153 -0.4745884     1.312106  
1 1 1 9  24 3  o 10.920  0.5092 43.797    4.0752  46.084    7.2606   42.746    4.9240   11.139  0.8969 10.763  0.6269 0.3758726      1.094241  
1 1 1 9  24 4  f 14.234  0.4794 74.400    5.0014  77.965    8.7952   72.697    6.0802   14.518  0.8300 14.062  0.5899 0.4552765      1.018279  
1 1 1 9  24 5  o 4.3933  1.0137 7.4233    3.1979  -2.8173   5.7439   12.024    3.8498   2.8743  1.2946 5.6258  0.9686 -2.751487      1.616829  
1 1 1 9  24 6  o 9.0052  0.5652 29.927    3.7117  35.383    6.7197   27.532    4.4525   9.7381  0.9537 8.6175  0.7113 1.120510       1.189721  
1 1 1 9  24 7  o 24.985  0.5785 229.568   10.594  248.711   18.898   220.794   12.794   25.919  0.9948 24.481  0.7130 1.437817       1.223876  
1 1 1 9  24 8  o 13.381  0.4943 65.799    4.8478  70.449    8.9123   63.846    5.7772   13.777  0.8873 13.173  0.5983 0.6041355      1.070194  
1 1 1 9  24 9  o 19.066  0.5523 133.693   7.7182  136.040   12.550   132.265   9.7880   19.177  0.8929 18.942  0.7050 0.2349796      1.137625  
1 1 1 9  24 10 o 25.253  0.6418 234.907   11.879  231.724   18.659   237.077   15.404   24.985  1.0189 25.326  0.8298 -0.3413467     1.314089  
1 1 1 9  24 11 o 12.012  0.5618 53.096    4.9461  55.298    6.9162   50.790    7.0762   12.212  0.7767 11.691  0.8312 0.5204906      1.137639  
1 1 1 9  24 12 o 16.436  0.5985 99.494    7.2096  91.585    8.6143   117.990   13.173   15.748  0.7463 17.789  1.0145 -2.041475      1.259440  
1 1 1 9  24 13 o 10.434  0.7188 40.369    5.4637  32.611    8.3287   46.230    7.2392   9.2516  1.2611 11.135  0.8946 -1.883068      1.546139  
1 1 1 9  25 0  o 8.8412  0.7777 29.407    4.9501  26.157    9.0867   30.779    5.9029   7.8349  1.8192 9.0058  0.9160 0.000000       0.000000  
1 1 1 9  25 1  o 16.397  0.5937 98.958    7.1357  85.330    14.772   103.106   8.1497   15.036  1.3549 16.729  0.6647 -1.692734      1.509156  
1 1 1 9  25 2  o 25.667  0.6343 242.631   11.934  234.673   18.005   248.866   15.937   25.158  0.9764 25.948  0.8380 -0.7891312     1.286676  
1 1 1 9  25 3  o 16.799  0.4999 103.750   6.1560  100.148   10.339   105.728   7.6624   16.433  0.8613 16.945  0.6169 -0.5117474     1.059477  
1 1 1 9  25 4  o 18.248  0.4998 122.422   6.6845  120.378   11.215   123.549   8.3248   18.041  0.8481 18.316  0.6201 -0.2747478     1.050610  
1 1 1 9  25 5  o 4.9877  0.9428 9.5186    3.3204  10.836    5.8501   8.8926    4.0329   5.2821  1.4616 4.7898  1.1609 0.4922681      1.866499  
1 1 1 9  25 6  o 13.254  0.4969 64.600    4.8275  59.560    8.1143   67.361    6.0061   12.652  0.8805 13.524  0.6059 -0.8716736     1.068829  
1 1 1 9  25 7  o 4.8401  0.9855 9.0093    3.3773  3.0027    6.1256   11.633    4.0482   3.7551  1.4909 5.5050  1.0414 -1.749924      1.818647  
1 1 1 9  25 8  o 5.3238  0.8971 10.787    3.3761  14.138    6.2459   9.4034    4.0128   6.0053  1.4380 4.9239  1.1351 1.081417       1.832040  
1 1 1 9  25 9  o 13.676  0.5048 68.808    5.0598  75.829    9.2511   65.812    6.0439   14.273  0.8887 13.362  0.6171 0.9105310      1.081963  
1 1 1 9  25 10 o 5.6533  0.9886 12.219    3.9474  0.0000    0.0000   12.219    3.9474   ?       ?      5.6533  0.9886 0.000000       0.9886311 
1 1 1 9  25 11 o 14.085  0.5064 72.987    5.2276  68.449    7.6967   76.873    7.1224   13.583  0.7763 14.434  0.6732 -0.8505888     1.027572  
1 1 1 9  26 0  o 27.095  0.8662 271.495   17.162  245.442   30.872   283.147   20.646   25.438  1.6723 27.624  1.0229 0.000000       0.000000  
1 1 1 9  26 1  o 27.047  0.6586 269.977   13.057  270.177   25.237   269.903   15.258   26.798  1.2849 27.009  0.7707 -0.2113571     1.498308  
1 1 1 9  26 2  o 14.289  0.5959 75.260    6.2415  74.045    11.945   75.717    7.3204   14.012  1.1738 14.317  0.6976 -0.3048496     1.365445  
1 1 1 9  26 3  o 22.578  0.5496 187.749   9.0948  184.357   14.975   189.731   11.448   22.276  0.9172 22.665  0.6891 -0.3895969     1.147217  
1 1 1 9  26 4  o 23.446  0.5627 202.529   9.6697  211.761   16.696   197.870   11.861   23.858  0.9548 23.142  0.6993 0.7153931      1.183486  
1 1 1 9  26 5  o 13.220  0.5080 64.327    4.9227  73.219    9.0266   60.563    5.8728   14.016  0.8831 12.813  0.6253 1.203233       1.082123  
1 1 1 9  26 6  o 19.595  0.5207 141.354   7.4789  146.311   13.138   138.977   9.0968   19.845  0.9032 19.407  0.6395 0.4381676      1.106687  
1 1 1 9  26 7  o 12.269  0.5187 55.414    4.6642  48.606    8.0259   58.886    5.7314   11.388  0.9708 12.636  0.6188 -1.247620      1.151251  
1 1 1 10 0  0  o 35.138  1.4502 454.833   37.204  445.230   51.545   465.277   53.754   34.672  2.0446 35.444  2.0856 0.000000       0.000000  
1 1 1 10 0  1  o 50.462  1.4301 935.661   52.800  1051.38   82.879   856.612   68.501   53.422  2.1242 48.219  1.9454 0.000000       0.000000  
1 1 1 10 0  2  o 102.978 2.8687 3898.94   216.148 3741.33   291.850  4090.42   321.680  100.717 3.9674 105.296 4.1830 0.000000       0.000000  
1 1 1 10 0  3  o 58.557  1.6610 1260.07   71.162  1285.05   103.120  1237.37   98.327   59.051  2.3914 57.949  2.3235 0.000000       0.000000  
1 1 1 10 0  4  o 206.962 5.7337 15797.97  868.259 15309.14  1190.17  16354.12  1269.47  203.103 8.0233 209.867 8.2821 0.000000       0.000000  
1 1 1 10 0  5  o 37.466  1.2707 516.306   34.804  635.856   71.997   479.852   39.758   41.433  2.3890 36.085  1.5092 0.000000       0.000000  
1 1 1 10 0  6  o 248.961 6.9030 22925.02  1257.47 21691.49  2380.74  23402.29  1480.89  238.926 13.698 251.128 8.0642 0.000000       0.000000  
1 1 1 10 0  7  o 41.313  1.6839 628.873   50.797  0.0000    0.0000   628.873   50.797   41.313  1.6839 41.313  1.6839 0.000000       0.000000  
1 1 1 10 0  8  o 54.411  1.5450 1088.03   61.506  938.884   106.095  1163.53   75.484   50.332  2.8979 56.241  1.8356 0.000000       0.000000  
1 1 1 10 0  9  o 163.570 4.5384 9864.23   543.168 11278.82  1234.54  9524.66   604.858  173.138 9.8000 160.584 5.1509 0.000000       0.000000  
1 1 1 10 0  10 o 61.955  1.7397 1410.85   78.858  1365.92   152.302  1427.31   92.176   60.691  3.4492 62.285  2.0239 0.000000       0.000000  
1 1 1 10 0  11 o 8.0814  0.9421 24.899    5.3822  20.529    8.9035   27.416    6.7565   6.6943  2.0726 8.4188  1.1571 0.000000       0.000000  
1 1 1 10 0  12 o 16.634  0.7010 101.950   8.5116  102.347   15.375   101.774   10.221   16.561  1.2844 16.599  0.8451 0.000000       0.000000  
1 1 1 10 0  13 o 85.286  2.3756 2674.96   148.238 2540.54   281.334  2726.62   174.414  82.682  4.6765 86.054  2.7717 0.000000       0.000000  
1 1 1 10 0  14 o 169.378 6.6951 10665.99  828.236 10933.43  1199.10  10421.98  1145.35  170.191 9.6842 166.233 9.4706 0.000000       0.000000  
1 1 1 10 0  15 o 66.865  2.6786 1649.24   130.798 0.0000    0.0000   1649.24   130.798  66.865  2.6786 66.865  2.6786 0.000000       0.000000  
1 1 1 10 0  16 o 122.238 3.3929 5505.09   303.457 5480.48   426.896  5530.23   431.447  121.640 4.8051 122.186 4.8347 0.000000       0.000000  
1 1 1 10 0  17 o 51.001  1.4787 956.305   55.173  919.340   74.194   1002.03   82.523   49.930  2.0350 52.117  2.1688 0.000000       0.000000  
1 1 1 10 0  18 o 131.346 3.6583 6368.81   351.573 6292.71   490.933  6448.91   503.714  130.085 5.1674 131.671 5.2381 0.000000       0.000000  
1 1 1 10 0  19 f 82.051  2.3067 2479.04   138.479 2328.43   183.277  2679.41   211.398  79.343  3.1629 85.082  3.4022 0.000000       0.000000  
1 1 1 10 0  20 o 20.199  0.8052 150.294   11.878  152.181   16.208   148.106   17.456   20.282  1.0976 19.987  1.2015 0.000000       0.000000  
1 1 1 10 0  21 o 46.036  1.3508 779.750   45.490  720.781   59.240   864.482   71.012   44.179  1.8367 48.371  2.0109 0.000000       0.000000  
1 1 1 10 0  22 o 3.4363  1.9187 5.8627    7.2130  -0.8984   8.1358   30.695    15.592   2.6417  1.7231 7.8915  2.9107 0.000000       0.000000  
1 1 1 10 0  23 o 3.2266  1.7431 5.4163    5.7469  8.9276    7.0931   -1.2928   9.8045   4.0612  1.9976 2.8791  1.8827 0.000000       0.000000  
1 1 1 10 0  24 o 11.850  0.9018 52.402    7.7287  46.330    9.9236   61.763    12.322   11.018  1.2730 12.758  1.3524 0.000000       0.000000  
1 1 1 10 0  25 o 16.665  0.8147 102.599   9.8971  107.441   13.449   96.879    14.618   17.005  1.0892 16.097  1.2566 0.000000       0.000000  
1 1 1 10 0  26 o 6.9172  1.4362 19.682    6.4232  25.981    8.2357   9.9004    10.263   7.9789  1.5855 4.3395  2.3342 0.000000       0.000000  
1 1 1 10 0  27 o 2.9409  1.7272 3.6773    6.2896  8.7466    8.0178   -4.4336   10.142   4.0324  2.0932 2.6739  1.8009 0.000000       0.000000  
1 1 1 10 0  28 o 52.368  2.1759 1020.59   83.191  993.313   113.160  1052.67   122.722  51.289  3.0344 52.728  3.2025 0.000000       0.000000  
1 1 1 10 0  29 o 37.443  1.1761 517.114   32.206  496.717   43.023   543.116   48.574   36.591  1.6113 38.234  1.7415 0.000000       0.000000  
1 1 1 10 1  0  o 34.812  1.0164 445.319   25.884  442.727   36.339   447.989   36.879   34.664  1.4358 34.869  1.4487 0.000000       0.000000  
1 1 1 10 1  1  o 74.145  1.4641 2015.66   79.566  1920.91   107.244  2131.66   118.667  72.366  2.0219 76.228  2.1239 -3.862732      2.932410  
1 1 1 10 1  2  o 55.555  1.1842 1131.47   48.220  1201.63   67.094   1056.52   69.347   57.244  1.5991 53.673  1.7627 3.571125       2.379982  
1 1 1 10 1  3  o 133.120 2.6102 6504.93   254.679 6848.04   377.562  6218.48   344.979  136.465 3.7747 130.059 3.6189 6.406204       5.229235  
1 1 1 10 1  4  o 145.969 2.8503 7824.70   304.954 7878.59   434.462  7772.37   428.148  146.318 4.0511 145.333 4.0193 0.9850311      5.706676  
1 1 1 10 1  5  o 84.454  1.6715 2615.92   103.466 2869.21   158.781  2429.00   136.401  88.410  2.4503 81.354  2.2875 7.055885       3.352085  
1 1 1 10 1  6  o 134.491 3.0474 6647.04   300.401 6509.97   360.465  6958.64   543.500  133.012 3.6974 137.206 5.4044 -4.194031      6.548138  
1 1 1 10 1  7  o 66.470  1.3157 1620.08   64.099  1759.09   98.016   1516.20   84.728   69.241  1.9313 64.288  1.7981 4.952950       2.638762  
1 1 1 10 1  8  o 109.073 2.1512 4366.73   171.979 4515.44   252.753  4238.52   234.682  110.820 3.1117 107.383 2.9817 3.437645       4.309657  
1 1 1 10 1  9  o 69.693  1.3796 1781.26   70.473  1844.02   103.156  1726.34   96.503   70.884  1.9855 68.588  1.9196 2.295883       2.761713  
1 1 1 10 1  10 o 145.571 2.8516 7790.02   304.261 7955.22   438.073  7636.06   422.908  146.873 4.0693 143.910 4.0093 2.963364       5.712641  
1 1 1 10 1  11 o 30.887  0.6698 349.680   15.163  357.608   21.890   342.366   21.024   31.232  0.9562 30.559  0.9386 0.6726208      1.339923  
1 1 1 10 1  12 o 67.160  1.3332 1654.16   65.628  1577.44   88.762   1746.68   97.473   65.562  1.8471 68.985  1.9277 -3.423210      2.669845  
1 1 1 10 1  13 o 184.508 3.6230 12544.46  489.958 12978.10  714.934  12160.43  672.795  187.126 5.2126 181.191 5.0660 5.934387       7.268779  
1 1 1 10 1  14 o 131.211 3.6512 6346.63   351.146 6451.61   504.730  6248.15   488.843  131.889 5.2212 129.817 5.1376 2.071777       7.324981  
1 1 1 10 1  15 o 53.708  1.2496 1057.92   49.192  1079.43   71.157   1038.22   68.082   54.229  1.7902 53.186  1.7464 1.043209       2.500984  
1 1 1 10 1  16 o 48.563  1.1435 864.905   40.704  785.791   64.108   918.339   52.686   46.262  1.8907 50.031  1.4367 -3.769600      2.374614  
1 1 1 10 1  17 o 125.333 2.4599 5778.49   225.976 5482.27   303.069  6149.36   339.117  121.873 3.3928 129.021 3.5860 -7.148323      4.936607  
1 1 1 10 1  18 o 102.702 2.0194 3877.46   152.012 3960.77   219.546  3800.74   210.681  103.633 2.8903 101.531 2.8311 2.102249       4.045843  
1 1 1 10 1  19 o 45.151  0.9396 747.723   31.094  771.947   45.366   726.261   42.702   45.857  1.3497 44.482  1.3097 1.375542       1.880727  
1 1 1 10 1  20 o 40.228  0.8434 593.582   24.868  589.104   34.984   598.156   35.357   40.060  1.1915 40.366  1.1950 -0.3064079     1.687506  
1 1 1 10 1  21 o 43.445  0.9027 692.570   28.747  675.078   39.738   711.773   41.636   42.867  1.2647 44.015  1.2906 -1.147446      1.806979  
1 1 1 10 1  22 o 20.501  0.9486 154.299   14.254  158.642   17.198   144.769   25.475   20.750  1.1351 19.737  1.7801 1.012489       2.111225  
1 1 1 10 1  23 o 26.963  0.6433 266.682   12.714  272.843   18.194   260.803   17.773   27.260  0.9106 26.652  0.9098 0.6081867      1.287232  
1 1 1 10 1  24 f 32.555  0.7297 388.922   17.412  368.737   23.633   412.888   25.751   31.680  1.0178 33.520  1.0481 -1.840391      1.460951  
1 1 1 10 1  25 o 74.640  1.4965 2053.98   81.870  2075.73   117.348  2033.36   114.275  74.802  2.1403 74.049  2.1055 0.7529297      3.002363  
1 1 1 10 1  26 o 31.894  0.7217 373.362   16.870  362.512   23.353   385.205   24.398   31.403  1.0146 32.370  1.0283 -0.9666367     1.444587  
1 1 1 10 1  27 o 12.919  0.6145 61.243    5.8182  63.263    8.2547   59.249    8.2020   13.093  0.8650 12.666  0.8891 0.4265556      1.240469  
1 1 1 10 1  28 o 37.970  1.1745 531.578   32.686  492.915   42.409   588.149   51.298   36.472  1.5864 39.790  1.7589 -3.317730      2.368656  
1 1 1 10 1  29 o 19.605  0.6117 141.121   8.7892  139.242   12.305   143.077   12.558   19.455  0.8629 19.721  0.8688 -0.2655869     1.224515  
1 1 1 10 2  0  o 15.682  0.6258 90.564    7.1677  93.177    10.087   87.900    10.187   15.873  0.8731 15.406  0.9093 0.000000       0.000000  
1 1 1 10 2  1  o 183.809 3.5787 12418.40  482.138 12210.90  670.193  12640.99  694.128  182.006 5.0238 185.164 5.1145 -3.157959      7.169143  
1 1 1 10 2  2  o 107.421 2.1000 4233.35   165.341 4256.12   234.772  4210.94   232.893  107.653 2.9754 107.080 2.9673 0.5722733      4.202126  
1 1 1 10 2  3  o 220.047 4.3359 17828.00  699.318 17148.89  954.462  18615.09  1027.55  215.343 6.0471 224.291 6.2504 -8.947983      8.696862  
1 1 1 10 2  4  o 201.713 3.9771 14973.42  588.001 13925.03  776.602  16381.84  900.122  194.169 5.4568 210.485 5.8344 -16.31628      7.988579  
1 1 1 10 2  5  o 109.417 2.1533 4393.27   172.694 4539.40   253.397  4266.54   235.984  111.143 3.1106 107.762 2.9877 3.380829       4.312990  
1 1 1 10 2  6  o 61.047  1.2165 1366.37   54.434  1342.61   67.835   1409.32   91.219   60.506  1.5296 61.975  2.0081 -1.468990      2.524319  
1 1 1 10 2  7  o 106.301 2.0903 4147.03   162.865 4290.79   237.387  4019.19   223.861  108.049 2.9975 104.581 2.9204 3.467911       4.184953  
1 1 1 10 2  8  f 115.919 2.2696 4933.17   192.836 4830.42   267.702  5044.00   278.012  114.606 3.1869 117.106 3.2389 -2.499542      4.543882  
1 1 1 10 2  9  o 82.030  1.6093 2468.36   96.760  2454.92   135.961  2482.15   137.734  81.767  2.2686 82.218  2.2856 -0.4511185     3.220286  
1 1 1 10 2  10 o 112.562 2.2029 4652.08   181.744 4885.83   269.424  4456.91   246.195  115.238 3.1898 110.082 3.0513 5.156281       4.414178  
1 1 1 10 2  11 o 94.113  1.8426 3250.37   127.104 3189.03   176.413  3316.58   183.289  93.160  2.5836 95.000  2.6323 -1.839920      3.688330  
1 1 1 10 2  12 o 105.598 2.0882 4093.86   161.622 4727.53   261.456  3701.96   205.613  113.348 3.1470 100.346 2.7956 13.00264       4.209411  
1 1 1 10 2  13 o 91.036  1.8006 3041.39   120.150 3099.68   172.580  2986.57   167.374  91.840  2.5638 90.152  2.5330 1.688210       3.603998  
1 1 1 10 2  14 o 134.228 4.3081 6658.01   423.843 6299.17   693.458  6872.01   535.510  129.351 7.3445 136.057 5.3699 -6.705048      9.098230  
1 1 1 10 2  15 o 123.658 2.8183 5625.98   255.445 5545.00   357.968  5710.01   364.630  122.526 3.9860 124.332 4.0012 -1.806000      5.647795  
1 1 1 10 2  16 o 119.292 2.3382 5230.63   204.441 5186.99   331.699  5257.37   259.615  118.504 3.8189 119.490 2.9643 -0.9867325     4.834301  
1 1 1 10 2  17 o 69.245  1.3852 1759.35   70.304  1871.33   104.806  1667.75   94.795   71.367  2.0036 67.380  1.9194 3.986771       2.774648  
1 1 1 10 2  18 o 116.947 2.3109 5032.89   198.089 5518.84   304.536  4676.49   260.801  122.172 3.4009 112.530 3.1620 9.642082       4.643708  
1 1 1 10 2  19 o 32.962  0.7223 398.366   17.450  405.672   25.001   391.425   24.368   33.254  1.0257 32.665  1.0178 0.5888939      1.444966  
1 1 1 10 2  20 o 24.152  0.5999 213.866   10.620  206.373   14.643   222.182   15.427   23.720  0.8422 24.611  0.8552 -0.8914413     1.200273  
1 1 1 10 2  21 o 30.618  0.6863 343.823   15.402  349.545   21.987   338.311   21.581   30.861  0.9720 30.361  0.9698 0.4998837      1.373092  
1 1 1 10 2  22 o 16.283  0.7752 97.283    9.2525  91.900    11.874   105.603   14.762   15.786  1.0319 16.910  1.1988 -1.123812      1.581809  
1 1 1 10 2  23 o 19.875  0.6601 144.907   9.6163  141.932   14.009   147.557   13.224   19.658  0.9723 20.047  0.8999 -0.3888626     1.324853  
1 1 1 10 2  24 o 43.310  0.9115 688.835   28.935  656.540   39.111   727.883   43.006   42.243  1.2632 44.471  1.3194 -2.228031      1.826607  
1 1 1 10 2  25 o 8.2501  0.8137 25.231    4.8562  21.287    6.7407   29.487    7.0021   7.5024  1.2712 8.8886  1.0981 -1.386114      1.679818  
1 1 1 10 2  26 o 26.511  0.6556 257.914   12.740  268.000   18.261   248.348   17.783   27.008  0.9225 25.998  0.9332 1.009844       1.312190  
1 1 1 10 2  27 o 11.556  0.8458 49.326    7.1140  41.984    12.222   53.088    8.7488   10.532  1.6363 11.972  1.0063 -1.440023      1.921010  
1 1 1 10 2  28 o 5.4726  1.6620 11.171    7.2533  5.6367    7.9882   37.166    17.312   4.5838  1.7342 9.7545  2.4303 -5.170748      2.985633  
1 1 1 10 2  29 o 20.224  0.6051 150.175   8.9693  157.100   12.924   143.739   12.458   20.666  0.8532 19.767  0.8599 0.8989105      1.211330  
1 1 1 10 3  0  o 11.710  0.6319 50.692    5.3877  48.087    7.4304   53.580    7.8235   11.347  0.9067 11.990  0.9020 0.000000       0.000000  
1 1 1 10 3  1  o 93.427  1.8372 3201.53   125.809 3098.51   172.396  3318.89   184.014  91.875  2.5600 95.082  2.6404 -3.206306      3.677717  
1 1 1 10 3  2  o 78.317  1.6464 2249.40   94.510  2277.76   126.512  2213.57   142.170  78.789  2.1907 77.657  2.4977 1.132233       3.322340  
1 1 1 10 3  3  o 56.082  1.1135 1153.03   45.772  1267.29   70.563   1070.02   60.141   58.784  1.6377 54.018  1.5190 4.765793       2.233698  
1 1 1 10 3  4  o 26.972  0.5880 266.644   11.624  248.444   15.454   290.356   17.640   26.035  0.8099 28.145  0.8551 -2.110115      1.177780  
1 1 1 10 3  5  f 76.465  1.5064 2144.24   84.428  2198.54   122.233  2094.70   116.752  77.400  2.1546 75.552  2.1083 1.847649       3.014523  
1 1 1 10 3  6  o 177.887 3.4869 11641.01  454.633 11631.33  574.557  11657.23  743.521  177.611 4.4135 177.445 5.7168 0.1662750      7.222200  
1 1 1 10 3  7  o 96.642  1.8981 3426.94   134.449 3216.64   178.668  3701.51   204.150  93.580  2.6048 100.371 2.7750 -6.790421      3.806017  
1 1 1 10 3  8  o 129.169 2.5329 6128.65   239.799 5988.79   331.494  6282.19   347.314  127.546 3.5459 130.619 3.6277 -3.073288      5.072870  
1 1 1 10 3  9  o 47.141  0.9596 814.715   33.157  779.524   45.294   855.347   48.670   46.104  1.3403 48.294  1.3750 -2.189373      1.920156  
1 1 1 10 3  10 o 141.301 2.7610 7339.07   285.954 7214.71   397.561  7472.37   411.603  139.895 3.8772 142.356 3.9448 -2.461349      5.531187  
1 1 1 10 3  11 o 235.118 4.6500 20436.60  801.348 20995.20  1172.00  19946.18  1098.16  237.179 6.7417 231.339 6.4764 5.839935       9.348516  
1 1 1 10 3  12 o 93.716  1.8407 3223.22   126.435 3057.10   169.934  3429.20   189.230  91.211  2.5419 96.589  2.6729 -5.377808      3.688566  
1 1 1 10 3  13 o 98.900  1.9467 3590.50   141.117 3956.27   218.485  3328.69   184.845  103.716 2.8740 95.160  2.6501 8.555923       3.909399  
1 1 1 10 3  14 o 17.860  0.6075 116.914   7.9524  133.007   11.536   102.339   10.978   19.048  0.8263 16.683  0.9011 2.364447       1.222577  
1 1 1 10 3  15 o 62.724  1.7718 1444.12   81.456  1515.87   121.173  1384.96   110.024  64.207  2.5748 61.382  2.4455 2.825066       3.551073  
1 1 1 10 3  16 o 39.388  0.8261 568.787   23.851  554.741   38.403   577.607   30.431   38.886  1.3474 39.688  1.0461 -0.8013725     1.705805  
1 1 1 10 3  17 o 61.553  1.3171 1390.10   59.424  1364.10   89.266   1410.80   79.632   60.928  1.9989 61.981  1.7528 -1.053196      2.658567  
1 1 1 10 3  18 o 131.132 2.5731 6335.58   247.309 6263.45   345.433  6411.43   354.228  130.043 3.6241 131.551 3.6737 -1.508194      5.160437  
1 1 1 10 3  19 o 30.900  0.6909 350.074   15.648  342.148   21.660   358.728   22.631   30.541  0.9676 31.272  0.9874 -0.7306271     1.382444  
1 1 1 10 3  20 o 96.214  1.9038 3408.17   134.256 3698.48   204.673  3188.91   177.870  99.964  2.7934 92.879  2.6128 7.084290       3.824897  
1 1 1 10 3  21 o 26.293  0.6332 253.519   12.204  240.824   16.557   268.619   18.058   25.618  0.8817 27.055  0.9106 -1.436859      1.267556  
1 1 1 10 3  22 o 41.093  1.0931 620.300   32.923  631.165   42.985   604.883   51.205   41.419  1.4159 40.509  1.7246 0.9096413      2.231359  
1 1 1 10 3  23 o 39.799  1.0758 582.069   31.382  588.604   50.549   577.970   40.031   39.936  1.7269 39.624  1.3783 0.3122864      2.209525  
1 1 1 10 3  24 o 32.010  0.7688 376.062   18.039  374.869   23.795   377.676   27.660   31.941  1.0164 32.046  1.1776 -0.1050835     1.555555  
1 1 1 10 3  25 o 26.698  0.6488 261.533   12.696  249.563   17.280   275.572   18.715   26.066  0.9045 27.388  0.9323 -1.322662      1.298908  
1 1 1 10 3  26 o 34.804  0.7745 444.755   19.758  428.518   26.824   464.013   29.213   34.134  1.0721 35.513  1.1223 -1.379513      1.552116  
1 1 1 10 3  27 o 56.471  1.1522 1174.51   47.689  1229.44   70.221   1127.49   64.968   57.622  1.6626 55.200  1.6058 2.421848       2.311458  
1 1 1 10 3  28 o 25.453  0.7434 238.034   13.869  251.842   19.851   224.866   19.385   26.150  1.0357 24.705  1.0705 1.444345       1.489540  
1 1 1 10 3  29 o 20.081  0.6930 148.151   10.200  147.594   15.100   148.620   13.832   19.987  1.0343 20.092  0.9393 -0.1053944     1.397138  
1 1 1 10 4  0  o 102.827 2.8570 3888.14   214.951 3776.29   296.104  4012.75   312.534  101.164 4.0076 104.282 4.1034 0.000000       0.000000  
1 1 1 10 4  1  o 16.099  0.4718 94.991    5.5668  105.422   8.9853   88.492    7.0919   16.959  0.7228 15.538  0.6227 1.421018       0.9540706 
1 1 1 10 4  2  o 65.160  1.2936 1556.73   61.780  1466.17   81.942   1676.01   94.042   63.224  1.7683 67.592  1.8982 -4.368549      2.594218  
1 1 1 10 4  3  o 2.5643  1.0059 1.3772    2.7566  10.009    3.6939   -9.4719   4.1412   5.1353  1.0173 1.7639  0.8720 3.371435       1.339934  
1 1 1 10 4  4  o 139.180 2.7472 7115.34   280.250 7348.75   410.439  6911.46   383.590  141.271 3.9638 137.026 3.8193 4.244476       5.504450  
1 1 1 10 4  5  o 103.071 2.0233 3898.38   152.855 4055.59   200.544  3680.44   236.130  105.085 2.6037 100.050 3.2200 5.034447       4.140933  
1 1 1 10 4  6  o 23.818  0.5438 207.931   9.4942  211.305   12.266   202.889   14.994   24.010  0.6970 23.526  0.8696 0.4840031      1.114430  
1 1 1 10 4  7  o 148.849 2.9219 8144.27   318.780 8434.08   465.550  7888.43   437.412  151.232 4.1999 146.284 4.0796 4.948212       5.855103  
1 1 1 10 4  8  o 100.946 1.9862 3740.05   146.961 4084.62   225.460  3485.49   193.787  105.403 2.9183 97.387  2.7148 8.015602       3.985834  
1 1 1 10 4  9  o 175.852 3.4469 11385.42  444.275 12164.06  667.784  10767.09  595.082  181.296 5.0254 170.655 4.7575 10.64153       6.920107  
1 1 1 10 4  10 o 55.862  1.2003 1144.28   49.148  1272.69   82.251   1072.97   61.293   58.887  1.9056 54.083  1.5462 4.804100       2.454027  
1 1 1 10 4  11 o 112.006 2.1927 4606.78   180.015 4471.27   246.975  4760.36   262.932  110.243 3.0565 113.737 3.1540 -3.493919      4.392002  
1 1 1 10 4  12 o 81.511  1.6143 2437.60   96.445  2384.34   133.753  2495.29   139.197  80.572  2.2648 82.422  2.3041 -1.850243      3.230867  
1 1 1 10 4  13 o 144.240 3.2792 7661.33   346.686 7691.25   598.874  7646.24   425.172  143.836 5.6805 143.923 4.0305 -0.8662415E-01 6.965094  
1 1 1 10 4  14 o 65.749  1.5117 1586.01   72.851  1559.45   100.934  1614.90   105.256  65.161  2.1133 66.306  2.1658 -1.144684      3.025994  
1 1 1 10 4  15 o 93.125  2.3325 3187.29   159.207 3161.26   248.555  3205.40   207.319  92.551  3.6641 93.298  3.0317 -0.7469406     4.755689  
1 1 1 10 4  16 o 92.249  1.8191 3124.82   122.995 3169.95   204.395  3099.20   153.998  92.755  3.0064 91.817  2.2883 0.9377899      3.778216  
1 1 1 10 4  17 o 46.859  0.9669 805.239   33.210  975.110   64.287   743.406   38.786   51.529  1.7021 45.017  1.1755 6.512348       2.068588  
1 1 1 10 4  18 o 141.441 2.9817 7387.31   309.118 7358.35   408.215  7426.25   473.284  140.761 3.9566 141.095 4.5765 -0.3339233     6.049716  
1 1 1 10 4  19 o 47.898  1.2451 842.162   43.710  800.227   66.277   874.443   58.149   46.635  1.9389 48.779  1.6264 -2.143364      2.530761  
1 1 1 10 4  20 o 24.015  0.5977 211.461   10.520  211.293   14.843   211.630   14.913   24.000  0.8438 24.019  0.8471 -0.1906013E-01 1.195622  
1 1 1 10 4  21 o 95.759  1.8985 3381.82   133.249 3306.29   184.254  3464.64   192.931  94.397  2.6630 96.603  2.7248 -2.206261      3.810008  
1 1 1 10 4  22 o 43.652  0.9715 699.696   31.084  670.598   45.459   725.247   42.599   42.684  1.4530 44.407  1.3088 -1.723278      1.955554  
1 1 1 10 4  23 o 6.2426  1.3952 14.914    6.2236  5.3799    9.6878   21.614    8.1209   4.8596  1.8913 7.5245  1.5247 -2.664915      2.429374  
1 1 1 10 4  24 o 50.695  1.0426 944.533   38.739  882.433   51.342   1026.62   59.030   48.939  1.4313 52.767  1.5263 -3.827866      2.092410  
1 1 1 10 4  25 o 27.328  0.6546 274.029   13.111  267.444   18.206   281.124   18.897   26.981  0.9206 27.662  0.9320 -0.6805878     1.310011  
1 1 1 10 4  26 o 52.868  1.0830 1028.20   41.965  1003.10   57.921   1055.93   60.883   52.124  1.5161 53.469  1.5535 -1.345119      2.170692  
1 1 1 10 4  27 o 32.636  0.7377 391.187   17.647  388.335   24.852   394.088   25.064   32.482  1.0439 32.721  1.0450 -0.2395477     1.477076  
1 1 1 10 4  28 o 24.325  0.6280 217.251   11.197  221.905   16.094   212.885   15.588   24.560  0.8941 24.057  0.8841 0.5033302      1.257331  
1 1 1 10 4  29 o 34.515  0.9017 438.446   22.812  403.075   30.662   482.298   34.140   33.025  1.2667 36.120  1.2896 -3.094570      1.807611  
1 1 1 10 5  0  o 8.3148  0.7398 25.936    4.4267  26.100    6.1518   25.759    6.3746   8.2374  1.0685 8.1585  1.1274 0.000000       0.000000  
1 1 1 10 5  1  o 143.949 2.8430 7612.38   299.958 7100.36   391.849  8337.06   466.174  138.883 3.8494 150.423 4.2282 -11.54070      5.717965  
1 1 1 10 5  2  o 246.707 4.8513 22466.71  877.236 22450.18  1240.70  22483.23  1240.50  245.723 6.8887 245.907 6.8825 -0.1840210     9.737736  
1 1 1 10 5  3  o 73.631  1.4634 1988.21   78.976  2215.35   122.623  1827.20   103.239  77.693  2.1533 70.566  1.9960 7.126617       2.936137  
1 1 1 10 5  4  o 179.896 3.5272 11908.07  465.082 11497.77  635.807  12380.27  682.079  176.437 4.9165 183.033 5.0842 -6.596634      7.072554  
1 1 1 10 5  5  o 80.617  1.6990 2384.09   100.390 2304.35   128.472  2509.15   160.879  79.230  2.2123 82.646  2.6558 -3.415672      3.456515  
1 1 1 10 5  6  f 61.079  1.2090 1367.90   54.127  1414.97   70.749   1301.48   84.050   62.110  1.5541 59.553  1.9255 2.556469       2.474461  
1 1 1 10 5  7  o 59.876  1.1834 1314.57   51.934  1325.28   74.077   1304.23   72.832   60.103  1.6815 59.624  1.6665 0.4787560      2.367465  
1 1 1 10 5  8  o 48.159  0.9728 850.299   34.340  831.784   47.414   870.726   49.802   47.624  1.3583 48.725  1.3945 -1.101109      1.946709  
1 1 1 10 5  9  o 65.537  1.3000 1575.16   62.446  1553.12   86.937   1598.66   89.755   65.056  1.8232 66.001  1.8554 -0.9451828     2.601262  
1 1 1 10 5  10 o 172.852 3.3881 11001.96  429.247 10871.34  601.428  11137.58  612.828  171.416 4.7869 173.492 4.8193 -2.075134      6.792581  
1 1 1 10 5  11 o 47.727  0.9651 835.117   33.761  819.810   47.139   851.238   48.377   47.278  1.3603 48.175  1.3700 -0.8974113     1.930657  
1 1 1 10 5  12 o 93.157  1.8292 3185.10   124.903 3333.18   184.726  3060.38   169.529  95.222  2.6467 91.254  2.5346 3.968384       3.664615  
1 1 1 10 5  13 o 57.768  1.6289 1224.52   68.970  1241.04   98.892   1208.87   96.238   58.119  2.3215 57.363  2.2889 0.7562408      3.260121  
1 1 1 10 5  14 o 58.278  1.9373 1247.06   82.750  1183.33   96.631   1422.30   160.245  56.745  2.3233 62.000  3.5410 -5.254349      4.235111  
1 1 1 10 5  15 o 45.152  1.0693 747.601   35.387  762.895   51.043   733.448   49.101   45.596  1.5273 44.709  1.4984 0.8875809      2.139594  
1 1 1 10 5  16 o 93.909  1.9889 3240.14   136.901 3316.66   215.295  3188.20   177.382  94.840  3.0972 93.069  2.6003 1.770660       4.043991  
1 1 1 10 5  17 o 41.375  0.8618 627.731   26.135  710.722   47.555   591.818   31.283   44.000  1.4745 40.168  1.0626 3.832653       1.817501  
1 1 1 10 5  18 o 50.044  1.0981 918.832   40.278  953.969   63.878   895.642   51.894   50.952  1.7105 49.389  1.4335 1.562469       2.231731  
1 1 1 10 5  19 o 60.626  1.2165 1349.32   54.058  1283.96   72.731   1430.00   80.805   59.093  1.6792 62.352  1.7681 -3.259056      2.438437  
1 1 1 10 5  20 o 38.205  0.8118 535.439   22.733  516.662   31.080   557.045   33.339   37.511  1.1304 38.947  1.1679 -1.435902      1.625343  
1 1 1 10 5  21 o 59.445  1.3799 1299.72   60.126  1332.51   86.877   1269.57   83.297   60.078  1.9729 58.650  1.9377 1.428444       2.765314  
1 1 1 10 5  22 o 37.619  0.8055 519.387   22.211  504.767   30.525   535.837   32.380   37.061  1.1237 38.181  1.1570 -1.120388      1.612907  
1 1 1 10 5  23 o 44.927  1.2004 742.387   39.528  672.166   57.260   806.316   54.634   42.648  1.8317 46.758  1.5942 -4.109463      2.428296  
1 1 1 10 5  24 o 25.885  0.6311 245.829   11.974  250.957   17.149   240.949   16.728   26.140  0.8950 25.614  0.8910 0.5262280      1.262942  
1 1 1 10 5  25 o 50.388  1.0366 933.429   38.282  913.210   52.924   955.619   55.443   49.764  1.4510 50.898  1.4862 -1.134686      2.077002  
1 1 1 10 5  26 o 25.517  0.6426 238.958   12.019  246.987   17.209   231.311   16.794   25.924  0.9057 25.088  0.9133 0.8367615      1.286233  
1 1 1 10 5  27 o 27.319  0.7624 274.189   15.267  261.294   20.694   289.587   22.614   26.638  1.0599 28.038  1.1004 -1.399937      1.527826  
1 1 1 10 5  28 o 44.910  0.9397 742.421   30.934  737.067   43.408   747.945   44.095   44.651  1.3264 44.976  1.3376 -0.3249702     1.883713  
1 1 1 10 5  29 o 20.934  0.8610 161.225   13.211  170.048   20.608   155.069   17.214   21.403  1.3201 20.467  1.1521 0.9362698      1.752168  
1 1 1 10 6  0  o 187.293 5.1849 12941.46  710.540 13349.78  1034.99  12577.45  977.211  189.563 7.4755 184.041 7.2700 0.000000       0.000000  
1 1 1 10 6  1  o 214.276 4.2173 16925.10  662.351 17026.27  949.151  16829.07  924.737  214.260 6.0438 213.067 5.9214 1.193665       8.461123  
1 1 1 10 6  2  o 59.909  1.2766 1316.04   56.057  1418.26   79.238   1213.63   79.315   62.177  1.7387 57.512  1.8815 4.665195       2.561868  
1 1 1 10 6  3  o 171.781 3.3600 10856.21  423.056 11137.08  613.289  10601.23  584.343  173.636 4.8189 169.438 4.7052 4.197464       6.734995  
1 1 1 10 6  4  o 110.886 2.1734 4513.71   176.648 4385.64   243.072  4657.05   257.158  109.215 3.0365 112.534 3.1177 -3.318802      4.352037  
1 1 1 10 6  5  o 87.322  1.7181 2797.52   109.965 2919.36   144.823  2631.65   168.985  89.171  2.2158 84.624  2.7244 4.547272       3.511742  
1 1 1 10 6  6  o 125.878 2.4696 5820.71   227.854 5793.11   287.117  5867.65   374.484  125.490 3.1215 126.132 4.0507 -0.6420212     5.113894  
1 1 1 10 6  7  o 134.829 2.6418 6680.85   261.079 7095.31   389.898  6343.98   351.521  138.734 3.8343 131.218 3.6549 7.515656       5.297195  
1 1 1 10 6  8  o 114.022 2.5846 4777.76   216.001 4729.18   262.030  4880.76   381.563  113.365 3.1535 114.917 4.5300 -1.552628      5.519569  
1 1 1 10 6  9  o 13.610  0.7104 68.088    7.0618  67.778    8.6304   68.715    12.284   13.569  0.8724 13.632  1.2431 -0.6298065E-01 1.518674  
1 1 1 10 6  10 o 89.560  1.8777 2944.02   123.261 2869.45   159.136  3055.86   194.881  88.371  2.4569 91.147  2.9171 -2.776680      3.813843  
1 1 1 10 6  11 o 24.083  0.6037 212.598   10.656  205.309   14.011   222.601   16.412   23.665  0.8077 24.641  0.9087 -0.9755249     1.215786  
1 1 1 10 6  12 o 68.373  1.3533 1714.70   67.819  1781.97   99.473   1656.27   92.705   69.670  1.9480 67.171  1.8830 2.498337       2.709259  
1 1 1 10 6  13 o 84.668  2.3658 2634.56   146.818 2600.80   287.689  2646.45   170.723  83.650  4.7114 84.818  2.7461 -1.168015      5.453289  
1 1 1 10 6  14 o 47.286  0.9626 819.848   33.361  828.401   47.686   811.649   46.690   47.520  1.3691 47.038  1.3543 0.4824142      1.925720  
1 1 1 10 6  15 o 49.805  1.1779 909.841   42.998  827.172   55.586   1033.00   67.847   47.472  1.5975 53.043  1.7451 -5.570717      2.365897  
1 1 1 10 6  16 o 35.142  0.8646 452.837   22.271  478.783   41.444   442.301   26.409   36.113  1.5657 34.727  1.0375 1.386143       1.878273  
1 1 1 10 6  17 o 78.244  1.5516 2248.22   88.986  2329.16   149.784  2204.06   110.624  79.498  2.5705 77.426  1.9493 2.072548       3.226073  
1 1 1 10 6  18 o 78.018  1.5474 2236.15   88.488  2228.74   143.602  2240.68   112.353  77.733  2.5204 78.039  1.9642 -0.3062439     3.195418  
1 1 1 10 6  19 o 10.027  0.6354 37.016    4.6459  43.362    6.4867   30.333    6.6572   10.842  0.8224 9.0338  1.0235 1.807845       1.312952  
1 1 1 10 6  20 o 54.445  1.1081 1088.56   44.218  1185.67   67.650   1016.13   58.428   56.755  1.6262 52.556  1.5168 4.199249       2.223789  
1 1 1 10 6  21 o 78.176  2.2012 2261.81   126.129 2304.92   180.950  2221.07   175.902  78.521  3.1441 77.094  3.1129 1.426414       4.424428  
1 1 1 10 6  22 o 25.582  0.6207 240.061   11.639  237.736   16.342   242.453   16.580   25.446  0.8762 25.697  0.8803 -0.2509766     1.242010  
1 1 1 10 6  23 o 24.963  0.7142 228.675   13.067  212.254   17.677   248.457   19.402   24.034  1.0034 26.002  1.0180 -1.968094      1.429411  
1 1 1 10 6  24 o 47.857  0.9931 841.705   34.835  805.877   47.613   882.974   51.100   46.765  1.3891 48.945  1.4244 -2.179043      1.989587  
1 1 1 10 6  25 o 31.426  0.7147 362.510   16.463  350.245   22.620   376.325   24.006   30.867  0.9998 31.993  1.0238 -1.126167      1.430971  
1 1 1 10 6  26 o 5.6574  1.0784 12.169    4.3085  14.915    6.1457   9.5154    6.0419   6.2374  1.3808 5.0498  1.5131 1.187593       2.048441  
1 1 1 10 6  27 o 19.625  0.8135 141.572   11.702  151.223   16.249   131.175   16.865   20.228  1.1001 18.815  1.2297 1.413252       1.649951  
1 1 1 10 6  28 o 12.197  0.6263 54.777    5.5804  61.882    8.0414   48.178    7.7505   12.942  0.8525 11.401  0.9357 1.540404       1.265808  
1 1 1 10 7  0  o 43.598  1.2449 698.512   39.710  677.650   54.646   721.852   57.802   42.883  1.7452 44.260  1.7884 0.000000       0.000000  
1 1 1 10 7  1  o 49.131  1.0550 884.981   37.993  903.282   59.070   872.069   49.617   49.622  1.6241 48.764  1.3882 0.8585701      2.136536  
1 1 1 10 7  2  o 56.861  1.1387 1185.48   47.457  1108.03   63.227   1285.40   71.819   54.961  1.5695 59.193  1.6553 -4.232765      2.281136  
1 1 1 10 7  3  o 83.378  2.0705 2551.89   126.534 2636.16   205.825  2500.69   160.431  84.635  3.3179 82.494  2.6533 2.141258       4.248364  
1 1 1 10 7  4  o 161.934 4.0182 9670.95   476.930 10271.89  652.727  8982.63   698.565  166.485 5.3490 155.416 6.1324 11.06920       8.137478  
1 1 1 10 7  5  o 117.083 2.4743 5036.31   212.333 5057.32   253.333  4986.67   389.295  117.266 2.9474 116.158 4.5725 1.108284       5.440094  
1 1 1 10 7  6  o 69.433  1.3799 1768.17   70.224  1898.59   95.256   1612.91   103.933  71.928  1.8068 66.278  2.1395 5.650032       2.800328  
1 1 1 10 7  7  o 56.123  1.1971 1155.04   49.245  1158.89   65.698   1150.11   74.398   56.203  1.5948 55.981  1.8132 0.2221756      2.414747  
1 1 1 10 7  8  o 90.280  1.7671 2991.00   116.935 2956.71   163.499  3026.91   167.308  89.701  2.4868 90.757  2.5151 -1.055779      3.536910  
1 1 1 10 7  9  o 75.423  1.4848 2086.78   82.082  2149.52   119.233  2030.26   113.166  76.509  2.1262 74.360  2.0763 2.149193       2.971852  
1 1 1 10 7  10 f 36.887  0.7730 498.773   20.899  489.288   29.243   508.675   29.879   36.529  1.0922 37.246  1.0945 -0.7166061     1.546222  
1 1 1 10 7  11 o 54.969  1.1004 1108.00   44.334  1152.56   65.054   1069.35   60.580   56.047  1.5836 53.988  1.5309 2.058956       2.202600  
1 1 1 10 7  12 o 46.972  0.9520 808.951   32.774  770.377   44.348   855.373   48.650   45.829  1.3202 48.289  1.3745 -2.460247      1.905884  
1 1 1 10 7  13 o 59.161  1.4887 1284.21   64.555  1230.80   97.687   1325.62   86.014   57.869  2.3031 60.081  1.9532 -2.211750      3.019785  
1 1 1 10 7  14 o 125.149 2.6319 5763.02   241.419 5560.85   308.778  6080.97   387.220  122.762 3.4316 128.183 4.1214 -5.420380      5.363048  
1 1 1 10 7  15 o 50.595  1.1828 939.010   43.864  922.998   61.178   955.949   62.925   50.138  1.6647 51.025  1.6825 -0.8860893     2.366902  
1 1 1 10 7  16 f 127.212 2.8804 5970.58   268.572 5887.15   459.385  6013.91   331.039  125.482 4.9948 127.454 3.5436 -1.972565      6.124116  
1 1 1 10 7  17 o 36.156  0.7686 479.340   20.369  445.647   31.353   503.946   26.794   34.847  1.2276 37.065  0.9862 -2.218582      1.574667  
1 1 1 10 7  18 o 70.149  1.3957 1807.53   71.764  1801.28   116.733  1811.32   90.990   69.895  2.2786 70.174  1.7690 -0.2789307     2.884688  
1 1 1 10 7  19 o 20.571  0.5518 155.154   8.3198  162.275   14.041   151.301   10.328   21.030  0.9109 20.311  0.6938 0.7182102      1.145038  
1 1 1 10 7  20 o 25.111  0.6094 231.250   11.217  241.463   16.346   222.160   15.420   25.650  0.8694 24.604  0.8551 1.046047       1.219461  
1 1 1 10 7  21 o 26.292  0.8845 253.776   17.045  270.811   24.186   236.966   24.026   27.140  1.2158 25.349  1.2975 1.790955       1.778113  
1 1 1 10 7  22 o 31.490  0.7121 363.871   16.436  407.431   25.227   331.740   21.666   33.297  1.0336 30.049  0.9837 3.247835       1.426906  
1 1 1 10 7  23 o 64.824  1.6487 1551.54   78.335  1527.42   99.813   1590.21   126.401  64.161  2.1224 65.247  2.6431 -1.085579      3.389770  
1 1 1 10 7  24 o 14.201  0.5803 73.987    6.0406  70.024    8.3539   78.329    8.7450   13.784  0.8308 14.582  0.8216 -0.7980309     1.168397  
1 1 1 10 7  25 o 30.760  0.7043 347.327   15.878  320.590   21.036   382.732   24.207   29.530  0.9719 32.260  1.0237 -2.729708      1.411594  
1 1 1 10 7  26 o 24.070  0.6162 212.651   10.872  211.151   15.223   214.213   15.531   23.967  0.8666 24.139  0.8778 -0.1722202     1.233490  
1 1 1 10 7  27 o 11.186  0.8914 46.324    7.2476  41.519    9.0114   55.125    12.196   10.542  1.1869 12.128  1.3975 -1.586260      1.833493  
1 1 1 10 7  28 o 18.817  0.5821 130.005   8.0278  139.160   11.719   121.912   11.019   19.450  0.8221 18.204  0.8258 1.245508       1.165237  
1 1 1 10 8  0  o 273.745 7.6341 27853.43  1529.04 27702.36  2149.49  28008.20  2175.53  271.062 10.859 272.510 10.932 0.000000       0.000000  
1 1 1 10 8  1  f 63.994  1.2700 1501.82   59.572  1542.48   86.870   1465.72   81.848   64.831  1.8281 63.201  1.7669 1.630726       2.542414  
1 1 1 10 8  2  o 75.295  1.5913 2079.88   87.824  2199.15   140.770  2003.88   112.375  77.366  2.4825 73.879  2.0752 3.486336       3.235620  
1 1 1 10 8  3  o 85.172  2.3752 2664.86   148.282 3027.80   236.287  2429.07   190.452  90.654  3.5561 81.239  3.1985 9.415375       4.782864  
1 1 1 10 8  4  o 73.146  1.6815 1963.14   90.150  1923.68   107.946  2054.10   163.900  72.387  2.0345 74.724  2.9925 -2.337448      3.618620  
1 1 1 10 8  5  f 119.640 2.3383 5258.08   205.051 5443.36   268.218  4997.50   318.090  121.635 3.0085 116.426 3.7275 5.209343       4.790128  
1 1 1 10 8  6  o 120.533 2.3580 5337.32   208.318 5389.36   266.421  5255.45   334.171  121.028 3.0033 119.370 3.8194 1.658180       4.858768  
1 1 1 10 8  7  o 69.098  1.3727 1751.23   69.521  1674.60   93.998   1843.76   103.293  67.543  1.8987 70.867  1.9886 -3.323891      2.749480  
1 1 1 10 8  8  o 147.598 2.8821 8014.03   311.799 8163.55   449.114  7874.90   433.216  148.676 4.1213 146.044 4.0471 2.632065       5.776161  
1 1 1 10 8  9  o 91.664  1.7975 3083.87   120.769 3121.78   173.101  3047.92   168.576  92.154  2.5627 91.061  2.5257 1.092796       3.598169  
1 1 1 10 8  10 o 94.940  1.8767 3308.88   130.594 3322.93   185.198  3294.97   184.183  95.061  2.6580 94.660  2.6546 0.4003906      3.756573  
1 1 1 10 8  11 o 69.090  1.3659 1751.02   69.170  1812.92   101.235  1696.82   94.731   70.265  1.9657 67.982  1.9012 2.282707       2.734644  
1 1 1 10 8  12 o 120.244 2.7339 5320.53   240.954 5364.68   418.087  5298.58   294.846  120.250 4.7435 119.872 3.3558 0.3778305      5.810548  
1 1 1 10 8  13 o 179.653 4.0881 11943.30  538.314 11230.55  717.225  12862.77  814.625  173.456 5.6414 185.417 5.9942 -11.96007      8.231334  
1 1 1 10 8  14 o 55.581  1.1258 1133.09   45.865  1191.05   67.709   1083.94   62.347   56.959  1.6218 54.341  1.5653 2.618191       2.253996  
1 1 1 10 8  15 o 35.148  0.8021 452.961   20.664  427.170   30.206   475.648   28.330   34.122  1.2078 36.010  1.0734 -1.888401      1.615802  
1 1 1 10 8  16 o 18.349  0.6260 123.439   8.4196  104.388   14.709   132.723   10.268   16.823  1.2007 19.026  0.7363 -2.202192      1.408535  
1 1 1 10 8  17 o 70.394  1.3984 1819.89   72.153  1904.68   123.168  1775.59   89.028   71.880  2.3378 69.491  1.7479 2.388550       2.919002  
1 1 1 10 8  18 o 38.176  0.8055 534.571   22.538  543.802   37.625   529.406   28.146   38.474  1.3342 37.981  1.0110 0.4931107      1.674024  
1 1 1 10 8  19 o 15.095  0.5298 83.543    5.8619  78.051    9.4713   86.953    7.4630   14.556  0.8920 15.398  0.6613 -0.8412027     1.110392  
1 1 1 10 8  20 o 34.143  0.7380 427.703   18.468  429.531   30.395   426.634   23.252   34.182  1.2132 34.088  0.9306 0.9369659E-01  1.528998  
1 1 1 10 8  21 o 43.843  1.0531 706.381   33.843  659.405   44.556   770.443   52.031   42.311  1.4367 45.715  1.5528 -3.404423      2.115528  
1 1 1 10 8  22 o 58.023  1.1724 1238.41   49.859  1207.34   68.927   1272.51   72.210   57.188  1.6444 58.702  1.6783 -1.514111      2.349588  
1 1 1 10 8  23 o 35.062  0.8260 451.441   21.227  495.154   30.121   408.313   29.918   36.690  1.1200 33.305  1.2256 3.384434       1.660287  
1 1 1 10 8  24 o 35.010  0.8228 450.157   21.115  411.990   25.935   525.187   36.363   33.469  1.0572 37.752  1.3141 -4.282784      1.686605  
1 1 1 10 8  25 o 25.337  0.6335 235.616   11.764  235.805   16.591   235.425   16.684   25.329  0.8937 25.308  0.8994 0.2089500E-01  1.267899  
1 1 1 10 8  26 o 8.8870  0.7730 29.241    4.9849  35.912    7.1671   22.990    6.9379   9.8253  1.0096 7.7960  1.2569 2.029304       1.612154  
1 1 1 10 8  27 o 49.737  1.0319 911.699   37.616  902.675   52.630   921.122   53.784   49.353  1.4549 49.848  1.4721 -0.4951591     2.069726  
1 1 1 10 8  28 o 11.384  0.6655 47.776    5.5284  45.649    7.6906   50.051    7.9527   11.091  0.9553 11.619  0.9419 -0.5279531     1.341563  
1 1 1 10 9  0  o 57.618  1.6224 1220.26   68.393  1266.89   100.020  1179.30   93.730   58.621  2.3363 56.559  2.2693 0.000000       0.000000  
1 1 1 10 9  1  o 170.337 3.3549 10686.46  418.859 10623.42  589.107  10750.92  595.660  169.413 4.7442 170.418 4.7687 -1.004837      6.726706  
1 1 1 10 9  2  o 59.395  1.1791 1293.65   51.331  1335.82   74.741   1256.00   70.619   60.335  1.6901 58.507  1.6468 1.828392       2.359712  
1 1 1 10 9  3  o 57.720  1.2242 1221.78   51.792  1215.12   68.155   1230.88   79.678   57.548  1.6158 57.908  1.8773 -0.3600578     2.476876  
1 1 1 10 9  4  o 46.885  0.9499 805.918   32.644  763.902   39.430   897.460   58.201   45.641  1.1787 49.457  1.6055 -3.815918      1.991729  
1 1 1 10 9  5  o 46.522  0.9336 793.484   31.834  798.417   40.529   785.537   51.435   46.660  1.1851 46.273  1.5165 0.3874435      1.924627  
1 1 1 10 9  6  o 105.570 2.0771 4092.64   160.720 4319.11   214.436  3802.34   242.778  108.377 2.6995 101.608 3.2599 6.768753       4.232499  
1 1 1 10 9  7  o 53.021  1.0592 1030.82   41.164  1080.40   60.849   988.980   55.896   54.266  1.5298 51.921  1.4688 2.344418       2.120788  
1 1 1 10 9  8  o 32.689  0.6930 391.693   16.605  388.480   23.516   394.888   23.449   32.550  0.9856 32.818  0.9749 -0.2675285     1.386305  
1 1 1 10 9  9  o 75.224  1.7114 2076.82   94.362  2047.63   161.007  2092.09   116.459  74.587  2.9451 75.472  2.1053 -0.8849945     3.620181  
1 1 1 10 9  10 o 103.828 2.8778 3967.95   219.006 3686.43   406.843  4082.81   259.871  99.325  5.6113 105.236 3.3691 -5.910172      6.545069  
1 1 1 10 9  11 o 85.341  1.9357 2674.75   121.083 2723.49   174.440  2629.45   168.204  86.020  2.7667 84.529  2.7149 1.491425       3.876245  
1 1 1 10 9  12 o 45.635  1.0723 763.731   35.865  808.437   65.619   744.686   42.829   46.917  1.9082 45.055  1.2969 1.861523       2.307213  
1 1 1 10 9  13 o 49.017  1.0660 881.192   38.299  921.960   52.831   836.039   55.600   50.123  1.4381 47.723  1.5895 2.399902       2.143518  
1 1 1 10 9  14 o 73.467  1.4534 1981.22   78.263  2059.21   114.916  1913.76   106.882  74.834  2.0951 72.151  2.0211 2.682854       2.911037  
1 1 1 10 9  15 o 41.314  0.9153 625.987   27.718  637.236   43.121   618.066   36.184   41.662  1.4121 41.040  1.2029 0.6214600      1.854975  
1 1 1 10 9  16 o 55.231  1.4118 1120.27   57.154  1184.98   95.516   1084.17   71.334   56.706  2.2981 54.299  1.7923 2.407139       2.914381  
1 1 1 10 9  17 o 53.384  1.0819 1046.02   42.334  1094.80   71.918   1020.15   52.368   54.541  1.7990 52.697  1.3558 1.844543       2.252704  
1 1 1 10 9  18 o 102.322 2.0202 3862.49   151.515 4125.43   263.285  3732.28   185.268  105.104 3.4176 100.400 2.5176 4.704193       4.244821  
1 1 1 10 9  19 f 25.377  0.6066 236.183   11.283  231.749   18.293   238.905   14.334   25.122  0.9934 25.517  0.7664 -0.3952351     1.254719  
1 1 1 10 9  20 o 53.497  1.2497 1052.65   49.004  1042.27   84.185   1057.97   60.267   53.041  2.1654 53.583  1.5345 -0.5418587     2.654004  
1 1 1 10 9  21 o 14.439  0.5448 76.472    5.7656  59.982    8.6963   89.406    7.7017   12.744  0.9376 15.610  0.6732 -2.865622      1.154205  
1 1 1 10 9  22 o 41.302  0.8690 626.535   26.308  622.464   36.943   630.724   37.474   41.123  1.2256 41.394  1.2351 -0.2705803     1.740022  
1 1 1 10 9  23 o 16.051  0.5641 94.508    6.6368  83.114    8.8299   109.302   10.062   15.023  0.8048 17.253  0.7957 -2.229834      1.131767  
1 1 1 10 9  24 o 42.436  1.0366 662.410   32.242  635.253   44.235   693.192   47.094   41.482  1.4549 43.326  1.4830 -1.844273      2.077475  
1 1 1 10 9  25 o 31.356  0.7120 361.064   16.363  354.877   22.697   367.759   23.611   31.056  0.9971 31.611  1.0191 -0.5557938     1.425732  
1 1 1 10 9  26 f 26.833  0.7039 264.527   13.844  254.966   17.841   278.995   21.947   26.320  0.9248 27.509  1.0885 -1.189541      1.428302  
1 1 1 10 9  27 o 44.447  0.9325 727.626   30.378  754.927   44.328   703.450   41.714   45.153  1.3394 43.598  1.3054 1.555416       1.870282  
1 1 1 10 10 0  o 68.287  1.9080 1714.40   95.329  1745.34   137.156  1685.49   132.593  68.788  2.7301 67.600  2.6857 0.000000       0.000000  
1 1 1 10 10 1  o 21.678  0.5119 172.246   8.1337  170.069   11.394   174.507   11.614   21.539  0.7217 21.819  0.7263 -0.2791462     1.023890  
1 1 1 10 10 2  o 132.349 2.6014 6440.22   252.357 6667.80   367.437  6237.02   347.196  134.439 3.7289 130.043 3.6426 4.395584       5.212748  
1 1 1 10 10 3  o 15.039  0.4524 82.900    4.9869  89.882    6.6666   74.030    7.5144   15.659  0.5808 14.192  0.7248 1.466982       0.9287986 
1 1 1 10 10 4  o 68.766  1.3594 1734.54   68.519  1750.48   87.705   1709.57   109.766  69.062  1.7326 68.220  2.1952 0.8419113      2.796607  
1 1 1 10 10 5  o 58.706  1.1630 1263.88   50.044  1254.60   62.947   1279.83   82.502   58.479  1.4686 59.042  1.9064 -0.5638161     2.406484  
1 1 1 10 10 6  o 94.652  1.8539 3288.94   128.614 3425.65   169.158  3101.63   198.004  96.545  2.3905 91.798  2.9428 4.746483       3.791348  
1 1 1 10 10 7  o 58.856  1.1683 1270.36   50.401  1222.39   68.688   1326.33   74.185   57.715  1.6237 60.116  1.6836 -2.400829      2.339028  
1 1 1 10 10 8  o 12.071  0.5038 53.409    4.4575  59.421    6.6456   48.492    6.0100   12.712  0.7162 11.479  0.7179 1.232557       1.014074  
1 1 1 10 10 9  o 116.023 2.2843 4947.59   194.254 4886.89   270.368  5012.37   279.283  115.149 3.2034 116.604 3.2677 -1.455566      4.576038  
1 1 1 10 10 10 o 23.728  0.5697 206.369   9.9082  190.454   13.499   224.961   14.590   22.792  0.8080 24.771  0.8036 -1.978973      1.139561  
1 1 1 10 10 11 o 113.673 2.2264 4750.04   185.501 4612.69   254.548  4905.60   270.890  111.856 3.1048 115.330 3.2046 -3.474472      4.461932  
1 1 1 10 10 12 o 29.322  0.9065 315.273   19.483  308.826   37.079   317.732   22.899   28.946  1.7560 29.433  1.0614 -0.4876652     2.051888  
1 1 1 10 10 13 o 75.235  1.4920 2077.97   82.276  2067.66   115.468  2088.61   117.264  74.984  2.1009 75.360  2.1230 -0.3761292     2.986791  
1 1 1 10 10 14 o 37.744  0.7911 522.383   21.885  512.927   30.637   532.236   31.273   37.390  1.1179 38.087  1.1202 -0.6971817     1.582624  
1 1 1 10 10 15 f 21.781  0.5998 173.928   9.5754  168.243   14.353   178.488   12.854   21.417  0.9143 22.062  0.7949 -0.6447868     1.211578  
1 1 1 10 10 16 o 61.264  1.5590 1379.76   70.005  1277.40   103.124  1467.25   95.338   58.825  2.3917 63.104  2.0612 -4.278736      3.157384  
1 1 1 10 10 17 o 82.048  1.6280 2477.39   97.903  2473.11   159.955  2479.95   123.801  81.689  2.6715 81.987  2.0601 -0.2979660     3.373574  
1 1 1 10 10 18 o 26.830  0.7177 264.067   14.113  288.975   25.836   253.473   16.850   28.037  1.2572 26.279  0.8748 1.757742       1.531602  
1 1 1 10 10 19 o 12.988  0.6804 62.058    6.4544  71.618    10.295   55.867    8.2845   13.926  1.0156 12.300  0.9257 1.625989       1.374216  
1 1 1 10 10 20 o 14.279  0.7256 75.025    7.5694  89.829    14.017   68.931    8.9935   15.575  1.2380 13.670  0.9027 1.905384       1.532174  
1 1 1 10 10 21 o 41.707  1.0076 639.376   30.801  652.723   54.234   633.021   37.422   42.013  1.7612 41.469  1.2312 0.5439339      2.148848  
1 1 1 10 10 22 o 30.344  0.6962 337.950   15.483  332.032   24.963   341.651   19.739   30.039  1.1338 30.495  0.8831 -0.4562092     1.437102  
1 1 1 10 10 23 o 27.856  0.6609 284.797   13.494  298.002   19.571   272.830   18.630   28.473  0.9378 27.244  0.9329 1.228699       1.322786  
1 1 1 10 10 24 o 48.268  1.1565 858.250   40.916  881.414   59.581   837.576   56.288   48.780  1.6664 47.567  1.6145 1.213009       2.320219  
1 1 1 10 10 25 o 21.361  0.5926 167.498   9.2780  167.587   13.025   167.407   13.220   21.349  0.8324 21.337  0.8453 0.1257706E-01  1.186321  
1 1 1 10 10 26 o 18.147  0.7931 121.117   10.549  122.534   13.899   119.191   16.201   18.200  1.0463 17.915  1.2414 0.2848206      1.623570  
1 1 1 10 10 27 o 19.738  0.5945 143.083   8.6004  152.159   12.417   134.712   11.924   20.333  0.8331 19.130  0.8504 1.202898       1.190497  
1 1 1 10 11 0  o 162.713 4.5154 9775.67   537.575 9390.03   731.125  10229.51  793.148  158.897 6.3001 165.784 6.5505 0.000000       0.000000  
1 1 1 10 11 1  o 240.742 4.7398 21484.83  836.359 22086.59  1215.04  20942.97  1152.98  242.604 6.8330 236.382 6.6547 6.221878       9.538077  
1 1 1 10 11 2  o 158.621 3.1047 9266.58   360.962 9009.29   495.125  9558.44   527.352  156.040 4.3291 160.671 4.4780 -4.631607      6.228441  
1 1 1 10 11 3  f 68.380  1.3488 1715.20   67.601  1642.74   82.018   1868.70   119.379  66.903  1.6726 71.311  2.2840 -4.408592      2.830902  
1 1 1 10 11 4  o 62.783  1.2426 1445.73   57.182  1451.67   72.766   1436.15   92.462   62.896  1.5784 62.534  2.0173 0.3626556      2.561407  
1 1 1 10 11 5  o 20.350  0.5429 151.797   8.0979  150.540   9.7045   154.680   14.694   20.265  0.6533 20.539  0.9761 -0.2739296     1.174562  
1 1 1 10 11 6  o 44.847  0.9130 737.435   30.011  697.501   36.107   826.668   53.975   43.611  1.1296 47.463  1.5515 -3.852009      1.919149  
1 1 1 10 11 7  o 119.225 2.3288 5225.36   203.503 5413.06   297.765  5060.86   278.767  121.148 3.3533 117.163 3.2461 3.984146       4.667159  
1 1 1 10 11 8  o 105.768 2.0751 4110.34   160.869 4365.42   240.332  3903.29   216.531  108.846 3.0124 102.949 2.8696 5.896576       4.160443  
1 1 1 10 11 9  o 93.515  1.8430 3211.67   126.322 3194.32   178.327  3229.14   178.967  93.163  2.6115 93.670  2.6067 -0.5071487     3.689822  
1 1 1 10 11 10 o 24.193  0.5678 214.543   10.068  224.820   14.865   205.834   13.684   24.763  0.8190 23.694  0.7879 1.068258       1.136516  
1 1 1 10 11 11 o 102.236 2.1470 3843.29   160.887 3839.62   245.652  3846.05   212.903  101.959 3.2871 102.144 2.8437 -0.1852036     4.346479  
1 1 1 10 11 12 o 35.497  0.8683 462.055   22.592  473.105   32.549   451.784   31.381   35.907  1.2367 35.089  1.2202 0.8178329      1.737333  
1 1 1 10 11 13 o 47.685  0.9681 834.060   33.837  836.934   48.261   831.283   47.455   47.745  1.3791 47.585  1.3606 0.1603241      1.937283  
1 1 1 10 11 14 o 133.284 2.6276 6558.63   256.698 6671.92   368.318  6451.63   357.957  133.919 3.7523 131.713 3.7078 2.206268       5.275230  
1 1 1 10 11 15 o 58.380  1.1703 1251.27   50.080  1262.54   71.674   1240.52   70.002   58.589  1.6690 58.079  1.6444 0.5100555      2.343018  
1 1 1 10 11 16 o 40.237  1.0671 594.404   31.471  637.314   53.537   571.747   38.902   41.601  1.7558 39.442  1.3456 2.158657       2.212135  
1 1 1 10 11 17 o 26.825  0.6739 263.949   13.251  264.661   25.911   263.697   15.420   26.828  1.3177 26.808  0.7848 0.1988411E-01  1.533656  
1 1 1 10 11 18 o 17.583  0.5272 113.381   6.7947  116.955   11.465   111.445   8.4358   17.848  0.8764 17.430  0.6603 0.4187393      1.097318  
1 1 1 10 11 19 o 16.093  0.5311 94.983    6.2641  107.888   10.853   88.536    7.6706   17.119  0.8678 15.534  0.6737 1.585187       1.098625  
1 1 1 10 11 20 o 61.315  1.4279 1386.09   64.173  1365.25   110.119  1396.80   78.968   60.488  2.4838 61.459  1.7530 -0.9710083     3.040100  
1 1 1 10 11 21 o 23.426  0.5938 201.345   10.196  228.403   18.297   189.159   12.279   24.925  1.0016 22.699  0.7380 2.225634       1.244117  
1 1 1 10 11 22 o 38.750  0.8261 551.604   23.462  545.312   37.955   555.495   29.847   38.454  1.3466 38.859  1.0479 -0.4051056     1.706340  
1 1 1 10 11 23 o 84.192  1.6789 2625.49   103.606 2568.89   165.692  2661.82   132.762  82.558  2.7382 84.491  2.1438 -1.933426      3.477571  
1 1 1 10 11 24 o 9.7969  1.0902 35.789    7.6955  29.881    9.5931   46.453    12.889   8.8610  1.5325 11.078  1.6366 -2.217363      2.242083  
1 1 1 10 11 25 o 9.3870  0.7138 32.569    4.8744  34.879    6.7843   30.104    7.0080   9.6832  0.9689 8.9699  1.0882 0.7133474      1.457027  
1 1 1 10 11 26 o 21.824  0.7042 175.091   11.264  174.965   15.230   175.244   16.736   21.789  0.9537 21.793  1.0477 -0.4707336E-02 1.416770  
1 1 1 10 12 0  o 222.145 6.1981 18321.82  1007.42 17928.66  1392.52  18753.55  1459.24  218.357 8.7324 223.203 8.9523 0.000000       0.000000  
1 1 1 10 12 1  o 56.334  1.1188 1163.84   46.196  1193.44   66.907   1136.87   63.860   57.024  1.6008 55.659  1.5654 1.365944       2.238944  
1 1 1 10 12 2  o 78.897  1.5548 2284.35   89.914  2445.93   120.937  2084.66   134.448  81.601  2.0220 75.295  2.4362 6.306236       3.165993  
1 1 1 10 12 3  o 93.487  1.8392 3209.19   126.028 3257.93   162.210  3134.94   200.180  94.137  2.3509 92.258  2.9603 1.879089       3.780249  
1 1 1 10 12 4  o 29.365  0.6362 316.089   13.692  303.774   16.920   339.452   23.306   28.785  0.8020 30.425  1.0451 -1.639496      1.317362  
1 1 1 10 12 5  o 79.839  1.5657 2339.49   91.626  2366.42   117.174  2297.11   146.994  80.261  1.9918 79.018  2.5380 1.242859       3.226281  
1 1 1 10 12 6  o 53.912  1.0807 1065.97   42.706  1001.19   50.778   1222.53   78.940   52.239  1.3262 57.694  1.8668 -5.455048      2.289867  
1 1 1 10 12 7  o 111.289 2.1773 4552.85   177.604 4433.58   244.599  4685.85   258.301  109.662 3.0431 112.720 3.1264 -3.058037      4.362882  
1 1 1 10 12 8  o 62.816  1.2479 1447.57   57.456  1360.43   76.630   1559.47   86.833   60.867  1.7176 65.160  1.8181 -4.292797      2.501177  
1 1 1 10 12 9  o 28.800  0.6313 304.053   13.326  311.371   19.240   297.306   18.475   29.140  0.9008 28.474  0.8852 0.6654835      1.262945  
1 1 1 10 12 10 o 68.239  1.3510 1709.02   67.573  1744.52   97.370   1676.05   93.852   68.893  1.9283 67.530  1.8961 1.362366       2.704339  
1 1 1 10 12 11 o 19.998  0.5958 146.608   8.7325  156.538   16.060   142.439   10.405   20.629  1.0658 19.710  0.7202 0.9192696      1.286314  
1 1 1 10 12 12 o 54.957  1.2722 1108.66   51.245  1132.99   73.916   1086.13   71.108   55.510  1.8167 54.353  1.7849 1.156822       2.546842  
1 1 1 10 12 13 f 65.993  1.3214 1599.24   63.918  1649.95   93.084   1554.01   87.925   66.961  1.8966 64.992  1.8457 1.969009       2.646465  
1 1 1 10 12 14 o 46.688  0.9527 799.835   32.602  809.966   46.828   790.305   45.417   46.953  1.3607 46.382  1.3360 0.5713005      1.906885  
1 1 1 10 12 15 o 46.609  0.9514 797.304   32.503  801.833   46.234   792.879   45.702   46.706  1.3506 46.445  1.3425 0.2606888      1.904284  
1 1 1 10 12 16 o 61.754  1.4275 1403.20   64.612  1355.99   88.638   1456.74   94.383   60.590  1.9959 62.787  2.0509 -2.196926      2.861783  
1 1 1 10 12 17 o 47.784  1.0417 838.948   36.483  796.372   53.395   876.232   49.966   46.481  1.5673 48.784  1.3974 -2.303818      2.099777  
1 1 1 10 12 18 o 10.374  0.5887 39.600    4.4579  41.692    7.4556   38.436    5.5617   10.609  0.9695 10.206  0.7487 0.4026499      1.224961  
1 1 1 10 12 19 o 18.869  0.5686 130.610   7.8643  132.705   12.413   129.205   10.165   19.006  0.8911 18.761  0.7392 0.2452145      1.157752  
1 1 1 10 12 20 o 19.771  0.5986 143.415   8.6742  125.332   12.176   162.053   12.361   18.469  0.8994 21.006  0.8028 -2.537592      1.205617  
1 1 1 10 12 21 o 30.319  0.6824 337.426   15.165  326.473   24.375   344.342   19.371   29.782  1.1166 30.613  0.8633 -0.8309422     1.411437  
1 1 1 10 12 22 o 14.442  0.5489 76.522    5.8102  74.191    9.4265   77.950    7.3784   14.177  0.9120 14.571  0.6909 -0.3941488     1.144134  
1 1 1 10 12 23 o 14.873  0.5621 81.175    6.1278  84.368    10.207   79.375    7.6621   15.117  0.9257 14.701  0.7111 0.4157534      1.167293  
1 1 1 10 12 24 o 22.330  0.7845 183.342   12.840  180.376   20.829   185.160   16.307   22.050  1.2944 22.419  0.9924 -0.3687210     1.631080  
1 1 1 10 12 25 o 32.426  0.7839 386.783   18.630  377.816   27.934   393.967   25.002   31.969  1.1921 32.678  1.0439 -0.7092094     1.584575  
1 1 1 10 12 26 o 20.812  0.6077 159.122   9.2696  166.264   13.093   151.944   13.125   21.250  0.8406 20.309  0.8817 0.9405022      1.218230  
1 1 1 10 13 0  o 20.499  0.7094 154.576   10.630  161.104   15.661   148.999   14.475   20.887  1.0286 20.088  0.9886 0.000000       0.000000  
1 1 1 10 13 1  o 73.037  1.4417 1957.60   77.179  2052.43   102.021  1830.71   118.012  74.751  1.8620 70.558  2.2819 4.192963       2.945212  
1 1 1 10 13 2  o 51.287  1.0233 964.657   38.466  948.308   47.884   994.403   64.589   50.841  1.2850 52.041  1.6933 -1.200089      2.125668  
1 1 1 10 13 3  o 17.183  0.4666 108.221   5.8762  109.093   7.6551   106.970   9.1687   17.251  0.6054 17.082  0.7323 0.1696110      0.9501641 
1 1 1 10 13 4  o 54.739  1.0959 1099.00   43.968  1152.21   58.297   1028.80   66.960   56.033  1.4195 52.930  1.7260 3.102818       2.234687  
1 1 1 10 13 5  o 39.703  0.8162 577.950   23.751  603.904   31.371   543.094   36.354   40.578  1.0548 38.474  1.2892 2.104488       1.665682  
1 1 1 10 13 6  o 69.399  1.3681 1767.43   69.592  1735.35   96.678   1801.93   100.255  68.722  1.9193 70.025  1.9533 -1.302719      2.738460  
1 1 1 10 13 7  o 116.228 2.2821 4970.20   194.416 4798.70   266.337  5165.81   284.446  113.993 3.1877 118.246 3.2820 -4.252945      4.575211  
1 1 1 10 13 8  o 107.510 2.1074 4251.23   166.065 4516.56   248.695  4037.73   223.089  110.592 3.0680 104.605 2.9097 5.986526       4.228365  
1 1 1 10 13 9  o 47.381  0.9582 823.396   33.276  799.729   45.959   849.476   48.244   46.676  1.3434 48.105  1.3683 -1.428387      1.917502  
1 1 1 10 13 10 o 25.129  0.5787 231.492   10.658  239.604   15.613   224.413   14.584   25.561  0.8334 24.738  0.8044 0.8229294      1.158250  
1 1 1 10 13 11 o 88.123  2.1975 2861.26   141.937 2737.67   302.633  2896.11   160.708  85.187  4.8671 88.595  2.4749 -3.407623      5.460149  
1 1 1 10 13 12 o 50.364  1.0248 930.799   37.831  918.800   52.739   943.517   54.298   50.006  1.4389 50.672  1.4620 -0.6660538     2.051264  
1 1 1 10 13 13 o 89.623  1.7662 2957.16   116.020 2969.08   164.788  2945.44   163.376  89.596  2.5093 89.242  2.4977 0.3537140      3.540508  
1 1 1 10 13 14 o 14.846  0.5411 80.813    5.8882  83.132    8.1578   78.291    8.5075   15.054  0.7393 14.586  0.7988 0.4678326      1.088427  
1 1 1 10 13 15 o 50.485  1.0259 936.115   37.962  961.301   54.984   913.173   52.477   51.101  1.4680 49.810  1.4374 1.290997       2.054533  
1 1 1 10 13 16 o 65.590  1.5177 1585.63   72.961  1495.03   97.538   1700.72   109.936  63.526  2.0948 67.712  2.2151 -4.186337      3.048743  
1 1 1 10 13 17 o 12.140  0.6605 54.238    5.8552  42.812    11.732   58.029    6.7569   10.665  1.5459 12.552  0.7377 -1.887645      1.712901  
1 1 1 10 13 18 o 44.718  0.9201 734.823   30.157  713.284   48.194   748.683   38.660   43.961  1.4957 45.101  1.1695 -1.139454      1.898647  
1 1 1 10 13 19 o 40.289  1.0576 597.113   31.232  549.489   63.407   612.370   35.888   38.330  2.2670 40.779  1.2007 -2.449242      2.565340  
1 1 1 10 13 20 o 18.132  0.5404 120.618   7.1823  132.083   12.653   115.167   8.7241   18.956  0.9107 17.713  0.6720 1.243399       1.131743  
1 1 1 10 13 21 o 22.294  0.5750 182.376   9.3963  169.906   15.032   190.372   12.038   21.494  0.9542 22.769  0.7213 -1.274883      1.196132  
1 1 1 10 13 22 o 13.511  0.5575 66.989    5.5204  67.118    9.2088   66.916    6.8972   13.475  0.9382 13.480  0.7005 -0.5227089E-02 1.170882  
1 1 1 10 13 23 o 20.156  0.5670 149.139   8.3762  149.535   13.863   148.911   10.512   20.153  0.9385 20.131  0.7124 0.2254295E-01  1.178259  
1 1 1 10 13 24 o 14.484  0.7834 77.394    8.2856  82.261    14.660   75.109    10.044   14.837  1.3633 14.242  0.9679 0.5941591      1.671938  
1 1 1 10 13 25 o 12.255  0.7017 55.412    6.2769  52.291    11.260   56.818    7.5607   11.802  1.3245 12.393  0.8372 -0.5912895     1.566943  
1 1 1 10 14 0  o 10.599  0.6834 41.686    5.2586  57.010    8.2929   31.380    6.8007   12.367  0.9268 9.0704  1.0609 0.000000       0.000000  
1 1 1 10 14 1  o 68.730  1.3570 1733.57   68.363  1795.35   89.564   1647.34   105.815  69.912  1.7478 66.928  2.1570 2.983780       2.776274  
1 1 1 10 14 2  o 42.170  0.8580 652.068   26.518  616.388   31.885   732.119   47.759   40.994  1.0612 44.660  1.4590 -3.666061      1.804102  
1 1 1 10 14 3  o 117.879 2.3062 5113.37   199.259 5133.54   253.038  5080.43   323.288  117.963 2.9266 117.098 3.7667 0.8649368      4.769960  
1 1 1 10 14 4  o 22.893  0.5734 192.115   9.6212  179.777   12.447   210.428   15.164   22.143  0.7669 23.955  0.8637 -1.811850      1.155031  
1 1 1 10 14 5  o 108.419 2.1316 4324.22   169.394 4488.78   222.151  4095.62   261.827  110.325 2.7472 105.209 3.3953 5.116112       4.367552  
1 1 1 10 14 6  o 89.623  1.7711 2951.90   116.342 2745.60   152.545  3238.76   179.878  86.332  2.4107 93.723  2.6185 -7.390076      3.559219  
1 1 1 10 14 7  o 32.806  0.6947 394.610   16.705  391.628   23.618   397.595   23.631   32.675  0.9862 32.923  0.9793 -0.2481880     1.389773  
1 1 1 10 14 8  o 58.231  1.1605 1244.45   49.530  1223.36   69.057   1266.78   71.079   57.696  1.6330 58.709  1.6518 -1.013008      2.322732  
1 1 1 10 14 9  o 51.502  1.0316 973.258   38.942  986.417   55.854   960.811   54.321   51.817  1.4706 51.142  1.4491 0.6751289      2.064647  
1 1 1 10 14 10 o 32.615  0.6969 390.082   16.659  382.651   23.342   397.796   23.783   32.293  0.9862 32.926  0.9855 -0.6329002     1.394151  
1 1 1 10 14 11 o 25.206  0.7367 233.019   13.610  232.702   20.901   233.252   17.933   25.176  1.1327 25.212  0.9704 -0.3581810E-01 1.491535  
1 1 1 10 14 12 o 57.909  1.1580 1231.71   49.151  1253.28   70.761   1211.60   68.322   58.347  1.6546 57.373  1.6247 0.9738312      2.318917  
1 1 1 10 14 13 o 50.304  1.0186 929.250   37.558  933.886   53.470   924.735   52.767   50.378  1.4481 50.132  1.4360 0.2457352      2.039389  
1 1 1 10 14 14 o 38.577  0.8078 546.208   22.841  543.685   32.360   548.714   32.245   38.459  1.1480 38.637  1.1386 -0.1784019     1.616870  
1 1 1 10 14 15 o 20.012  0.5329 146.880   7.8173  149.395   11.405   144.651   10.736   20.174  0.7713 19.853  0.7378 0.3216076      1.067344  
1 1 1 10 14 16 o 37.761  0.9222 523.852   25.523  536.410   36.976   512.425   35.273   38.161  1.3220 37.302  1.2901 0.8584061      1.847161  
1 1 1 10 14 17 o 7.7043  0.8510 22.070    4.7253  11.079    10.298   25.001    5.3183   5.7561  1.9976 8.1997  0.8997 -2.443529      2.190815  
1 1 1 10 14 18 o 26.008  0.6114 248.220   11.655  250.814   19.409   246.758   14.576   26.114  1.0140 25.922  0.7672 0.1920662      1.271539  
1 1 1 10 14 19 o 12.387  0.7018 56.512    6.3454  43.518    9.7445   66.077    8.3610   10.794  1.2552 13.382  0.8569 -2.588346      1.519783  
1 1 1 10 14 20 o 43.295  0.9048 689.219   28.712  690.527   47.194   688.451   36.178   43.215  1.4900 43.229  1.1418 -0.1415253E-01 1.877155  
1 1 1 10 14 21 o 13.732  0.5522 69.200    5.5581  62.696    8.8412   73.450    7.1470   13.021  0.9325 14.142  0.6895 -1.120723      1.159763  
1 1 1 10 14 22 o 30.916  0.6978 351.168   15.811  332.215   24.908   363.960   20.463   30.008  1.1325 31.449  0.8877 -1.441378      1.438924  
1 1 1 10 14 23 o 3.6086  1.2183 4.4869    3.8241  8.1441    6.0772   2.0896    4.9204   4.7457  1.5333 3.3406  1.3331 1.405073       2.031781  
1 1 1 10 14 24 o 4.8059  1.2935 8.8546    4.6570  4.4283    6.2628   14.329    6.9649   4.0539  1.5351 6.0860  1.5555 -2.032039      2.185439  
1 1 1 10 14 25 o 10.571  0.8215 41.396    6.3151  34.179    9.5933   46.915    8.3892   9.4877  1.4234 11.225  1.0312 -1.737363      1.757701  
1 1 1 10 15 0  o 6.1078  1.0857 14.906    4.4025  11.058    8.2985   16.414    5.1936   4.5286  2.1705 6.3521  1.2546 0.000000       0.000000  
1 1 1 10 15 1  o 49.458  0.9904 897.288   35.903  936.593   47.294   843.827   55.156   50.514  1.2773 47.928  1.5701 2.585777       2.024039  
1 1 1 10 15 2  o 69.633  1.3853 1780.24   70.703  1722.66   87.058   1891.82   121.178  68.461  1.7349 71.664  2.3070 -3.203178      2.886536  
1 1 1 10 15 3  o 45.460  0.9181 758.014   30.590  755.408   38.727   762.337   49.881   45.370  1.1646 45.558  1.4938 -0.1878662     1.894095  
1 1 1 10 15 4  o 41.456  0.8450 630.314   25.675  608.287   31.584   673.229   44.086   40.717  1.0583 42.817  1.4048 -2.099480      1.758789  
1 1 1 10 15 5  o 23.932  0.5522 209.963   9.6864  201.143   12.046   226.102   16.295   23.421  0.7017 24.828  0.8954 -1.406458      1.137612  
1 1 1 10 15 6  o 18.991  0.4998 132.206   6.9573  139.189   10.324   126.395   9.4168   19.483  0.7230 18.566  0.6920 0.9165421      1.000766  
1 1 1 10 15 7  o 83.415  1.6475 2558.57   100.730 2443.20   136.257  2697.59   149.580  81.388  2.2841 85.495  2.3870 -4.106964      3.303788  
1 1 1 10 15 8  o 32.092  0.6854 377.668   16.123  389.172   23.412   367.291   22.236   32.566  0.9808 31.638  0.9589 0.9278774      1.371667  
1 1 1 10 15 9  o 31.693  0.6796 368.362   15.787  365.528   22.352   371.184   22.302   31.560  0.9663 31.804  0.9567 -0.2436523     1.359757  
1 1 1 10 15 10 o 25.940  0.6792 246.791   12.913  239.174   22.090   250.745   15.916   25.517  1.1811 26.142  0.8306 -0.6253376     1.443939  
1 1 1 10 15 11 o 46.809  1.0998 804.852   37.733  763.295   50.753   856.208   56.420   45.537  1.5206 48.218  1.5964 -2.681164      2.204715  
1 1 1 10 15 12 o 71.815  1.4250 1898.53   75.011  1888.41   105.677  1908.82   106.490  71.463  2.0175 71.847  2.0222 -0.3837280     2.856490  
1 1 1 10 15 13 o 42.772  0.8810 671.785   27.619  670.212   39.230   673.330   38.891   42.678  1.2541 42.779  1.2403 -0.1010513     1.763851  
1 1 1 10 15 14 o 39.979  0.8341 586.928   24.442  582.409   34.295   591.593   34.845   39.786  1.1761 40.097  1.1856 -0.3111687     1.669973  
1 1 1 10 15 15 o 25.578  0.6018 240.043   11.282  226.820   15.447   255.159   16.515   24.849  0.8481 26.356  0.8549 -1.506186      1.204248  
1 1 1 10 15 16 o 41.736  0.9254 640.299   28.308  633.489   37.292   649.559   43.485   41.466  1.2270 41.952  1.4142 -0.4861526     1.872303  
1 1 1 10 15 17 o 31.948  0.8972 375.186   21.011  391.034   35.472   366.621   26.078   32.532  1.4876 31.554  1.1275 0.9770985      1.866648  
1 1 1 10 15 18 o 21.967  0.5656 177.075   9.1064  170.615   14.835   180.980   11.536   21.539  0.9397 22.200  0.7089 -0.6613178     1.177107  
1 1 1 10 15 19 o 17.591  0.5982 113.574   7.7130  125.780   12.289   105.639   9.9075   18.494  0.9066 16.955  0.7972 1.538593       1.207238  
1 1 1 10 15 20 o 7.6279  0.7389 21.577    4.0795  14.668    6.4559   26.170    5.2635   6.1739  1.4512 8.3912  0.8684 -2.217288      1.691123  
1 1 1 10 15 21 o 13.185  0.5793 63.820    5.5983  67.592    9.4754   61.798    6.9390   13.514  0.9629 12.946  0.7343 0.5672903      1.210956  
1 1 1 10 15 22 o 19.116  0.5622 134.196   7.8768  123.124   12.516   141.457   10.136   18.254  0.9387 19.615  0.7050 -1.361406      1.173923  
1 1 1 10 15 23 o 5.5844  1.4579 12.031    6.0318  31.382    12.264   5.8563    6.9276   8.9713  1.9229 4.4209  1.6263 4.550346       2.518415  
1 1 1 10 15 24 o 34.910  0.8923 449.345   22.832  455.624   32.775   443.424   31.825   35.042  1.2761 34.576  1.2558 0.4656029      1.790332  
1 1 1 10 16 0  o 9.5847  0.7388 34.275    5.1195  36.480    9.8381   33.456    5.9952   9.6397  1.5008 9.4297  0.8853 0.000000       0.000000  
1 1 1 10 16 1  o 46.164  0.9907 781.962   33.520  779.359   44.321   785.441   51.237   46.065  1.3127 46.229  1.5121 -0.1631317     2.002402  
1 1 1 10 16 2  o 32.175  0.6813 379.620   16.066  361.792   19.646   415.617   27.916   31.405  0.8535 33.649  1.1319 -2.243336      1.417606  
1 1 1 10 16 3  o 26.015  0.5800 248.142   11.059  241.404   13.917   259.689   18.218   25.656  0.7401 26.604  0.9343 -0.9482689     1.191868  
1 1 1 10 16 4  o 45.010  0.9078 743.289   29.948  741.002   37.899   747.090   48.866   44.926  1.1509 45.084  1.4788 -0.1581650     1.873864  
1 1 1 10 16 5  o 67.468  1.3387 1672.40   66.201  1682.74   84.554   1656.01   106.416  67.623  1.7059 66.999  2.1670 0.6233826      2.757895  
1 1 1 10 16 6  o 76.910  1.5212 2175.33   85.756  2190.57   122.307  2160.59   120.272  77.042  2.1659 76.519  2.1445 0.5237503      3.047920  
1 1 1 10 16 7  o 44.649  0.9059 731.575   29.646  711.166   40.996   753.947   42.923   43.993  1.2714 45.295  1.2929 -1.301842      1.813268  
1 1 1 10 16 8  o 57.332  1.1429 1207.47   48.028  1221.58   68.686   1193.97   67.182   57.596  1.6270 56.944  1.6096 0.6517830      2.288703  
1 1 1 10 16 9  o 20.286  0.5153 150.895   7.6620  145.506   10.778   156.402   10.895   19.915  0.7384 20.648  0.7199 -0.7327785     1.031226  
1 1 1 10 16 10 o 14.496  0.5642 77.064    5.9942  85.115    11.248   73.870    7.0841   15.188  1.0162 14.190  0.6811 0.9981613      1.223364  
1 1 1 10 16 11 o 17.033  0.5427 106.404   6.7748  104.041   9.0354   109.437   10.239   16.837  0.7321 17.266  0.8091 -0.4284801     1.091160  
1 1 1 10 16 12 o 53.015  1.0667 1033.45   41.449  1006.09   57.304   1063.48   60.026   52.225  1.4970 53.687  1.5254 -1.461964      2.137282  
1 1 1 10 16 13 o 16.193  0.4998 96.177    5.9326  95.641    8.7265   96.637    8.0896   16.141  0.7376 16.227  0.6802 -0.8595085E-01 1.003348  
1 1 1 10 16 14 o 15.315  0.5020 86.038    5.6347  88.757    8.3323   83.747    7.6489   15.548  0.7312 15.104  0.6909 0.4436750      1.005980  
1 1 1 10 16 15 o 27.701  0.6341 281.639   12.874  259.941   17.322   308.419   19.244   26.593  0.8887 28.965  0.9064 -2.372007      1.269392  
1 1 1 10 16 16 o 37.931  0.8018 528.635   22.292  527.023   31.505   530.252   31.547   37.825  1.1364 37.941  1.1344 -0.1160507     1.605696  
1 1 1 10 16 17 o 26.971  0.7489 267.228   14.805  290.692   28.179   258.281   17.400   28.052  1.3705 26.502  0.8957 1.550076       1.637263  
1 1 1 10 16 18 o 54.104  1.2668 1080.54   50.237  1027.19   83.250   1111.10   63.001   52.390  2.1680 54.759  1.5697 -2.368877      2.676584  
1 1 1 10 16 19 o 53.655  1.0999 1061.40   43.257  963.964   65.102   1138.41   57.881   50.902  1.7449 55.455  1.4240 -4.553009      2.252249  
1 1 1 10 16 20 o 55.601  1.4454 1146.32   58.906  1112.65   91.511   1170.13   76.973   54.298  2.2994 55.953  1.8768 -1.655602      2.968122  
1 1 1 10 16 21 o 18.493  0.5590 125.593   7.5765  119.479   12.466   129.175   9.5410   17.977  0.9494 18.744  0.6945 -0.7671909     1.176325  
1 1 1 10 16 22 o 13.564  0.5671 67.593    5.6377  59.532    8.8832   73.030    7.2951   12.665  0.9642 14.072  0.7096 -1.407206      1.197178  
1 1 1 10 16 23 f 9.8649  0.6713 35.960    4.8249  33.911    7.7885   37.236    6.1463   9.5030  1.1410 10.016  0.8451 -0.5127134     1.419901  
1 1 1 10 17 0  o 26.816  0.8341 264.450   16.359  298.515   35.518   255.277   18.430   28.350  1.7239 26.330  0.9579 0.000000       0.000000  
1 1 1 10 17 1  o 49.486  0.9914 898.955   35.961  918.103   51.847   881.203   49.921   49.968  1.4156 48.956  1.3912 1.011635       1.984807  
1 1 1 10 17 2  o 31.834  0.6711 371.687   15.658  386.491   20.625   351.548   24.057   32.454  0.8671 30.942  1.0607 1.511724       1.370022  
1 1 1 10 17 3  f 46.901  0.9504 807.428   32.672  791.683   40.872   835.302   54.380   46.419  1.2013 47.639  1.5574 -1.220211      1.966864  
1 1 1 10 17 4  o 97.493  1.9231 3507.34   137.421 3720.91   183.961  3237.68   206.708  100.178 2.5054 93.200  3.0259 6.978142       3.928512  
1 1 1 10 17 5  o 35.826  0.7947 470.979   20.869  471.802   27.871   469.930   31.485   35.840  1.0610 35.758  1.2013 0.8238220E-01  1.602735  
1 1 1 10 17 6  o 45.048  0.9126 745.010   30.131  715.405   41.201   779.047   44.177   44.107  1.2745 46.023  1.3096 -1.915665      1.827389  
1 1 1 10 17 7  o 40.060  0.8256 589.066   24.241  579.638   33.900   598.932   34.678   39.708  1.1648 40.362  1.1722 -0.6546593     1.652492  
1 1 1 10 17 8  o 54.886  1.0971 1107.37   44.138  1104.00   62.361   1110.75   62.479   54.719  1.5549 54.886  1.5531 -0.1672249     2.197641  
1 1 1 10 17 9  o 51.022  1.0277 956.857   38.432  923.861   52.665   994.443   56.209   50.064  1.4352 51.933  1.4767 -1.868492      2.059221  
1 1 1 10 17 10 o 58.378  1.6519 1259.46   70.684  1235.39   137.840  1268.06   82.334   57.016  3.3126 58.491  1.9205 -1.474686      3.829069  
1 1 1 10 17 11 f 32.835  0.7076 395.772   17.030  390.065   24.016   401.545   24.153   32.571  1.0060 33.047  0.9971 -0.4767914     1.416454  
1 1 1 10 17 12 o 44.126  0.9027 715.696   29.195  716.346   41.482   715.058   41.098   44.080  1.2839 44.043  1.2731 0.3746414E-01  1.808091  
1 1 1 10 17 13 o 23.014  0.5617 194.350   9.4755  191.710   13.502   196.912   13.301   22.842  0.8064 23.152  0.7839 -0.3094826     1.124619  
1 1 1 10 17 14 o 40.904  0.8487 615.001   25.445  598.421   35.226   633.090   36.795   40.291  1.1928 41.438  1.2115 -1.146873      1.700140  
1 1 1 10 17 15 o 13.555  0.5161 67.413    5.1278  58.727    7.2527   76.096    7.2508   12.617  0.7882 14.395  0.6872 -1.777586      1.045717  
1 1 1 10 17 16 o 25.895  0.6118 246.169   11.613  237.135   16.159   255.819   16.701   25.393  0.8682 26.375  0.8639 -0.9818306     1.224765  
1 1 1 10 17 17 o 48.564  1.2697 871.093   45.194  906.014   60.649   827.488   67.771   49.386  1.6755 47.079  1.9640 2.306847       2.581547  
1 1 1 10 17 18 o 12.073  0.8002 53.834    7.0411  47.850    10.819   58.231    9.2739   11.297  1.3322 12.530  1.0186 -1.232716      1.677044  
1 1 1 10 17 19 o 43.397  0.9052 693.661   28.793  725.384   49.338   677.277   35.456   44.177  1.5237 42.822  1.1297 1.354828       1.896802  
1 1 1 10 17 20 o 36.017  0.7798 477.499   20.585  510.991   35.921   461.120   25.119   37.108  1.3207 35.352  0.9694 1.755692       1.638293  
1 1 1 10 17 21 f 17.586  0.5569 113.620   7.1779  108.569   11.771   116.610   9.0567   17.125  0.9414 17.803  0.6940 -0.6780663     1.169561  
1 1 1 10 17 22 o 43.080  0.9056 684.972   28.594  690.288   47.350   681.920   35.874   42.981  1.5030 42.895  1.1410 0.8631134E-01  1.887066  
1 1 1 10 18 0  o 37.688  1.1074 522.645   30.529  439.254   51.493   567.846   37.911   34.350  2.0623 39.256  1.3210 0.000000       0.000000  
1 1 1 10 18 1  o 43.822  0.8875 705.106   28.507  696.896   40.013   713.568   40.623   43.524  1.2542 44.041  1.2584 -0.5169830     1.776736  
1 1 1 10 18 2  o 32.021  0.6803 376.190   15.966  386.481   23.327   367.122   21.898   32.436  0.9812 31.616  0.9450 0.8200684      1.362256  
1 1 1 10 18 3  o 25.594  0.5729 240.272   10.747  236.421   13.610   246.650   17.513   25.382  0.7316 25.915  0.9220 -0.5329132     1.177016  
1 1 1 10 18 4  o 56.404  1.1256 1169.83   46.532  1166.92   58.939   1174.64   75.817   56.276  1.4289 56.364  1.8352 -0.8760071E-01 2.325873  
1 1 1 10 18 5  o 47.829  0.9643 840.542   33.805  828.056   47.369   853.501   48.258   47.411  1.3631 48.133  1.3679 -0.7220535     1.931121  
1 1 1 10 18 6  o 8.6210  0.5599 27.378    3.5190  31.144    5.4206   24.635    4.6265   9.1734  0.8147 8.1538  0.7838 1.019549       1.130479  
1 1 1 10 18 7  o 46.527  0.9426 795.615   32.145  793.619   45.458   797.610   45.461   46.402  1.3366 46.520  1.3333 -0.1171875     1.887866  
1 1 1 10 18 8  o 10.402  0.5685 39.817    4.3179  32.587    6.8236   44.645    5.5764   9.3593  1.0107 11.006  0.6948 -1.647052      1.226523  
1 1 1 10 18 9  o 11.738  0.6096 50.700    5.2264  55.400    7.8828   47.013    6.9816   12.246  0.8841 11.280  0.8507 0.9665518      1.226941  
1 1 1 10 18 10 o 38.605  1.0115 548.350   28.621  527.787   43.169   564.479   38.231   37.771  1.5593 39.111  1.3336 -1.340103      2.051831  
1 1 1 10 18 11 o 31.418  0.6819 362.449   15.702  376.233   22.973   350.364   21.510   31.976  0.9802 30.861  0.9509 1.115265       1.365678  
1 1 1 10 18 12 o 15.920  0.5016 92.980    5.8528  95.808    8.4414   90.361    8.1219   16.151  0.7131 15.685  0.7065 0.4655714      1.003774  
1 1 1 10 18 13 o 25.299  0.7761 235.193   14.390  258.857   20.010   209.842   20.710   26.513  1.0297 23.853  1.1846 2.660213       1.569525  
1 1 1 10 18 14 o 21.147  0.5428 164.122   8.4129  165.386   12.152   162.958   11.658   21.212  0.7816 21.058  0.7553 0.1542416      1.086936  
1 1 1 10 18 15 o 17.259  0.5196 109.313   6.5727  103.948   9.4144   114.415   9.1805   16.817  0.7638 17.647  0.7098 -0.8299541     1.042658  
1 1 1 10 18 16 o 53.799  1.0914 1067.47   43.039  1054.06   60.248   1081.44   61.503   53.292  1.5424 53.975  1.5546 -0.6823082     2.189947  
1 1 1 10 18 17 o 11.382  0.6717 47.771    5.5793  42.292    6.8144   58.911    9.7174   10.683  0.8781 12.593  1.0627 -1.910169      1.378549  
1 1 1 10 18 18 o 23.767  0.8602 208.061   14.985  172.949   29.167   220.652   17.466   21.391  1.8793 24.458  0.9743 -3.067091      2.116864  
1 1 1 10 18 19 o 9.5804  0.6348 33.891    4.4322  40.800    7.7722   30.561    5.3955   10.459  1.0271 9.0713  0.8204 1.387391       1.314532  
1 1 1 10 18 20 o 14.952  0.5568 82.157    6.1019  64.724    9.3940   94.881    8.0256   13.199  0.9780 16.058  0.6819 -2.858651      1.192231  
1 1 1 10 18 21 o 12.054  0.5934 53.424    5.2425  59.187    8.7154   50.156    6.5625   12.621  0.9491 11.641  0.7735 0.9798117      1.224367  
1 1 1 10 19 0  o 2.5482  1.4693 2.9654    4.4194  -8.6385   7.7509   8.5550    5.3795   1.9719  1.3860 4.0299  1.7555 0.000000       0.000000  
1 1 1 10 19 1  o 29.875  0.6406 327.553   14.028  316.408   19.360   339.872   20.355   29.342  0.9002 30.410  0.9132 -1.067282      1.282311  
1 1 1 10 19 2  o 9.7791  0.5129 35.175    3.6635  29.496    5.2739   40.471    5.0927   8.9240  0.8153 10.479  0.6665 -1.555383      1.053049  
1 1 1 10 19 3  o 42.871  0.8758 675.407   27.521  637.125   37.116   722.164   41.019   41.586  1.2177 44.265  1.2643 -2.679348      1.755299  
1 1 1 10 19 4  o 22.190  0.5297 180.645   8.6157  179.664   11.124   182.114   13.621   22.122  0.6860 22.263  0.8347 -0.1410961     1.080446  
1 1 1 10 19 5  o 12.856  0.4742 60.622    4.4686  63.692    6.8064   58.297    5.9243   13.152  0.7087 12.586  0.6443 0.5655823      0.9578208 
1 1 1 10 19 6  o 28.563  0.6305 299.446   13.200  306.472   19.328   293.305   18.071   28.872  0.9134 28.249  0.8728 0.6230831      1.263331  
1 1 1 10 19 7  o 30.315  0.6582 337.388   14.625  338.347   20.906   336.469   20.468   30.330  0.9404 30.247  0.9232 0.8233070E-01  1.317838  
1 1 1 10 19 8  o 18.793  0.7235 129.725   9.9658  134.245   12.183   120.581   17.325   19.107  0.8699 18.023  1.3207 1.084688       1.581490  
1 1 1 10 19 9  o 21.445  0.6796 168.898   10.682  176.968   17.769   164.331   13.367   21.885  1.1114 21.140  0.8627 0.7456646      1.406892  
1 1 1 10 19 10 o 9.0689  0.6549 30.358    4.3237  36.937    6.1084   23.752    6.1208   9.9876  0.8423 7.9577  1.0771 2.029895       1.367305  
1 1 1 10 19 11 o 27.453  0.6185 276.721   12.445  288.552   18.316   266.576   16.961   28.006  0.8923 26.922  0.8595 1.083830       1.238960  
1 1 1 10 19 12 o 11.963  0.4998 52.511    4.3822  49.505    6.3000   55.330    6.0996   11.582  0.7461 12.254  0.6818 -0.6716175     1.010701  
1 1 1 10 19 13 o 30.039  0.6607 331.470   14.546  320.541   20.140   343.388   21.031   29.506  0.9313 30.538  0.9396 -1.032173      1.322906  
1 1 1 10 19 14 o 36.700  0.7770 495.250   20.901  500.204   29.851   490.486   29.273   36.820  1.1061 36.463  1.0953 0.3570328      1.556661  
1 1 1 10 19 15 o 9.6696  0.5789 34.458    4.0842  29.412    5.8894   39.133    5.6688   8.8895  0.9171 10.288  0.7571 -1.398648      1.189187  
1 1 1 10 19 16 o 9.0764  0.6115 30.402    4.0443  30.746    6.1563   30.141    5.3642   9.0855  0.9380 9.0119  0.8211 0.7366467E-01  1.246591  
1 1 1 10 19 17 o 19.882  0.6307 145.312   9.1914  142.510   13.646   147.640   12.435   19.651  0.9474 20.016  0.8476 -0.3643780     1.271245  
1 1 1 10 19 18 o 16.879  0.7016 104.859   8.6801  109.122   12.085   100.317   12.475   17.160  0.9648 16.435  1.0410 0.7243576      1.419309  
1 1 1 10 19 19 o 11.823  0.5823 51.391    5.0458  55.803    8.6040   49.078    6.2295   12.248  0.9663 11.518  0.7418 0.7295990      1.218183  
1 1 1 10 19 20 o 22.549  0.5888 186.982   9.7312  202.158   17.087   179.696   11.839   23.372  0.9974 22.085  0.7313 1.287146       1.236804  
1 1 1 10 20 0  o 15.850  0.6783 92.669    7.8471  73.173    13.967   101.661   9.4858   13.893  1.4046 16.589  0.7841 0.000000       0.000000  
1 1 1 10 20 1  o 37.135  0.8245 506.902   22.443  505.940   34.368   507.618   29.633   37.023  1.2665 37.119  1.0892 -0.9575653E-01 1.670413  
1 1 1 10 20 2  o 28.459  0.8826 297.876   18.410  307.977   22.064   274.727   33.402   28.918  1.0409 27.154  1.6865 1.763563       1.981914  
1 1 1 10 20 3  o 14.194  0.5503 73.944    5.7253  80.007    7.5503   65.740    8.7821   14.759  0.6980 13.338  0.9037 1.420869       1.141818  
1 1 1 10 20 4  o 42.772  0.9333 673.230   29.258  672.598   44.966   673.694   38.530   42.630  1.4391 42.721  1.2305 -0.9089279E-01 1.893407  
1 1 1 10 20 5  o 5.6994  0.8072 12.178    3.2779  10.817    5.0019   13.202    4.3396   5.3066  1.2970 5.9004  1.0415 -0.5938711     1.663375  
1 1 1 10 20 6  o 18.046  0.4968 119.488   6.5715  110.198   9.1824   129.243   9.4088   17.318  0.7234 18.758  0.6843 -1.439461      0.9958061 
1 1 1 10 20 7  o 19.272  0.5088 136.295   7.1878  128.412   10.107   144.360   10.224   18.693  0.7377 19.822  0.7037 -1.129284      1.019483  
1 1 1 10 20 8  o 30.310  0.6578 337.429   14.613  344.899   21.211   330.681   20.160   30.607  0.9455 29.974  0.9176 0.6335449      1.317581  
1 1 1 10 20 9  o 35.619  0.9402 467.163   24.546  474.610   54.840   465.297   27.449   35.506  2.1169 35.527  1.0541 -0.2096939E-01 2.364805  
1 1 1 10 20 10 o 21.700  0.5393 172.855   8.5783  168.871   12.065   176.929   12.199   21.431  0.7681 21.937  0.7587 -0.5061932     1.079597  
1 1 1 10 20 11 o 33.963  0.7258 424.003   18.067  422.238   25.596   425.757   25.507   33.840  1.0320 33.982  1.0241 -0.1422997     1.453849  
1 1 1 10 20 12 o 36.151  0.7663 480.614   20.304  467.689   28.159   494.611   29.305   35.600  1.0792 36.608  1.0922 -1.007275      1.535379  
1 1 1 10 20 13 f 23.319  0.5687 199.692   9.7201  194.409   13.665   205.103   13.829   22.984  0.8112 23.609  0.7991 -0.6250973     1.138701  
1 1 1 10 20 14 o 25.194  0.5927 233.193   10.945  240.081   15.991   227.123   15.012   25.530  0.8545 24.836  0.8246 0.6942863      1.187541  
1 1 1 10 20 15 o 16.727  0.5126 102.748   6.2850  101.724   9.0818   103.690   8.7069   16.624  0.7453 16.788  0.7076 -0.1634388     1.027716  
1 1 1 10 20 16 o 13.966  0.5207 71.648    5.3297  75.733    8.0135   68.409    7.1370   14.318  0.7664 13.613  0.7178 0.7051744      1.050056  
1 1 1 10 20 17 o 9.9905  0.8031 37.042    5.8313  33.721    9.9333   38.789    7.2032   9.3819  1.4947 10.195  0.9759 -0.8133478     1.785030  
1 1 1 10 20 18 f 17.769  0.6648 116.250   8.6576  113.015   12.653   119.097   11.872   17.442  0.9938 17.927  0.9064 -0.4845695     1.345112  
1 1 1 10 20 19 o 18.660  0.5493 128.015   7.5128  133.799   11.344   123.496   10.027   19.041  0.8128 18.303  0.7474 0.7380238      1.104217  
1 1 1 10 21 0  o 13.646  0.6657 68.809    6.6217  82.863    13.291   64.168    7.6370   14.853  1.2407 13.149  0.7992 0.000000       0.000000  
1 1 1 10 21 1  o 7.0321  0.6497 18.319    3.3111  22.507    4.8436   14.644    4.5366   7.7734  0.8648 6.2220  1.0308 1.551410       1.345535  
1 1 1 10 21 2  o 19.556  0.5034 140.345   7.2147  140.467   10.382   140.230   10.033   19.549  0.7246 19.535  0.7007 0.1463699E-01  1.007966  
1 1 1 10 21 3  o 5.2310  0.8508 10.325    3.1501  13.475    4.8430   8.0157    4.1473   5.9421  1.1536 4.5778  1.2156 1.364332       1.675822  
1 1 1 10 21 4  o 55.429  1.1142 1133.80   45.267  1072.15   70.327   1177.41   59.148   53.610  1.7898 56.359  1.4318 -2.748814      2.292032  
1 1 1 10 21 5  o 11.616  0.5197 49.526    4.4248  50.552    8.5649   49.152    5.1679   11.667  1.0115 11.552  0.6125 0.1150751      1.182534  
1 1 1 10 21 6  o 20.222  0.6399 150.223   9.4849  158.918   22.335   148.310   10.477   20.640  1.4863 20.087  0.7116 0.5525150      1.647866  
1 1 1 10 21 7  o 27.826  0.7786 284.782   15.880  301.814   36.863   280.901   17.597   28.378  1.7813 27.623  0.8691 0.7544289      1.982035  
1 1 1 10 21 8  o 8.0473  0.8268 24.081    4.8073  36.527    8.9129   18.975    5.7090   9.8571  1.2627 7.0805  1.1386 2.776618       1.700249  
1 1 1 10 21 9  o 35.693  1.0593 470.208   27.712  459.831   53.543   474.005   32.388   34.880  2.1042 35.792  1.2346 -0.9124374     2.439640  
1 1 1 10 21 10 o 18.283  0.5591 122.747   7.4926  131.031   10.308   113.469   10.909   18.875  0.7451 17.555  0.8479 1.319704       1.128759  
1 1 1 10 21 11 o 14.172  0.5010 73.740    5.2042  71.898    7.4618   75.484    7.2619   13.961  0.7317 14.328  0.6915 -0.3662338     1.006772  
1 1 1 10 21 12 o 9.0114  0.6008 29.972    3.9458  26.313    5.6675   33.414    5.4967   8.3948  0.9371 9.4929  0.7974 -1.098058      1.230419  
1 1 1 10 21 13 o 11.300  0.5395 46.906    4.4682  45.795    6.6344   47.828    6.0447   11.118  0.8199 11.376  0.7288 -0.2581329     1.097006  
1 1 1 10 21 14 o 26.369  0.6145 255.712   11.876  248.476   16.665   263.180   16.929   25.946  0.8763 26.705  0.8649 -0.7591286     1.231227  
1 1 1 10 21 15 o 12.469  0.5262 57.140    4.8095  63.145    7.3453   52.634    6.3633   13.064  0.7705 11.929  0.7313 1.134765       1.062280  
1 1 1 10 21 16 o 7.9992  0.6874 23.743    3.9909  26.186    6.1458   21.963    5.2479   8.3439  1.0266 7.6449  0.9576 0.6989889      1.403843  
1 1 1 10 21 17 o 9.8288  0.7200 35.802    5.1506  31.754    7.4691   39.472    7.1121   9.1742  1.1350 10.282  0.9546 -1.107445      1.483072  
1 1 1 10 22 0  o 23.663  0.7932 206.326   13.723  239.799   29.547   197.120   15.496   25.324  1.6067 23.106  0.9183 0.000000       0.000000  
1 1 1 10 22 1  f 33.618  0.7124 415.566   17.555  394.100   23.798   441.193   26.002   32.687  0.9933 34.578  1.0260 -1.890446      1.428015  
1 1 1 10 22 2  o 37.760  0.7868 524.660   21.777  519.536   30.568   529.940   31.030   37.499  1.1122 37.871  1.1179 -0.3720016     1.576916  
1 1 1 10 22 3  o 14.579  0.4791 78.019    5.1199  83.944    7.7505   73.432    6.8198   15.110  0.6998 14.135  0.6583 0.9750795      0.9607666 
1 1 1 10 22 4  o 16.077  0.4944 94.879    5.8254  90.299    9.5225   97.618    7.3641   15.638  0.8338 16.300  0.6164 -0.6615248     1.036884  
1 1 1 10 22 5  o 32.907  0.7021 398.193   16.935  404.756   28.433   394.584   21.083   33.078  1.1728 32.727  0.8789 0.3514595      1.465554  
1 1 1 10 22 6  f 26.664  0.6030 261.206   11.784  267.467   20.045   257.899   14.567   26.919  1.0159 26.476  0.7507 0.4430027      1.263179  
1 1 1 10 22 7  o 18.246  0.5057 122.226   6.7631  121.047   9.8670   123.271   9.2881   18.138  0.7422 18.309  0.6921 -0.1705418     1.014826  
1 1 1 10 22 8  o 23.877  0.6119 209.528   10.710  209.234   14.648   209.865   15.698   23.831  0.8386 23.858  0.8977 -0.2675629E-01 1.228462  
1 1 1 10 22 9  o 31.869  0.8651 374.410   20.208  362.552   30.772   383.401   26.796   31.230  1.3443 32.180  1.1360 -0.9503784     1.760068  
1 1 1 10 22 10 o 7.4931  0.6548 20.807    3.5601  28.375    5.5706   15.581    4.6288   8.7270  0.8830 6.4157  1.0184 2.311299       1.347891  
1 1 1 10 22 11 o 17.564  0.5075 113.329   6.5333  108.840   9.2878   117.727   9.1918   17.190  0.7372 17.882  0.7013 -0.6923141     1.017465  
1 1 1 10 22 12 o 12.870  0.5330 60.882    5.0278  73.734    8.2136   53.181    6.3582   14.116  0.7971 11.992  0.7268 2.124207       1.078687  
1 1 1 10 22 13 f 32.938  0.7195 399.891   17.371  417.590   25.709   385.024   23.563   33.553  1.0454 32.235  0.9973 1.317490       1.444802  
1 1 1 10 22 14 o 6.2864  0.8269 14.845    3.7175  14.472    5.6303   15.134    4.9499   6.1122  1.2969 6.2903  1.1144 -0.1780782     1.709937  
1 1 1 10 22 15 o 24.931  0.6066 228.831   11.085  209.426   15.071   251.696   16.360   23.795  0.8641 26.088  0.8556 -2.293409      1.216031  
1 1 1 10 22 16 o 7.2943  0.7738 19.859    4.0738  19.298    6.8867   20.160    5.0527   7.0596  1.3804 7.3139  0.9662 -0.2543015     1.684930  
1 1 1 10 23 0  o 28.121  0.8820 291.569   18.139  306.389   37.005   286.882   20.811   28.571  1.7830 27.865  1.0221 0.000000       0.000000  
1 1 1 10 23 1  o 22.012  0.5345 177.983   8.6232  180.526   12.438   175.630   11.966   22.142  0.7664 21.842  0.7474 0.2997913      1.070505  
1 1 1 10 23 2  o 10.554  0.5143 40.906    3.9787  42.911    5.7846   39.106    5.4811   10.772  0.7371 10.282  0.7321 0.4902210      1.038860  
1 1 1 10 23 3  o 4.5816  0.9976 8.0540    3.2552  8.1721    5.6157   7.9943    3.9948   4.6969  1.4688 4.5599  1.1846 0.1369848      1.886974  
1 1 1 10 23 4  o 32.495  0.7447 388.786   17.736  383.010   27.189   393.064   23.400   32.148  1.1539 32.618  0.9788 -0.4700813     1.513085  
1 1 1 10 23 5  o 40.820  0.9022 614.978   26.995  611.175   41.441   617.781   35.579   40.497  1.3961 40.808  1.1895 -0.3112640     1.834155  
1 1 1 10 23 6  o 12.696  0.5223 59.218    4.8609  57.721    8.0852   60.066    6.0830   12.475  0.8901 12.761  0.6525 -0.2868080     1.103656  
1 1 1 10 23 7  o 7.6026  0.6849 21.447    3.7754  17.727    6.4534   23.382    4.6551   6.7829  1.3456 7.9220  0.8132 -1.139104      1.572215  
1 1 1 10 23 8  o 17.208  0.5566 108.870   7.0209  91.485    11.016   120.762   9.1111   15.697  0.9621 18.109  0.6864 -2.412150      1.181893  
1 1 1 10 23 9  o 13.792  0.6076 69.991    6.1422  68.783    9.3140   70.921    8.1707   13.603  0.9399 13.838  0.8091 -0.2357101     1.240197  
1 1 1 10 23 10 o 12.743  0.5091 59.691    4.7548  67.099    7.3833   54.442    6.2152   13.466  0.7510 12.133  0.7019 1.332761       1.027937  
1 1 1 10 23 11 f 17.102  0.5091 107.537   6.3813  108.724   9.3451   106.501   8.7347   17.166  0.7428 16.995  0.7012 0.1701164      1.021445  
1 1 1 10 23 12 o 3.9453  1.1280 5.9403    3.4256  -0.3760   5.2429   10.645    4.5251   3.0208  1.3024 5.2387  1.2038 -2.217844      1.773490  
1 1 1 10 23 13 o 14.152  0.5129 73.662    5.3202  67.323    7.6186   79.695    7.4325   13.477  0.7745 14.699  0.6898 -1.221950      1.037175  
1 1 1 10 23 14 o 16.744  0.5225 103.127   6.4123  102.928   9.3399   103.305   8.8192   16.694  0.7633 16.732  0.7191 -0.3783989E-01 1.048724  
1 1 1 10 24 0  o 4.1960  1.5721 8.7668    4.5123  13.409    8.7045   7.0608    5.2766   4.9759  2.2342 3.5945  1.7299 0.000000       0.000000  
1 1 1 10 24 1  o 9.3427  0.5320 32.192    3.6282  30.386    5.2694   33.819    5.0030   9.0385  0.8038 9.5524  0.7198 -0.5138435     1.079001  
1 1 1 10 24 2  o 5.1852  0.8658 10.197    3.1746  10.065    4.7997   10.300    4.2326   5.0960  1.2852 5.1648  1.1479 -0.6879282E-01 1.723194  
1 1 1 10 24 3  o 26.382  0.6437 256.295   12.447  242.116   18.556   267.895   16.783   25.560  0.9905 26.925  0.8504 -1.365704      1.305472  
1 1 1 10 24 4  o 14.134  0.5240 73.448    5.4287  65.974    8.3839   78.845    7.1239   13.332  0.8626 14.630  0.6644 -1.298028      1.088793  
1 1 1 10 24 5  o 2.2650  1.0142 -1.5128   3.4686  2.9754    5.9218   -3.8568   4.2796   3.7137  1.4686 2.2726  1.0577 1.441086       1.809894  
1 1 1 10 24 6  o 30.342  0.8513 340.485   18.933  332.982   24.539   351.521   29.761   29.907  1.1195 30.632  1.3255 -0.7253990     1.735005  
1 1 1 10 24 7  o 13.493  0.5708 67.010    5.6452  64.913    8.6483   68.566    7.4516   13.209  0.8986 13.608  0.7500 -0.3984051     1.170451  
1 1 1 10 24 8  o 6.4836  0.9026 15.866    4.1733  -3.2103   10.012   19.877    4.5911   3.8931  1.7346 7.2754  0.8788 -3.382332      1.944479  
1 1 1 10 24 9  f 1.7192  0.8534 -9.9217   4.1218  -12.0668  6.1572   -8.1797   5.5485   2.2417  1.0994 2.3114  1.1122 -0.6968331E-01 1.563864  
1 1 1 10 24 10 o 18.584  0.5316 127.102   7.2411  123.391   10.339   130.675   10.145   18.269  0.7721 18.808  0.7359 -0.5390511     1.066620  
1 1 1 10 24 11 o 15.731  0.5177 91.043    5.9688  100.844   9.1802   83.865    7.8559   16.519  0.7582 15.072  0.7111 1.447102       1.039523  
1 1 1 10 25 0  o 18.090  0.7199 120.959   9.5107  126.381   18.603   119.040   11.066   18.280  1.4076 17.916  0.8470 0.000000       0.000000  
1 1 1 10 25 1  o 24.946  0.5849 229.222   10.695  242.240   15.799   218.211   14.530   25.574  0.8429 24.281  0.8165 1.293657       1.173456  
1 1 1 10 25 2  o 27.656  0.6710 282.201   13.602  275.244   20.530   287.644   18.159   27.189  1.0302 27.851  0.8896 -0.6613026     1.361091  
1 1 1 10 25 3  o 16.117  0.6232 95.757    7.3617  87.934    9.7927   105.923   11.164   15.378  0.8724 16.873  0.9060 -1.495020      1.257775  
1 1 1 10 25 4  o 13.895  0.5879 71.138    5.9875  69.750    8.7901   72.339    8.1782   13.687  0.8809 13.958  0.8028 -0.2711449     1.191831  
1 1 1 10 25 5  o 13.844  0.5970 70.633    6.0583  62.029    8.4417   79.772    8.6996   12.898  0.8986 14.655  0.8131 -1.757692      1.211826  
1 1 1 10 25 6  o 14.286  0.6602 75.322    6.9129  70.812    9.0056   81.792    10.786   13.783  0.8963 14.788  1.0010 -1.004556      1.343644  
1 1 1 10 25 7  o 9.4090  0.7823 32.983    5.3464  30.746    7.0501   36.011    8.2018   9.0120  1.0894 9.7400  1.1724 -0.7279749     1.600447  
1 1 1 10 25 8  o 10.751  0.7860 43.000    6.1509  27.226    11.498   49.323    7.2801   8.2237  1.9391 11.500  0.8701 -3.276620      2.125395  
1 1 1 10 26 0  o 34.053  1.0415 430.187   25.939  375.564   45.314   456.810   31.635   31.296  1.9940 35.008  1.2364 0.000000       0.000000  
1 1 1 10 26 1  o 6.1204  0.8401 14.147    3.6693  18.239    5.8490   11.491    4.7119   6.8745  1.2047 5.4274  1.2148 1.447113       1.710837  
1 1 1 10 26 2  o 19.028  0.5957 133.516   8.3074  142.243   12.713   127.013   10.975   19.567  0.8865 18.511  0.8089 1.056026       1.200045  
1 1 1 10 26 3  o 7.4268  0.8927 20.777    4.7619  20.462    6.1261   21.258    7.5693   7.2960  1.1863 7.3640  1.4540 -0.6800127E-01 1.876539  
1 1 1 11 0  1  o 242.189 6.7254 21712.33  1191.78 21659.31  1680.11  21766.03  1690.80  240.675 9.5584 241.250 9.5964 0.000000       0.000000  
1 1 1 11 0  2  o 54.028  1.5213 1072.74   60.135  1123.72   88.790   1029.54   81.735   55.219  2.2017 52.855  2.1175 0.000000       0.000000  
1 1 1 11 0  3  o 32.114  0.9556 379.019   22.448  377.794   31.783   380.238   31.709   32.016  1.3600 32.121  1.3523 0.000000       0.000000  
1 1 1 11 0  4  o 69.597  1.9626 1780.64   99.938  2073.64   162.023  1600.71   126.968  74.987  2.9584 65.889  2.6387 0.000000       0.000000  
1 1 1 11 0  5  o 124.452 3.4540 5702.28   314.522 5427.81   423.423  6040.14   469.785  121.153 4.7852 127.776 5.0339 0.000000       0.000000  
1 1 1 11 0  6  o 8.1475  0.8412 25.100    4.9010  16.880    6.7174   34.456    7.1665   6.1839  1.7134 9.5223  1.0604 0.000000       0.000000  
1 1 1 11 0  7  o 85.622  2.3955 2696.15   150.073 3027.99   333.502  2611.90   168.049  90.240  5.0790 84.226  2.7286 0.000000       0.000000  
1 1 1 11 0  8  o 158.766 4.4302 9296.70   514.630 10299.76  1128.89  9033.56   578.207  165.378 9.3821 156.346 5.0576 0.000000       0.000000  
1 1 1 11 0  9  o 167.526 4.6398 10355.68  568.739 10231.50  1122.51  10398.57  659.680  164.801 9.3620 167.678 5.3801 0.000000       0.000000  
1 1 1 11 0  10 o 68.074  1.9068 1703.61   94.974  1576.19   175.651  1756.26   112.900  65.172  3.7045 69.080  2.2351 0.000000       0.000000  
1 1 1 11 0  11 o 15.954  0.8237 94.036    9.5737  74.887    13.781   111.895   13.309   14.098  1.3630 17.376  1.0539 0.000000       0.000000  
1 1 1 11 0  12 o 16.708  1.9282 106.415   22.796  0.0000    0.0000   106.415   22.796   16.708  1.9282 16.708  1.9282 0.000000       0.000000  
1 1 1 11 0  13 o 41.725  1.7460 641.866   53.184  0.0000    0.0000   641.866   53.184   41.725  1.7460 41.725  1.7460 0.000000       0.000000  
1 1 1 11 0  14 o 231.079 6.4649 19839.04  1093.03 17569.21  1933.38  20905.33  1325.13  213.458 12.454 236.578 7.6601 0.000000       0.000000  
1 1 1 11 0  15 o 57.694  1.6607 1223.96   70.095  1304.20   145.703  1199.80   79.955   59.264  3.3794 57.089  1.9157 0.000000       0.000000  
1 1 1 11 0  16 o 177.807 4.9696 11720.68  646.523 12304.91  1349.77  11546.73  736.508  178.830 10.378 176.153 5.7180 0.000000       0.000000  
1 1 1 11 0  17 o 94.600  2.6727 3297.82   184.989 2824.70   314.127  3549.01   228.887  86.907  4.9685 98.033  3.1931 0.000000       0.000000  
1 1 1 11 0  18 o 31.530  0.9893 365.612   22.813  336.103   40.737   379.094   27.536   30.084  1.8638 32.086  1.1744 0.000000       0.000000  
1 1 1 11 0  19 o 8.9685  0.9635 30.503    6.1489  34.699    7.9662   24.318    9.6716   9.5082  1.1942 7.4157  2.0571 0.000000       0.000000  
1 1 1 11 0  20 f 48.920  1.4289 880.858   51.137  886.396   72.377   875.338   72.260   48.968  2.0244 48.658  2.0342 0.000000       0.000000  
1 1 1 11 0  21 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 11 0  22 o 28.553  0.9431 300.082   19.689  297.193   26.741   303.504   29.098   28.360  1.2925 28.643  1.3935 0.000000       0.000000  
1 1 1 11 0  23 o 27.984  0.9337 288.271   19.102  280.120   25.593   298.522   28.702   27.530  1.2746 28.404  1.3862 0.000000       0.000000  
1 1 1 11 0  24 o 30.556  0.9814 343.703   21.929  339.945   29.937   348.053   32.212   30.327  1.3529 30.671  1.4401 0.000000       0.000000  
1 1 1 11 0  25 o 9.4631  1.0547 34.078    7.0830  27.493    8.6048   47.917    12.474   8.2212  1.6025 11.065  1.6451 0.000000       0.000000  
1 1 1 11 0  26 o 12.798  0.8776 60.949    8.1432  66.833    10.751   53.030    12.472   13.351  1.1166 11.720  1.5229 0.000000       0.000000  
1 1 1 11 0  27 f 16.771  1.1530 104.848   14.019  109.045   17.567   97.487    23.264   17.033  1.4303 15.831  2.1099 0.000000       0.000000  
1 1 1 11 0  28 o 2.4878  1.5842 0.6014    6.3584  -2.0348   7.8490   5.6338    10.845   2.4740  1.6402 3.7527  2.2377 0.000000       0.000000  
1 1 1 11 1  0  f 14.599  0.6477 78.578    6.9003  69.468    9.3332   89.562    10.248   13.670  0.9417 15.553  0.9060 0.000000       0.000000  
1 1 1 11 1  1  f 133.072 2.6023 6504.92   253.816 6450.38   356.821  6560.79   361.116  132.359 3.6780 133.485 3.6909 -1.125748      5.210652  
1 1 1 11 1  2  f 105.732 2.0791 4103.20   161.122 4166.00   230.848  4043.54   224.987  106.456 2.9585 104.883 2.9267 1.572830       4.161523  
1 1 1 11 1  3  o 79.356  1.5741 2309.92   91.560  2601.80   144.606  2114.60   118.292  84.175  2.3438 75.899  2.1264 8.276054       3.164627  
1 1 1 11 1  4  o 29.555  0.6293 320.170   13.633  325.985   19.545   314.660   19.025   29.820  0.8942 29.298  0.8859 0.5225105      1.258769  
1 1 1 11 1  5  o 89.905  1.7602 2965.81   115.989 2892.58   159.980  3046.96   168.411  88.738  2.4597 91.070  2.5230 -2.331665      3.523564  
1 1 1 11 1  6  o 111.652 2.1832 4577.27   178.665 4457.87   220.336  4806.52   305.298  110.127 2.7297 114.220 3.6467 -4.093109      4.555152  
1 1 1 11 1  7  o 56.961  1.1347 1189.69   47.374  1183.28   66.532   1196.29   67.470   56.793  1.5983 57.103  1.6120 -0.3108711     2.270061  
1 1 1 11 1  8  o 171.957 3.3741 10887.82  425.259 10384.30  572.257  11508.82  635.519  167.576 4.6591 176.326 4.9173 -8.750427      6.774010  
1 1 1 11 1  9  o 112.632 2.2032 4658.77   181.884 4762.19   262.549  4563.34   252.209  113.754 3.1489 111.362 3.0899 2.391617       4.411715  
1 1 1 11 1  10 o 93.004  1.8455 3174.70   125.804 3248.36   180.083  3104.49   175.821  94.007  2.6136 91.902  2.6101 2.105026       3.693721  
1 1 1 11 1  11 o 115.677 2.2633 4915.16   191.898 4752.64   262.803  5100.80   280.864  113.626 3.1555 117.697 3.2557 -4.071472      4.534017  
1 1 1 11 1  12 o 37.651  1.6055 520.171   44.307  635.906   72.407   450.895   56.020   41.531  2.3887 34.967  2.1969 6.563290       3.245342  
1 1 1 11 1  13 o 19.808  0.6123 143.814   8.8896  130.600   12.482   157.415   12.663   18.874  0.9023 20.721  0.8338 -1.847841      1.228561  
1 1 1 11 1  14 o 73.338  1.5551 1973.74   83.594  1931.10   124.404  2008.84   112.875  72.480  2.3417 73.948  2.0825 -1.467743      3.133761  
1 1 1 11 1  15 o 22.352  0.5639 183.132   9.2386  175.857   12.707   191.290   13.456   21.901  0.7916 22.842  0.8037 -0.9407063     1.128069  
1 1 1 11 1  16 o 18.179  0.5352 121.140   7.1309  142.042   10.861   105.305   9.4536   19.683  0.7529 16.947  0.7611 2.735525       1.070517  
1 1 1 11 1  17 o 30.160  0.6814 333.495   15.062  335.804   21.280   331.176   21.323   30.258  0.9595 30.049  0.9681 0.2094440      1.363063  
1 1 1 11 1  18 f 51.996  1.0563 992.016   40.257  1055.33   60.062   940.375   54.245   53.593  1.5290 50.596  1.4627 2.997490       2.115986  
1 1 1 11 1  19 o 47.823  0.9780 839.265   34.283  886.133   50.857   800.230   46.413   49.104  1.4130 46.668  1.3569 2.435722       1.959012  
1 1 1 11 1  20 o 62.345  1.2543 1428.43   57.316  1365.08   77.854   1503.41   84.692   60.868  1.7451 63.864  1.8093 -2.996788      2.513714  
1 1 1 11 1  21 o 47.443  1.6112 829.311   56.026  813.157   95.057   837.910   69.353   46.651  2.7928 47.623  1.9869 -0.9714127     3.427457  
1 1 1 11 1  22 o 43.241  0.9018 686.614   28.583  660.228   38.988   717.274   42.028   42.362  1.2557 44.149  1.2988 -1.786243      1.806530  
1 1 1 11 1  23 f 51.922  1.0598 990.926   40.334  975.881   56.211   1006.89   57.908   51.453  1.4905 52.259  1.5118 -0.8068237     2.122986  
1 1 1 11 1  24 o 7.9544  0.8023 23.466    4.6139  30.629    6.6913   16.973    6.3707   9.0711  1.0243 6.6693  1.3496 2.401834       1.694299  
1 1 1 11 1  25 o 48.616  1.0021 868.975   35.710  877.464   50.931   860.766   50.083   48.774  1.4247 48.310  1.4144 0.4640656      2.007553  
1 1 1 11 1  26 f 43.877  0.9213 707.805   29.629  705.597   41.789   710.036   42.014   43.738  1.3035 43.875  1.3064 -0.1367073     1.845541  
1 1 1 11 1  27 o 8.9722  1.4750 30.562    9.3630  35.872    10.993   16.534    17.868   9.7121  1.6000 7.2115  2.6181 2.500661       3.068267  
1 1 1 11 1  28 o 36.674  0.8075 494.632   21.706  495.818   30.834   493.467   30.561   36.652  1.1478 36.567  1.1402 0.8532333E-01  1.617876  
1 1 1 11 2  0  o 65.897  1.8417 1596.10   88.799  1572.60   123.779  1621.02   127.465  65.314  2.5949 66.311  2.6320 0.000000       0.000000  
1 1 1 11 2  1  o 99.595  1.9687 3640.20   143.714 3958.20   220.840  3406.60   189.277  103.771 2.9035 96.290  2.6818 7.480698       3.952541  
1 1 1 11 2  2  o 41.362  0.8402 627.127   25.470  585.010   33.711   683.151   38.881   39.944  1.1514 43.163  1.2290 -3.219254      1.684087  
1 1 1 11 2  3  o 18.847  0.5131 130.189   7.0881  124.482   8.9970   139.527   11.509   18.429  0.6661 19.510  0.8048 -1.081160      1.044699  
1 1 1 11 2  4  o 206.244 4.0685 15687.15  615.038 15331.06  853.060  16072.62  887.556  203.267 5.7258 208.082 5.8194 -4.815643      8.163939  
1 1 1 11 2  5  o 26.957  0.5939 266.355   11.734  267.991   16.733   264.772   16.459   27.038  0.8443 26.875  0.8356 0.1628380      1.187866  
1 1 1 11 2  6  o 56.226  1.1233 1159.17   46.291  1209.37   61.011   1091.06   71.065   57.421  1.4496 54.528  1.7781 2.892628       2.294120  
1 1 1 11 2  7  o 199.769 3.9306 14718.72  575.529 14083.09  776.602  15493.13  857.193  194.843 5.4379 204.230 5.7263 -9.387207      7.896955  
1 1 1 11 2  8  o 124.972 2.4418 5738.06   223.664 5716.98   315.176  5759.45   317.454  124.587 3.4514 125.047 3.4636 -0.4596558     4.889671  
1 1 1 11 2  9  o 36.968  0.7719 500.984   20.915  485.314   28.625   518.928   30.632   36.381  1.0735 37.619  1.1109 -1.238194      1.544821  
1 1 1 11 2  10 o 192.882 3.7928 13720.67  536.211 13425.10  743.194  14041.59  774.403  190.210 5.3307 194.482 5.4326 -4.271912      7.611173  
1 1 1 11 2  11 o 85.374  1.9394 2675.77   121.362 2838.38   223.213  2607.53   144.603  87.765  3.4699 84.246  2.3418 3.519630       4.186182  
1 1 1 11 2  12 o 70.890  1.9809 1845.23   102.930 1829.09   117.724  1897.64   212.081  70.558  2.2763 71.560  4.0601 -1.002335      4.654718  
1 1 1 11 2  13 o 131.983 3.0037 6414.13   290.572 6780.49   434.395  6117.46   390.900  135.342 4.3789 128.621 4.1464 6.721313       6.030581  
1 1 1 11 2  14 o 78.346  1.5537 2252.57   89.220  2388.62   132.834  2140.75   120.427  80.618  2.2480 76.329  2.1525 4.288490       3.112388  
1 1 1 11 2  15 o 31.759  0.6970 369.753   16.225  361.902   22.616   378.080   23.290   31.415  0.9822 32.109  0.9896 -0.6943512     1.394297  
1 1 1 11 2  16 o 50.267  1.0171 926.781   37.473  919.851   52.706   933.865   53.289   50.059  1.4365 50.439  1.4414 -0.3796082     2.034986  
1 1 1 11 2  17 o 113.851 2.2479 4772.10   187.585 4458.86   248.527  5186.82   285.965  109.829 3.0873 118.385 3.2956 -8.555954      4.515777  
1 1 1 11 2  18 o 61.289  1.2319 1379.00   55.338  1502.92   97.712   1320.48   67.144   63.881  2.0869 59.947  1.5281 3.934296       2.586533  
1 1 1 11 2  19 o 21.679  0.5674 172.310   9.0161  193.299   15.979   162.506   10.921   22.951  0.9498 21.050  0.7078 1.901232       1.184566  
1 1 1 11 2  20 o 64.459  1.2919 1527.35   61.035  1529.80   86.390   1524.90   86.244   64.413  1.8298 64.309  1.8297 0.1031418      2.587666  
1 1 1 11 2  21 o 81.385  2.2923 2454.33   136.740 2483.22   195.486  2426.65   191.338  81.398  3.2766 80.484  3.2435 0.9146500      4.610451  
1 1 1 11 2  22 o 50.757  1.0368 946.670   38.573  961.043   55.307   933.058   53.824   51.070  1.4775 50.325  1.4592 0.7457047      2.076620  
1 1 1 11 2  23 o 65.464  1.3142 1577.83   63.057  1636.23   92.352   1526.83   86.307   66.500  1.8947 64.258  1.8325 2.241798       2.635891  
1 1 1 11 2  24 o 25.379  0.6254 236.321   11.633  227.767   16.029   245.843   16.911   24.902  0.8782 25.870  0.8918 -0.9683800     1.251643  
1 1 1 11 2  25 o 34.774  0.7700 444.006   19.626  426.894   27.036   463.066   28.534   34.065  1.0828 35.477  1.0973 -1.412071      1.541635  
1 1 1 11 2  26 o 9.4198  0.7646 32.806    5.2334  34.791    7.2896   30.694    7.5181   9.6671  1.0454 9.0554  1.1593 0.6117496      1.561077  
1 1 1 11 2  27 o 19.613  1.3306 142.812   19.015  128.008   25.019   163.059   29.260   18.444  1.8768 20.822  1.9395 -2.377497      2.698921  
1 1 1 11 2  28 o 23.970  0.6377 211.031   11.204  198.219   15.155   226.475   16.639   23.207  0.8910 24.803  0.9153 -1.596060      1.277328  
1 1 1 11 3  0  o 6.7787  0.9677 17.843    4.5241  12.450    6.3175   23.520    6.4818   5.0435  1.8501 7.7288  1.2399 0.000000       0.000000  
1 1 1 11 3  1  o 159.755 3.3693 9392.39   394.521 9233.48   589.824  9521.04   530.720  157.974 5.0940 160.580 4.5091 -2.606171      6.802995  
1 1 1 11 3  2  o 69.991  1.3817 1796.59   70.882  1799.36   100.647  1793.86   99.841   70.020  1.9611 69.913  1.9484 0.1064301      2.764426  
1 1 1 11 3  3  o 125.866 2.4842 5819.65   229.183 5864.23   326.418  5776.31   321.857  126.196 3.5290 125.250 3.5059 0.9456177      4.974461  
1 1 1 11 3  4  o 115.983 2.2764 4940.03   193.524 4668.61   259.674  5279.10   290.237  112.648 3.1450 119.762 3.3064 -7.114456      4.563268  
1 1 1 11 3  5  o 232.566 4.5908 19990.22  782.552 18798.13  1041.38  21536.60  1186.07  224.676 6.3237 240.229 6.7361 -15.55243      9.239239  
1 1 1 11 3  6  o 84.459  1.6589 2617.15   102.695 2629.21   130.732  2597.72   165.954  84.624  2.1077 84.067  2.6933 0.5566330      3.419963  
1 1 1 11 3  7  o 64.694  1.2805 1534.88   60.719  1470.30   82.488   1611.24   89.703   63.298  1.7780 66.259  1.8471 -2.960800      2.563745  
1 1 1 11 3  8  o 75.354  1.4873 2082.91   82.148  2072.64   115.992  2093.25   116.358  75.132  2.1063 75.505  2.1025 -0.3727798     2.976095  
1 1 1 11 3  9  o 149.441 2.9346 8215.28   321.440 8284.25   457.728  8148.18   451.504  149.781 4.1694 148.552 4.1467 1.229080       5.880374  
1 1 1 11 3  10 o 132.113 2.6087 6416.01   252.607 6832.55   376.415  6074.71   340.726  136.109 3.7731 128.371 3.6213 7.738052       5.229706  
1 1 1 11 3  11 f 30.601  0.7713 343.286   17.300  356.999   31.142   337.166   20.805   31.198  1.3619 30.325  0.9360 0.8720531      1.652536  
1 1 1 11 3  12 o 155.417 4.9896 8962.27   568.391 8841.78   686.614  9224.64   1013.18  153.908 6.0865 155.359 8.9352 -1.450272      10.81123  
1 1 1 11 3  13 o 84.433  1.9303 2617.84   119.457 2561.27   165.970  2678.64   172.071  83.435  2.7140 85.320  2.7515 -1.885681      3.864768  
1 1 1 11 3  14 f 75.673  1.5064 2101.39   83.553  2139.14   120.168  2066.05   116.252  76.297  2.1488 74.985  2.1152 1.311516       3.015187  
1 1 1 11 3  15 o 37.325  0.7910 510.788   21.640  547.053   32.375   481.501   29.094   38.619  1.1438 36.232  1.0955 2.386242       1.583789  
1 1 1 11 3  16 o 35.039  0.7494 450.134   19.245  450.112   27.312   450.156   27.122   35.030  1.0638 35.032  1.0563 -0.1964569E-02 1.499110  
1 1 1 11 3  17 o 38.270  0.8058 537.073   22.602  498.472   29.926   588.327   34.483   36.859  1.1077 40.040  1.1750 -3.181595      1.614807  
1 1 1 11 3  18 o 25.589  0.6175 240.074   11.581  252.062   19.952   233.984   14.221   26.209  1.0386 25.259  0.7681 0.9499931      1.291824  
1 1 1 11 3  19 o 19.171  0.6069 134.760   8.5280  129.382   12.717   139.156   11.496   18.777  0.9240 19.477  0.8053 -0.6993523     1.225664  
1 1 1 11 3  20 o 5.8529  1.1271 13.010    4.6597  13.716    6.7778   12.377    6.4166   5.9911  1.5362 5.6990  1.5114 0.2920747      2.155055  
1 1 1 11 3  21 o 33.809  0.8659 419.588   21.459  422.761   30.898   416.630   29.824   33.907  1.2433 33.663  1.2087 0.2436447      1.733999  
1 1 1 11 3  22 o 57.465  1.3436 1215.76   56.594  1206.22   79.624   1225.49   80.455   57.109  1.9022 57.562  1.9069 -0.4532089     2.693469  
1 1 1 11 3  23 o 26.449  0.8243 256.847   15.979  243.785   25.363   265.444   20.577   25.692  1.3516 26.873  1.0447 -1.180553      1.708279  
1 1 1 11 3  24 o 18.413  0.5813 124.371   7.8448  140.410   11.697   111.260   10.576   19.554  0.8161 17.406  0.8289 2.148241       1.163289  
1 1 1 11 3  25 o 35.319  0.7764 458.072   20.100  459.294   28.536   456.870   28.315   35.329  1.1020 35.237  1.0963 0.9264755E-01  1.554461  
1 1 1 11 3  26 o 34.245  0.7652 430.808   19.206  401.812   25.745   467.200   28.842   33.036  1.0632 35.617  1.1048 -2.580292      1.533316  
1 1 1 11 3  27 o 12.750  0.6663 59.868    6.2050  59.203    8.8993   60.498    8.6561   12.644  0.9676 12.788  0.9299 -0.1432695     1.341982  
1 1 1 11 3  28 o 7.7021  1.1002 22.318    6.0347  17.077    9.5048   25.858    7.8111   6.6682  1.8694 8.2575  1.3362 -1.589334      2.297836  
1 1 1 11 4  0  o 79.027  2.2054 2296.28   127.518 2198.88   172.773  2412.83   188.992  77.208  3.0640 80.872  3.1997 0.000000       0.000000  
1 1 1 11 4  1  o 125.219 2.4518 5759.79   225.025 5565.47   306.874  5985.82   330.954  122.955 3.4051 127.490 3.5417 -4.535271      4.913097  
1 1 1 11 4  2  o 56.061  1.1251 1152.36   46.230  1132.82   64.489   1173.01   66.307   55.570  1.5833 56.546  1.5998 -0.9763527     2.250856  
1 1 1 11 4  3  o 143.310 2.8167 7550.67   295.864 7530.41   420.116  7570.60   416.734  142.884 4.0115 143.274 3.9684 -0.3905792     5.642684  
1 1 1 11 4  4  o 86.555  1.6992 2748.85   107.799 2735.97   151.606  2762.01   153.310  86.302  2.3967 86.711  2.4122 -0.4084167     3.400450  
1 1 1 11 4  5  f 97.944  1.9271 3521.09   138.345 3294.41   182.671  3825.99   211.855  94.676  2.6324 102.006 2.8336 -7.329742      3.867614  
1 1 1 11 4  6  o 113.158 2.2203 4702.47   184.150 4788.35   237.394  4572.72   291.800  114.111 2.8383 111.401 3.5737 2.709877       4.563685  
1 1 1 11 4  7  o 149.337 2.9251 8203.19   320.181 7735.73   426.660  8805.81   484.429  144.784 4.0205 154.402 4.2805 -9.618423      5.872594  
1 1 1 11 4  8  o 44.242  0.9020 717.604   29.249  670.435   38.909   778.891   44.351   42.757  1.2415 46.084  1.3130 -3.326954      1.807057  
1 1 1 11 4  9  o 155.936 3.0621 8948.78   349.984 10010.21  550.511  8228.77   453.406  164.503 4.5657 149.271 4.1441 15.23238       6.165993  
1 1 1 11 4  10 f 35.077  0.7410 451.030   19.051  460.936   27.481   441.865   26.433   35.456  1.0575 34.715  1.0389 0.7409210      1.482378  
1 1 1 11 4  11 o 44.808  1.0558 736.190   34.675  676.217   55.623   774.311   44.346   42.923  1.7680 45.946  1.3168 -3.023323      2.204499  
1 1 1 11 4  12 o 73.560  1.8417 1986.55   99.298  1933.43   124.752  2078.41   164.035  72.529  2.3467 75.133  2.9787 -2.604210      3.792022  
1 1 1 11 4  13 o 71.121  1.7868 1857.06   93.145  1802.95   116.762  1951.74   154.464  70.039  2.2745 72.807  2.8945 -2.767838      3.681225  
1 1 1 11 4  14 o 62.737  1.2574 1443.85   57.820  1512.85   85.132   1384.78   78.777   64.185  1.8096 61.412  1.7501 2.772953       2.517451  
1 1 1 11 4  15 o 29.315  0.6596 315.042   14.174  316.588   20.067   313.503   20.022   29.382  0.9318 29.239  0.9342 0.1435871      1.319495  
1 1 1 11 4  16 o 11.179  0.5653 45.926    4.6165  50.586    6.7074   41.733    6.3636   11.719  0.7854 10.636  0.8227 1.082951       1.137386  
1 1 1 11 4  17 o 26.336  0.6192 254.289   11.952  258.124   16.971   250.515   16.835   26.529  0.8728 26.135  0.8788 0.3940430      1.238578  
1 1 1 11 4  18 o 14.088  0.7149 72.969    7.3582  76.544    12.827   71.216    8.9833   14.386  1.2283 13.905  0.8860 0.4811363      1.514487  
1 1 1 11 4  19 o 71.553  1.5254 1883.36   79.999  1812.60   117.855  1943.83   108.942  70.029  2.2961 72.583  2.0478 -2.553581      3.076584  
1 1 1 11 4  20 o 35.202  0.8844 454.840   22.819  451.656   39.251   456.465   28.046   35.024  1.5290 35.251  1.0855 -0.2266846     1.875131  
1 1 1 11 4  21 o 34.818  0.7573 444.879   19.327  457.624   27.899   433.118   26.799   35.289  1.0786 34.333  1.0649 0.9567070      1.515758  
1 1 1 11 4  22 o 10.150  0.7854 38.042    5.7975  26.938    8.6335   47.161    7.8240   8.4333  1.4489 11.291  0.9544 -2.857332      1.735002  
1 1 1 11 4  23 o 35.395  0.7719 459.901   20.026  467.827   28.645   452.323   28.008   35.668  1.0957 35.073  1.0895 0.5953407      1.545176  
1 1 1 11 4  24 f 23.144  0.6068 196.518   10.293  201.363   14.762   191.935   14.359   23.414  0.8602 22.859  0.8570 0.5545292      1.214223  
1 1 1 11 4  25 o 41.371  0.8739 628.927   26.501  638.095   37.931   620.185   37.040   41.615  1.2436 41.029  1.2317 0.5860939      1.750279  
1 1 1 11 4  26 o 59.341  1.2036 1298.52   52.348  1347.49   76.555   1255.51   71.742   60.250  1.7336 58.178  1.6824 2.071178       2.415724  
1 1 1 11 4  27 o 6.5936  0.9998 16.371    4.6802  21.852    6.6530   11.001    6.5852   7.5966  1.2375 5.3929  1.5705 2.203758       1.999423  
1 1 1 11 4  28 o 8.2459  1.0075 25.426    5.9626  25.372    9.2860   25.464    7.7778   8.1236  1.6164 8.1912  1.3420 -0.6759262E-01 2.100862  
1 1 1 11 5  0  o 16.778  0.7541 103.797   9.2308  121.969   17.436   96.722    10.881   18.094  1.3313 16.165  0.9252 0.000000       0.000000  
1 1 1 11 5  1  o 45.973  0.9282 774.835   31.277  819.370   46.816   738.933   42.033   47.266  1.3513 44.888  1.2776 2.378178       1.859632  
1 1 1 11 5  2  o 218.962 4.2928 17705.12  688.961 18490.96  1013.03  17028.82  939.768  222.851 6.2019 213.970 5.9922 8.880341       8.623821  
1 1 1 11 5  3  o 149.697 2.9249 8241.90   320.923 7872.32   433.417  8690.45   477.484  146.064 4.0484 153.413 4.2463 -7.349945      5.866939  
1 1 1 11 5  4  o 37.481  0.7705 514.968   21.168  510.828   29.715   519.234   30.161   37.325  1.0862 37.631  1.0935 -0.3057213     1.541260  
1 1 1 11 5  5  o 12.814  0.4755 60.184    4.4660  62.517    5.9521   57.179    6.7555   13.060  0.6218 12.467  0.7426 0.5926266      0.9685899 
1 1 1 11 5  6  o 146.788 2.8735 7924.85   309.155 7846.85   386.936  8062.55   514.099  145.910 3.6180 147.598 4.7521 -1.688095      5.972650  
1 1 1 11 5  7  o 61.245  1.2175 1375.57   54.653  1375.69   77.212   1375.45   77.371   61.228  1.7205 61.223  1.7242 0.5428314E-02  2.435758  
1 1 1 11 5  8  o 153.499 3.0143 8670.48   339.136 8781.10   483.636  8563.46   475.685  154.154 4.2804 152.236 4.2630 1.917282       6.041134  
1 1 1 11 5  9  f 64.120  1.2768 1507.87   60.007  1557.38   87.386   1463.68   82.547   65.138  1.8303 63.151  1.7834 1.987396       2.555480  
1 1 1 11 5  10 o 47.034  0.9531 811.091   32.858  796.704   45.688   826.503   47.289   46.605  1.3375 47.468  1.3592 -0.8629150     1.906892  
1 1 1 11 5  11 o 44.993  1.3108 742.557   43.230  592.045   68.856   840.481   55.540   40.068  2.3550 47.859  1.5833 -7.791023      2.837716  
1 1 1 11 5  12 o 105.161 2.0679 4062.34   159.391 3844.10   213.765  4335.62   239.197  102.190 2.8540 108.500 3.0078 -6.310043      4.146313  
1 1 1 11 5  13 o 150.736 4.2442 8414.73   468.914 8407.39   543.505  8436.08   927.416  150.396 4.9304 148.352 8.5655 2.043747       9.883126  
1 1 1 11 5  14 o 111.234 2.5433 4554.08   207.353 4913.11   316.603  4284.42   274.389  115.244 3.7481 107.689 3.4763 7.555573       5.112057  
1 1 1 11 5  15 o 111.618 2.1966 4583.33   179.711 4635.66   256.264  4532.69   252.087  112.036 3.1207 110.789 3.1044 1.246902       4.401783  
1 1 1 11 5  16 o 74.237  1.4704 2023.75   80.009  2137.15   119.147  1930.62   107.975  76.205  2.1331 72.443  2.0335 3.761932       2.947105  
1 1 1 11 5  17 o 61.925  1.2421 1407.78   56.376  1433.71   81.534   1384.03   78.037   62.436  1.7816 61.350  1.7354 1.085770       2.487146  
1 1 1 11 5  18 o 24.296  0.5948 216.438   10.593  209.661   16.925   220.801   13.582   23.903  0.9660 24.536  0.7552 -0.6330528     1.226207  
1 1 1 11 5  19 o 52.515  1.0775 1012.78   41.476  1087.67   71.712   975.131   50.843   54.322  1.8011 51.500  1.3469 2.822109       2.249009  
1 1 1 11 5  20 o 9.2607  0.9051 31.784    6.0648  32.490    9.9254   31.363    7.6615   9.2751  1.5121 9.1644  1.1671 0.1107779      1.910094  
1 1 1 11 5  21 o 40.764  0.8555 610.107   25.562  611.143   41.929   609.495   32.248   40.736  1.4043 40.722  1.0804 0.1419067E-01  1.771811  
1 1 1 11 5  22 o 27.697  0.7560 281.565   15.348  280.749   22.066   282.330   21.361   27.634  1.0894 27.714  1.0516 -0.8073616E-01 1.514158  
1 1 1 11 5  23 o 26.947  0.6465 266.442   12.769  265.642   17.970   267.259   18.147   26.890  0.9117 26.972  0.9180 -0.8127213E-01 1.293804  
1 1 1 11 5  24 o 75.270  1.5038 2091.19   82.963  2163.28   121.077  2027.39   113.907  76.265  2.1660 73.861  2.1040 2.403671       3.019675  
1 1 1 11 5  25 o 26.182  0.6397 251.593   12.275  270.088   18.212   236.197   16.617   27.105  0.9167 25.350  0.8943 1.755741       1.280681  
1 1 1 11 5  26 o 19.430  0.6672 138.633   9.5023  126.225   12.590   155.056   14.485   18.499  0.9315 20.526  0.9628 -2.026978      1.339658  
1 1 1 11 5  27 o 14.996  0.5883 82.560    6.4662  78.145    8.9914   87.290    9.3061   14.550  0.8467 15.383  0.8284 -0.8327961     1.184585  
1 1 1 11 5  28 o 9.0656  1.0340 30.685    6.7474  24.162    11.693   33.940    8.2615   7.8823  2.0160 9.5096  1.2129 -1.627285      2.352708  
1 1 1 11 6  0  o 56.232  1.8549 1163.47   76.262  1001.38   113.231  1298.05   103.172  51.966  2.9956 59.335  2.3810 0.000000       0.000000  
1 1 1 11 6  1  o 62.672  1.2362 1440.39   56.787  1440.64   80.429   1440.15   80.190   62.656  1.7513 62.646  1.7464 0.1051712E-01  2.473280  
1 1 1 11 6  2  o 61.166  1.2215 1371.99   54.763  1329.07   75.050   1420.88   80.087   60.183  1.7014 62.225  1.7560 -2.041351      2.445024  
1 1 1 11 6  3  o 37.798  0.7756 523.726   21.486  543.698   31.383   506.105   29.479   38.507  1.1119 37.152  1.0825 1.354546       1.551873  
1 1 1 11 6  4  o 102.374 2.0086 3847.75   150.717 3610.30   200.267  4157.88   228.878  99.087  2.7575 106.313 2.9372 -7.225258      4.028761  
1 1 1 11 6  5  o 167.644 3.5152 10356.89  431.931 10190.96  562.801  10594.70  673.744  165.961 4.6267 168.909 5.4420 -2.947739      7.142945  
1 1 1 11 6  6  o 64.772  1.2786 1538.69   60.701  1533.97   76.590   1546.68   99.542   64.658  1.6161 64.900  2.0926 -0.2414246     2.643975  
1 1 1 11 6  7  o 26.883  0.6363 264.909   12.538  274.003   17.175   254.531   18.347   27.339  0.8571 26.348  0.9500 0.9903259      1.279494  
1 1 1 11 6  8  o 68.496  1.7119 1721.78   85.946  1721.63   111.077  1722.00   135.670  68.461  2.2136 68.430  2.7049 0.3138733E-01  3.495247  
1 1 1 11 6  9  o 87.936  2.0005 2839.37   128.937 2718.09   175.163  2982.80   190.490  85.960  2.7801 90.035  2.8866 -4.075409      4.007662  
1 1 1 11 6  10 o 102.479 2.1512 3857.80   161.582 3915.45   250.357  3816.65   211.539  103.075 3.3138 101.842 2.8339 1.232635       4.360282  
1 1 1 11 6  11 o 38.637  1.0114 547.397   28.642  538.805   44.254   553.591   37.574   38.317  1.5757 38.847  1.3196 -0.5301018     2.055293  
1 1 1 11 6  12 o 26.930  0.6200 265.833   12.237  264.497   17.226   267.195   17.388   26.859  0.8750 26.996  0.8788 -0.1366043     1.240109  
1 1 1 11 6  13 o 102.238 2.5546 3846.67   191.432 3945.91   253.214  3714.28   292.458  103.396 3.3412 100.166 3.9835 3.230110       5.199205  
1 1 1 11 6  14 o 50.963  1.0983 952.685   41.026  913.611   52.259   1015.44   66.229   49.892  1.4291 52.581  1.7185 -2.689419      2.235028  
1 1 1 11 6  15 o 60.325  1.2030 1335.33   53.190  1301.74   73.526   1372.21   77.042   59.526  1.6852 61.112  1.7200 -1.586880      2.407938  
1 1 1 11 6  16 o 68.451  1.3746 1720.44   68.965  1627.30   92.372   1837.75   103.665  66.515  1.8947 70.670  2.0013 -4.155487      2.755917  
1 1 1 11 6  17 o 57.710  1.1659 1222.64   49.318  1286.35   72.864   1168.79   66.997   59.140  1.6809 56.380  1.6213 2.760239       2.335380  
1 1 1 11 6  18 o 64.987  1.2991 1551.86   61.878  1599.34   103.940  1525.80   77.012   65.821  2.1545 64.389  1.6318 1.431198       2.702680  
1 1 1 11 6  19 o 55.580  1.1209 1134.91   45.663  1168.38   77.044   1116.79   56.695   56.271  1.8680 55.096  1.4039 1.175041       2.336727  
1 1 1 11 6  20 o 7.8776  0.8545 23.047    4.8549  27.680    7.2796   19.335    6.5156   8.5968  1.1869 7.1412  1.2924 1.455608       1.754730  
1 1 1 11 6  21 o 42.114  0.8849 651.334   27.314  669.638   45.693   641.158   34.071   42.626  1.4625 41.759  1.1132 0.8670006      1.837960  
1 1 1 11 6  22 o 53.543  1.3863 1056.31   54.404  1129.09   92.058   1017.25   67.442   55.105  2.2792 52.459  1.7540 2.646263       2.875998  
1 1 1 11 6  23 o 37.566  0.8066 518.213   22.208  490.444   29.885   552.461   33.189   36.512  1.1167 38.745  1.1687 -2.232758      1.616409  
1 1 1 11 6  24 o 9.7815  0.6824 35.290    4.8619  39.697    6.8902   30.919    6.8614   10.353  0.9175 9.1091  1.0467 1.243528       1.391914  
1 1 1 11 6  25 o 40.374  0.8594 599.102   25.432  625.727   37.283   575.930   34.781   41.198  1.2347 39.531  1.2004 1.666862       1.722030  
1 1 1 11 6  26 o 36.020  1.1137 478.391   29.403  490.800   41.379   465.734   41.789   36.381  1.5518 35.424  1.6095 0.9568596      2.235681  
1 1 1 11 6  27 o 12.783  0.6046 60.005    5.6642  51.241    7.7544   70.030    8.2935   11.763  0.9064 13.773  0.8254 -2.009771      1.225870  
1 1 1 11 7  0  o 18.498  0.6671 125.900   9.0180  126.355   12.810   125.452   12.697   18.493  0.9508 18.427  0.9458 0.000000       0.000000  
1 1 1 11 7  1  o 80.126  1.5760 2355.49   92.560  2240.17   124.676  2497.10   138.158  78.099  2.1780 82.448  2.2862 -4.348129      3.157585  
1 1 1 11 7  2  o 51.020  1.2965 954.702   48.483  1022.55   81.042   916.883   60.505   52.770  2.0953 49.988  1.6514 2.781960       2.667831  
1 1 1 11 7  3  o 132.884 3.7373 6512.97   364.010 7840.59   613.214  5790.61   452.326  145.162 5.7634 125.001 4.9369 20.16082       7.588825  
1 1 1 11 7  4  o 73.740  1.5546 1995.00   84.022  1996.07   111.361  1993.59   128.023  73.729  2.0607 73.659  2.3713 0.6923676E-01  3.141563  
1 1 1 11 7  5  o 73.178  1.4549 1964.44   78.037  2037.43   102.700  1864.72   120.038  74.500  1.8808 71.243  2.2988 3.256737       2.970118  
1 1 1 11 7  6  o 40.009  0.8221 586.809   24.107  595.810   30.855   572.706   38.622   40.310  1.0443 39.515  1.3335 0.7957573      1.693768  
1 1 1 11 7  7  o 57.360  1.1464 1206.55   48.196  1197.36   67.803   1215.94   68.522   57.123  1.6194 57.564  1.6240 -0.4411011     2.293469  
1 1 1 11 7  8  o 158.940 3.1064 9302.38   361.881 9710.56   533.207  8953.81   492.740  161.969 4.4914 155.588 4.3208 6.381607       6.232320  
1 1 1 11 7  9  o 95.743  1.8787 3365.56   131.840 3318.89   184.013  3414.79   188.986  94.992  2.6429 96.350  2.6761 -1.358215      3.761144  
1 1 1 11 7  10 o 39.748  0.9550 579.291   27.821  553.628   46.809   593.308   34.595   38.838  1.6443 40.221  1.1735 -1.382496      2.020137  
1 1 1 11 7  11 o 63.261  1.4492 1468.43   67.198  1430.62   92.595   1510.50   97.672   62.405  2.0244 64.119  2.0783 -1.714470      2.901248  
1 1 1 11 7  12 o 164.641 3.2273 9999.35   389.456 10031.67  551.877  9967.29   549.678  164.364 4.5809 163.837 4.5774 0.5266418      6.475903  
1 1 1 11 7  13 o 28.404  0.7429 295.795   15.466  307.869   19.592   275.827   25.195   28.975  0.9225 27.419  1.2537 1.556278       1.556490  
1 1 1 11 7  14 o 72.049  1.6549 1906.82   87.394  1756.35   114.358  2118.08   135.503  69.079  2.2586 75.833  2.4378 -6.754066      3.323299  
1 1 1 11 7  15 o 28.146  0.6330 290.433   13.058  298.549   18.925   283.057   18.041   28.531  0.9050 27.781  0.8860 0.7496567      1.266491  
1 1 1 11 7  16 o 46.648  0.9589 798.324   32.785  764.297   44.293   839.554   48.757   45.621  1.3246 47.810  1.3914 -2.188351      1.921054  
1 1 1 11 7  17 o 66.361  1.3272 1617.96   64.557  1613.46   91.419   1622.44   91.176   66.184  1.8845 66.370  1.8742 -0.1858292     2.657857  
1 1 1 11 7  18 f 71.833  1.4316 1897.94   75.377  1955.17   126.254  1866.24   93.960   72.679  2.3701 71.155  1.8016 1.523338       2.977058  
1 1 1 11 7  19 o 25.324  0.6947 235.263   12.895  236.700   22.485   234.559   15.742   25.374  1.2090 25.279  0.8496 0.9484673E-01  1.477637  
1 1 1 11 7  20 o 20.288  0.5590 150.955   8.3126  156.366   13.910   147.950   10.367   20.634  0.9198 20.080  0.7044 0.5542297      1.158503  
1 1 1 11 7  21 o 32.721  0.7218 392.945   17.310  419.182   29.897   379.715   21.230   33.752  1.2085 32.153  0.9009 1.599476       1.507334  
1 1 1 11 7  22 o 46.773  1.3782 806.295   47.247  787.889   66.643   824.894   66.993   46.100  1.9723 47.179  1.9373 -1.079708      2.764614  
1 1 1 11 7  23 o 17.717  0.5616 115.157   7.2935  106.589   9.9674   125.033   10.701   17.037  0.7982 18.452  0.7912 -1.415508      1.123891  
1 1 1 11 7  24 f 49.733  1.0247 909.905   37.351  922.510   53.430   897.857   52.235   49.978  1.4586 49.309  1.4453 0.6688614      2.053355  
1 1 1 11 7  25 o 36.819  0.8027 498.216   21.663  491.052   30.407   505.600   30.872   36.502  1.1365 37.038  1.1372 -0.5366669     1.607759  
1 1 1 11 7  26 o 35.807  0.9130 471.956   23.962  460.997   32.853   484.414   35.028   35.317  1.2691 36.190  1.3205 -0.8732719     1.831514  
1 1 1 11 7  27 o 33.812  0.7602 420.397   18.840  405.878   25.660   437.376   27.749   33.170  1.0554 34.424  1.0998 -1.253403      1.524289  
1 1 1 11 8  0  o 55.910  1.5841 1149.04   64.799  1267.72   100.633  1064.98   84.694   58.636  2.3501 53.748  2.1578 0.000000       0.000000  
1 1 1 11 8  1  o 72.607  1.4358 1933.89   76.410  1773.95   98.996   2169.60   120.178  69.511  1.9431 76.858  2.1333 -7.347565      2.885550  
1 1 1 11 8  2  o 39.546  0.8619 573.349   24.984  555.878   36.971   588.034   33.895   38.930  1.2957 40.044  1.1548 -1.113518      1.735615  
1 1 1 11 8  3  o 46.111  1.1855 779.751   40.067  857.036   56.297   700.424   57.036   48.329  1.5893 43.684  1.7813 4.645191       2.387233  
1 1 1 11 8  4  o 33.244  0.8031 405.144   19.568  406.412   24.125   402.706   33.454   33.293  0.9886 33.133  1.3775 0.1595764      1.695572  
1 1 1 11 8  5  o 46.371  1.0805 788.480   36.725  742.234   48.926   848.168   55.584   44.979  1.4840 48.078  1.5773 -3.099380      2.165708  
1 1 1 11 8  6  o 107.428 2.1118 4238.90   166.286 4347.72   215.720  4079.57   261.036  108.721 2.7071 105.207 3.3851 3.514030       4.334431  
1 1 1 11 8  7  o 95.178  1.8805 3325.95   131.184 3438.20   191.742  3227.17   179.872  96.676  2.7059 93.674  2.6198 3.002808       3.766336  
1 1 1 11 8  8  o 79.963  1.5719 2346.39   92.128  2459.77   136.222  2250.82   125.068  81.813  2.2717 78.269  2.1801 3.543495       3.148536  
1 1 1 11 8  9  o 67.672  1.3483 1680.04   66.878  1802.48   101.783  1587.03   88.717   70.052  1.9823 65.743  1.8411 4.309837       2.705414  
1 1 1 11 8  10 o 73.851  1.6936 2002.19   91.675  2016.98   160.718  1995.06   111.614  73.993  2.9634 73.689  2.0665 0.3045120      3.612796  
1 1 1 11 8  11 f 106.495 2.4343 4171.99   190.011 4357.13   279.794  4013.52   258.857  108.611 3.5147 104.269 3.3871 4.341568       4.881104  
1 1 1 11 8  12 o 33.793  0.7275 418.677   18.020  428.424   26.299   410.050   24.740   34.178  1.0498 33.438  1.0094 0.7399597      1.456389  
1 1 1 11 8  13 o 34.779  0.8570 443.551   21.847  480.919   28.629   391.446   33.805   36.208  1.0787 32.655  1.4124 3.552513       1.777210  
1 1 1 11 8  14 o 9.0470  0.7172 30.199    4.7165  30.465    7.4789   30.023    6.0775   9.0384  1.1554 8.9990  0.9351 0.3947639E-01  1.486331  
1 1 1 11 8  15 o 20.759  0.5394 157.981   8.2075  149.074   11.290   167.965   11.953   20.162  0.7640 21.402  0.7620 -1.239481      1.079007  
1 1 1 11 8  16 o 20.390  0.5456 152.429   8.1536  152.914   11.793   151.986   11.286   20.418  0.7880 20.357  0.7564 0.6138039E-01  1.092270  
1 1 1 11 8  17 o 26.707  0.6238 261.574   12.211  290.654   18.664   239.809   16.146   28.143  0.9048 25.565  0.8617 2.578167       1.249482  
1 1 1 11 8  18 o 57.770  1.1623 1226.50   49.218  1187.13   78.143   1252.39   63.366   56.709  1.8800 58.326  1.4822 -1.617424      2.394033  
1 1 1 11 8  19 o 37.899  0.9263 527.430   25.732  503.045   42.929   541.104   32.147   36.941  1.5855 38.367  1.1432 -1.425636      1.954620  
1 1 1 11 8  20 o 24.246  0.6029 215.651   10.714  209.879   17.702   218.988   13.458   23.897  1.0106 24.426  0.7517 -0.5283928     1.259550  
1 1 1 11 8  21 o 21.729  0.5745 173.198   9.1500  164.775   14.848   178.354   11.618   21.176  0.9567 22.044  0.7191 -0.8680935     1.196757  
1 1 1 11 8  22 o 17.389  0.7324 111.004   9.3346  127.360   16.957   103.892   11.181   18.554  1.2542 16.790  0.9120 1.763647       1.550753  
1 1 1 11 8  23 o 51.731  1.0638 984.537   40.336  1121.16   74.074   926.947   48.092   54.993  1.8377 50.146  1.3085 4.847862       2.255917  
1 1 1 11 8  24 o 48.061  0.9980 849.852   35.158  901.781   52.427   807.415   47.394   49.400  1.4479 46.761  1.3828 2.639095       2.002181  
1 1 1 11 8  25 o 38.841  0.8379 554.794   23.854  564.424   34.254   545.726   33.239   39.108  1.1950 38.458  1.1792 0.6497154      1.678833  
1 1 1 11 8  26 o 37.237  0.8078 510.046   22.046  483.975   29.727   541.911   32.865   36.212  1.1200 38.305  1.1706 -2.093658      1.620093  
1 1 1 11 8  27 o 21.510  0.6043 169.938   9.5267  169.836   13.281   170.046   13.674   21.481  0.8435 21.492  0.8680 -0.1056099E-01 1.210336  
1 1 1 11 9  0  o 85.592  2.3838 2694.93   149.287 2678.77   210.033  2711.43   212.232  85.173  3.3764 85.690  3.3911 0.000000       0.000000  
1 1 1 11 9  1  o 137.189 2.6855 6922.76   270.040 6824.82   375.790  7027.33   388.306  135.975 3.7706 137.959 3.8401 -1.984238      5.381786  
1 1 1 11 9  2  o 114.502 2.2359 4817.07   187.652 4752.76   261.818  4885.01   269.091  113.594 3.1446 115.155 3.1881 -1.561531      4.478002  
1 1 1 11 9  3  o 101.006 1.9769 3746.39   146.359 3855.39   212.635  3648.26   201.760  102.357 2.8342 99.579  2.7643 2.777473       3.959078  
1 1 1 11 9  4  o 33.811  0.7127 419.052   17.663  398.940   21.505   460.741   30.962   32.987  0.8895 35.444  1.1918 -2.457325      1.487109  
1 1 1 11 9  5  o 86.756  1.8342 2763.27   116.635 2662.45   133.191  3094.86   241.555  85.132  2.1345 91.582  3.5985 -6.450180      4.183975  
1 1 1 11 9  6  o 140.700 2.7585 7285.07   284.482 7192.87   355.508  7449.23   474.359  139.639 3.4735 141.770 4.5650 -2.130936      5.736245  
1 1 1 11 9  7  o 56.313  1.1226 1163.01   46.334  1167.03   65.825   1159.05   65.232   56.390  1.5926 56.198  1.5837 0.1926727      2.245956  
1 1 1 11 9  8  o 14.609  0.4970 78.223    5.3212  71.673    7.4186   85.165    7.6368   13.963  0.7274 15.242  0.6836 -1.278602      0.9981648 
1 1 1 11 9  9  o 64.933  1.4877 1547.32   70.803  1781.53   139.993  1466.82   82.073   69.560  2.7458 63.203  1.7717 6.356350       3.267744  
1 1 1 11 9  10 o 85.131  2.3695 2665.85   147.851 2964.80   326.558  2588.77   165.820  89.070  5.0225 83.845  2.6982 5.224655       5.701426  
1 1 1 11 9  11 o 118.331 3.2832 5172.04   284.760 5322.53   585.119  5125.33   325.967  118.369 6.7723 117.646 3.7802 0.7227173      7.755867  
1 1 1 11 9  12 o 38.128  0.9217 533.146   25.758  524.639   35.935   542.136   36.940   37.809  1.2967 38.434  1.3113 -0.6247177     1.844152  
1 1 1 11 9  13 o 42.009  1.0062 647.377   30.983  668.644   39.134   611.657   50.718   42.683  1.2509 40.798  1.6961 1.884731       2.107466  
1 1 1 11 9  14 o 111.202 2.5280 4563.46   206.046 4855.28   309.464  4331.08   276.159  114.254 3.6954 107.996 3.4887 6.257637       5.082037  
1 1 1 11 9  15 o 45.509  0.9346 759.862   31.175  815.877   47.001   715.862   41.657   47.126  1.3607 44.149  1.2873 2.977272       1.873167  
1 1 1 11 9  16 o 28.027  0.6429 288.063   13.206  311.691   19.812   269.167   17.717   29.143  0.9275 27.084  0.8925 2.059490       1.287128  
1 1 1 11 9  17 o 55.211  1.1198 1119.90   45.314  1129.75   64.574   1110.34   63.604   55.384  1.5907 54.908  1.5804 0.4761505      2.242326  
1 1 1 11 9  18 o 53.357  1.0882 1046.27   42.558  1188.02   77.802   985.742   50.837   56.704  1.8719 51.754  1.3402 4.949856       2.302216  
1 1 1 11 9  19 o 40.213  1.1979 594.921   35.307  511.538   59.744   639.671   43.767   37.056  2.2097 41.664  1.4332 -4.608406      2.633794  
1 1 1 11 9  20 o 23.453  0.5884 201.782   10.115  180.570   15.492   217.547   13.356   22.168  0.9535 24.344  0.7485 -2.176538      1.212157  
1 1 1 11 9  21 o 28.867  0.6632 305.817   14.033  320.608   23.758   297.891   17.390   29.521  1.0980 28.479  0.8331 1.042149       1.378254  
1 1 1 11 9  22 o 18.155  0.6484 120.968   8.6280  114.268   11.873   128.464   12.559   17.608  0.9232 18.696  0.9165 -1.087523      1.300884  
1 1 1 11 9  23 o 29.590  0.6827 321.442   14.807  301.920   23.366   334.542   19.140   28.635  1.1133 30.171  0.8655 -1.535288      1.410142  
1 1 1 11 9  24 o 38.297  0.8218 539.127   23.068  604.122   41.624   510.314   27.714   40.423  1.4049 37.230  1.0156 3.192883       1.733521  
1 1 1 11 9  25 o 24.578  0.7890 222.133   14.214  212.182   21.615   229.716   18.868   23.931  1.2365 24.964  1.0312 -1.032902      1.610040  
1 1 1 11 9  26 o 35.323  0.7824 458.993   20.257  476.230   29.482   443.578   27.880   35.909  1.1201 34.662  1.0974 1.247540       1.568111  
1 1 1 11 10 0  o 46.424  1.3284 792.162   45.119  832.348   66.655   758.176   61.297   47.517  1.9210 45.350  1.8511 0.000000       0.000000  
1 1 1 11 10 1  o 188.096 3.7127 13064.31  511.863 13979.85  769.179  12336.61  685.750  193.755 5.4162 182.158 5.1361 11.59763       7.464252  
1 1 1 11 10 2  o 76.986  1.5238 2174.86   85.982  2228.53   123.858  2124.94   119.455  77.879  2.1698 76.050  2.1430 1.829231       3.049704  
1 1 1 11 10 3  o 10.350  0.5035 39.265    3.8197  37.624    4.9562   41.666    5.9946   10.109  0.6728 10.633  0.7745 -0.5239382     1.025911  
1 1 1 11 10 4  o 110.185 2.1568 4461.19   174.185 4447.85   219.320  4483.96   286.652  109.934 2.7219 110.217 3.5484 -0.2828674     4.472059  
1 1 1 11 10 5  o 22.352  0.5709 183.127   9.3525  180.833   11.092   188.769   17.396   22.210  0.6814 22.688  1.0461 -0.4779282     1.248404  
1 1 1 11 10 6  o 79.029  1.5698 2292.32   90.933  2483.27   124.318  2072.62   133.353  82.209  2.0632 75.067  2.4237 7.141441       3.182887  
1 1 1 11 10 7  o 119.191 2.3403 5224.40   204.451 5302.33   292.643  5150.09   285.756  119.865 3.3309 118.140 3.3000 1.725739       4.688845  
1 1 1 11 10 8  o 46.315  1.0102 786.661   34.295  802.749   46.351   767.201   50.979   46.774  1.3520 45.719  1.5213 1.054672       2.035231  
1 1 1 11 10 9  o 47.336  1.1044 821.880   38.317  824.404   67.040   820.656   46.696   47.367  1.9310 47.291  1.3472 0.7603836E-01  2.354466  
1 1 1 11 10 10 o 24.567  0.7125 221.271   12.829  210.867   19.032   229.935   17.369   23.976  1.0830 25.040  0.9464 -1.063272      1.438216  
1 1 1 11 10 11 o 22.394  0.5477 183.839   8.9907  176.358   12.542   191.748   12.895   21.931  0.7802 22.868  0.7693 -0.9370518     1.095732  
1 1 1 11 10 12 o 90.571  1.7876 3015.70   118.671 3110.34   172.815  2931.25   163.246  91.829  2.5676 89.161  2.4980 2.667625       3.582207  
1 1 1 11 10 13 o 30.351  0.7737 337.822   17.211  329.607   20.707   356.179   30.953   29.975  0.9425 31.143  1.3560 -1.168377      1.651382  
1 1 1 11 10 14 o 61.370  1.5548 1384.67   69.938  1404.90   91.890   1356.80   107.827  61.748  2.0303 60.611  2.4271 1.136559       3.164366  
1 1 1 11 10 15 o 45.931  0.9478 774.245   31.908  793.151   46.005   756.722   44.292   46.454  1.3512 45.376  1.3317 1.077465       1.897136  
1 1 1 11 10 16 o 29.113  0.6543 310.882   13.962  316.935   20.211   305.356   19.310   29.383  0.9385 28.842  0.9134 0.5404129      1.309590  
1 1 1 11 10 17 o 42.464  0.8840 662.023   27.513  630.290   37.490   699.065   40.504   41.398  1.2355 43.594  1.2676 -2.196091      1.770143  
1 1 1 11 10 18 o 41.827  0.9306 642.599   28.529  597.289   49.981   664.495   34.745   40.221  1.6954 42.513  1.1150 -2.292095      2.029218  
1 1 1 11 10 19 o 31.640  0.8929 367.760   20.706  383.634   33.253   357.707   26.463   32.259  1.4063 31.180  1.1580 1.079752       1.821714  
1 1 1 11 10 20 o 27.541  0.8102 278.547   16.355  255.042   23.985   298.974   22.360   26.316  1.2435 28.511  1.0700 -2.194481      1.640470  
1 1 1 11 10 21 o 32.633  0.9170 391.381   21.932  370.828   33.479   406.832   29.028   31.697  1.4410 33.238  1.1915 -1.540173      1.869853  
1 1 1 11 10 22 o 30.550  0.9913 343.281   22.198  340.273   30.546   346.648   32.315   30.366  1.3724 30.639  1.4390 -0.2726727     1.988495  
1 1 1 11 10 23 o 36.962  0.8018 502.056   21.722  474.765   34.146   520.608   28.153   35.865  1.2990 37.607  1.0213 -1.742657      1.652398  
1 1 1 11 10 24 o 25.442  0.6291 237.715   11.732  247.718   19.941   232.420   14.509   25.925  1.0494 25.143  0.7873 0.7819176      1.311929  
1 1 1 11 10 25 o 25.318  0.8679 235.985   16.106  229.537   29.194   238.806   19.311   24.782  1.6160 25.445  1.0355 -0.6625023     1.919297  
1 1 1 11 10 26 o 17.046  0.5633 106.701   7.0383  109.954   11.781   104.895   8.7766   17.247  0.9354 16.891  0.7089 0.3568134      1.173721  
1 1 1 11 11 0  o 101.421 2.8280 3787.70   209.855 3638.26   283.969  3967.53   311.499  99.173  3.9205 103.535 4.1196 0.000000       0.000000  
1 1 1 11 11 1  o 75.989  1.4974 2119.13   83.403  2075.24   115.781  2166.47   120.244  75.148  2.1020 76.778  2.1367 -1.630539      2.997338  
1 1 1 11 11 2  o 13.815  0.5015 69.955    5.0778  70.431    6.6614   69.295    7.8450   13.861  0.6557 13.726  0.7830 0.1353045      1.021295  
1 1 1 11 11 3  o 34.826  0.7219 444.622   18.427  445.562   23.461   443.109   29.771   34.859  0.9183 34.757  1.1686 0.1018715      1.486206  
1 1 1 11 11 4  o 58.682  1.1713 1263.13   50.379  1375.55   68.948   1134.36   73.792   61.218  1.5366 55.576  1.8115 5.642029       2.375439  
1 1 1 11 11 5  o 29.206  0.6330 312.686   13.551  301.730   16.772   333.285   22.997   28.687  0.7976 30.146  1.0408 -1.458319      1.311289  
1 1 1 11 11 6  o 103.122 2.0396 3908.25   154.165 3768.89   187.394  4200.09   271.175  101.190 2.5266 106.618 3.4701 -5.427338      4.292462  
1 1 1 11 11 7  o 90.078  1.7658 2980.28   116.582 3034.22   167.831  2929.99   162.065  90.785  2.5222 89.219  2.4783 1.565926       3.536003  
1 1 1 11 11 8  o 75.849  1.5016 2112.04   83.482  2009.83   113.070  2234.53   123.778  73.932  2.0866 77.945  2.1666 -4.013069      3.007980  
1 1 1 11 11 9  f 59.636  1.3674 1305.43   59.769  1343.88   106.670  1287.83   72.160   60.409  2.4091 59.211  1.6627 1.197819       2.927222  
1 1 1 11 11 10 o 27.615  0.7059 279.596   14.288  288.012   20.580   271.766   19.851   28.020  1.0021 27.219  0.9950 0.8015499      1.412171  
1 1 1 11 11 11 o 42.927  0.8785 675.869   27.642  644.229   37.561   713.248   40.825   41.894  1.2232 44.079  1.2636 -2.184780      1.758685  
1 1 1 11 11 12 o 16.093  0.4973 94.936    5.8655  88.708    8.1837   101.516   8.4111   15.553  0.7179 16.639  0.6897 -1.085358      0.9954911 
1 1 1 11 11 13 o 34.531  0.7908 437.371   20.016  437.474   26.583   437.237   30.417   34.524  1.0505 34.507  1.2026 0.1745987E-01  1.596861  
1 1 1 11 11 14 o 34.236  0.9373 430.180   23.520  420.990   30.246   444.237   37.407   33.852  1.2190 34.755  1.4684 -0.9030838     1.908489  
1 1 1 11 11 15 o 16.986  0.5201 105.790   6.4755  113.131   9.5723   99.596    8.7928   17.560  0.7437 16.477  0.7281 1.083567       1.040772  
1 1 1 11 11 16 o 36.662  0.7766 493.280   20.869  491.926   29.480   494.639   29.545   36.585  1.0994 36.686  1.0988 -0.1008186     1.554309  
1 1 1 11 11 17 o 37.742  0.7981 522.915   22.077  502.908   30.227   545.792   32.322   36.984  1.1151 38.525  1.1446 -1.541237      1.597989  
1 1 1 11 11 18 o 35.131  0.8672 453.339   22.330  475.689   40.495   443.573   26.768   35.898  1.5390 34.732  1.0515 1.166557       1.863921  
1 1 1 11 11 19 o 45.217  0.9354 751.404   31.002  778.519   52.542   736.921   38.399   45.910  1.5614 44.743  1.1709 1.166855       1.951661  
1 1 1 11 11 20 o 33.030  0.7284 400.557   17.635  383.453   28.157   411.597   22.621   32.267  1.1905 33.463  0.9223 -1.195930      1.505959  
1 1 1 11 11 21 o 34.913  0.7645 447.672   19.564  444.863   31.898   449.366   24.770   34.740  1.2527 34.956  0.9668 -0.2164307     1.582417  
1 1 1 11 11 22 o 35.992  0.8329 476.119   21.972  445.663   32.034   503.177   30.194   34.757  1.2574 36.958  1.1146 -2.200733      1.680332  
1 1 1 11 11 23 o 19.221  0.6106 135.649   8.6031  138.098   13.369   133.917   11.239   19.370  0.9417 19.085  0.8035 0.2841530      1.237843  
1 1 1 11 11 24 o 25.911  0.6326 246.637   12.015  246.508   19.724   246.714   15.151   25.853  1.0409 25.897  0.7982 -0.4474831E-01 1.311686  
1 1 1 11 11 25 o 22.474  0.7008 185.707   11.545  169.192   18.623   196.016   14.713   21.353  1.1947 23.069  0.8701 -1.716171      1.477986  
1 1 1 11 12 0  o 120.785 3.3649 5380.06   297.371 5131.41   401.843  5681.07   442.130  117.606 4.6785 123.705 4.8936 0.000000       0.000000  
1 1 1 11 12 1  f 52.134  1.0463 996.833   39.982  1063.73   59.964   943.282   53.648   53.832  1.5197 50.697  1.4438 3.135365       2.096192  
1 1 1 11 12 2  o 73.521  1.4454 1983.87   77.888  2017.15   100.189  1933.02   123.831  74.100  1.8447 72.487  2.3307 1.613731       2.972378  
1 1 1 11 12 3  o 79.616  1.6812 2327.71   98.106  2368.76   132.703  2278.24   145.689  80.250  2.2561 78.665  2.5268 1.584641       3.387389  
1 1 1 11 12 4  o 43.517  0.8829 694.403   28.161  671.328   34.461   740.793   48.860   42.781  1.0990 44.923  1.4839 -2.142548      1.846544  
1 1 1 11 12 5  f 78.457  1.5468 2260.01   88.949  2296.07   114.031  2203.98   142.152  79.036  1.9684 77.363  2.5069 1.672272       3.187355  
1 1 1 11 12 6  o 89.383  1.7741 2935.39   116.226 3300.78   163.722  2564.16   165.023  94.691  2.3589 83.402  2.6995 11.28977       3.584986  
1 1 1 11 12 7  o 85.665  1.6818 2696.03   105.601 2672.26   148.283  2720.49   150.426  85.183  2.3750 85.946  2.3879 -0.7629471     3.367851  
1 1 1 11 12 8  o 22.918  0.5459 192.539   9.1693  202.111   13.569   184.496   12.439   23.477  0.7886 22.431  0.7566 1.045832       1.092814  
1 1 1 11 12 9  o 34.830  1.0286 445.074   26.259  404.564   47.535   462.864   31.501   33.101  1.9682 35.512  1.2103 -2.410877      2.310485  
1 1 1 11 12 10 o 18.977  0.5189 132.017   7.2176  133.947   10.324   130.171   10.094   19.112  0.7370 18.841  0.7309 0.2712688      1.038004  
1 1 1 11 12 11 o 37.880  0.7913 526.273   21.971  501.440   29.953   555.196   32.326   36.961  1.1056 38.890  1.1340 -1.929165      1.583815  
1 1 1 11 12 12 o 61.714  1.2312 1398.91   55.692  1347.35   76.208   1458.01   81.589   60.502  1.7185 62.929  1.7689 -2.427265      2.466223  
1 1 1 11 12 13 o 40.504  0.9051 602.088   26.872  669.566   38.928   540.669   37.139   42.686  1.2442 38.352  1.3212 4.334709       1.814838  
1 1 1 11 12 14 o 60.266  1.5535 1337.65   68.622  1248.32   83.388   1525.06   120.780  58.134  1.9570 64.074  2.5718 -5.939697      3.231704  
1 1 1 11 12 15 o 16.451  0.5157 99.249    6.2180  93.672    8.7141   105.035   8.8754   15.977  0.7441 16.919  0.7157 -0.9421511     1.032467  
1 1 1 11 12 16 o 22.000  0.5569 177.531   8.9810  173.245   12.652   181.885   12.751   21.724  0.7946 22.260  0.7815 -0.5357533     1.114513  
1 1 1 11 12 17 o 38.459  0.8095 543.161   22.820  558.951   33.239   529.082   31.385   38.971  1.1636 37.920  1.1292 1.050861       1.621466  
1 1 1 11 12 18 o 21.759  0.7765 173.866   12.384  183.027   23.585   170.378   14.552   22.223  1.4560 21.531  0.9221 0.6915684      1.723415  
1 1 1 11 12 19 o 12.681  0.5342 58.997    4.9657  54.084    7.9527   62.137    6.3573   12.097  0.9034 12.994  0.6698 -0.8963795     1.124643  
1 1 1 11 12 20 o 10.362  0.6052 39.541    4.5767  42.181    7.5963   38.037    5.7343   10.664  0.9829 10.146  0.7770 0.5174284      1.252934  
1 1 1 11 12 21 o 39.575  0.8366 575.657   24.268  579.101   40.099   573.667   30.484   39.594  1.3817 39.473  1.0536 0.1207848      1.737627  
1 1 1 11 12 22 o 31.752  0.7597 370.502   17.680  392.701   28.451   356.536   22.566   32.625  1.1898 31.118  0.9894 1.506325       1.547379  
1 1 1 11 12 23 o 5.5758  1.2750 11.955    5.0976  17.848    11.795   10.602    5.6528   6.8848  2.1247 5.2614  1.4289 1.623411       2.560503  
1 1 1 11 12 24 o 31.226  0.7167 358.566   16.404  317.014   24.560   392.030   22.041   29.284  1.1442 32.615  0.9220 -3.330334      1.469480  
1 1 1 11 12 25 o 26.953  0.6511 267.026   12.864  249.682   20.289   278.684   16.634   25.999  1.0647 27.511  0.8249 -1.511677      1.346893  
1 1 1 11 13 0  o 4.0577  1.5524 8.2040    4.3573  9.4448    6.6267   7.2590    5.7833   4.1997  1.9466 3.6676  1.8038 0.000000       0.000000  
1 1 1 11 13 1  o 57.815  1.1554 1226.35   48.961  1140.84   64.488   1342.73   75.230   55.736  1.5786 60.457  1.6977 -4.720913      2.318215  
1 1 1 11 13 2  o 35.682  0.7380 466.819   19.302  446.677   23.514   508.434   33.799   34.899  0.9192 37.223  1.2388 -2.323624      1.542626  
1 1 1 11 13 3  o 107.023 2.0942 4213.71   164.277 4300.74   211.874  4082.53   260.127  107.993 2.6767 105.024 3.3792 2.968544       4.310891  
1 1 1 11 13 4  o 54.299  1.0800 1081.67   42.981  1089.81   54.810   1068.68   69.266   54.485  1.3725 53.926  1.7524 0.5597343      2.225913  
1 1 1 11 13 5  o 96.203  1.8905 3403.30   133.303 3400.14   168.385  3408.61   218.184  96.061  2.3915 96.004  3.1007 0.5704498E-01  3.915812  
1 1 1 11 13 6  o 112.044 2.1971 4623.35   180.438 4616.95   227.923  4634.10   295.334  111.801 2.7814 111.711 3.6069 0.9020996E-01  4.554779  
1 1 1 11 13 7  o 15.695  0.5107 90.304    5.8746  96.471    9.1642   86.001    7.6542   16.219  0.7709 15.315  0.6819 0.9043331      1.029169  
1 1 1 11 13 8  o 41.996  0.9206 646.989   28.338  610.872   41.352   678.969   38.912   40.781  1.3834 43.004  1.2345 -2.222878      1.854148  
1 1 1 11 13 9  o 34.914  0.9231 447.218   23.622  463.890   38.291   436.974   30.013   35.529  1.4704 34.500  1.1869 1.029602       1.889655  
1 1 1 11 13 10 o 55.454  1.1108 1128.95   45.149  1175.99   66.402   1088.51   61.571   56.543  1.6022 54.407  1.5440 2.136501       2.225083  
1 1 1 11 13 11 o 78.349  1.5530 2258.69   89.182  2262.31   126.086  2255.06   126.159  78.256  2.1982 78.129  2.2031 0.1269226      3.112163  
1 1 1 11 13 12 o 45.742  0.9316 768.061   31.234  752.530   43.547   784.517   44.825   45.240  1.3133 46.190  1.3240 -0.9502373     1.864858  
1 1 1 11 13 13 o 50.969  1.1057 954.646   41.306  962.492   55.161   944.629   62.325   51.124  1.4721 50.611  1.6801 0.5134087      2.233762  
1 1 1 11 13 14 o 48.182  1.2505 854.254   44.164  883.281   59.026   817.336   66.566   48.922  1.6461 46.998  1.9324 1.923660       2.538461  
1 1 1 11 13 15 o 22.847  0.5974 191.491   10.004  203.325   14.124   179.578   14.171   23.532  0.8189 22.112  0.8743 1.419815       1.197919  
1 1 1 11 13 16 o 42.088  0.8699 650.784   26.835  645.265   37.808   656.388   38.095   41.857  1.2323 42.216  1.2311 -0.3594437     1.741949  
1 1 1 11 13 17 f 36.948  0.7922 501.400   21.455  470.367   29.016   538.833   31.869   35.750  1.1074 38.259  1.1365 -2.509163      1.586752  
1 1 1 11 13 18 o 25.716  0.7517 242.856   14.168  230.600   20.953   253.181   19.231   25.024  1.1424 26.235  1.0001 -1.211346      1.518283  
1 1 1 11 13 19 o 29.163  0.6634 312.237   14.180  316.967   23.745   309.616   17.679   29.338  1.1042 29.026  0.8310 0.3119011      1.381947  
1 1 1 11 13 20 o 15.655  0.5301 89.920    6.0824  101.911   10.674   84.154    7.4016   16.625  0.8791 15.139  0.6670 1.486247       1.103487  
1 1 1 11 13 21 o 39.686  0.8498 579.216   24.719  569.298   39.833   585.427   31.523   39.232  1.3852 39.856  1.0791 -0.6240158     1.755932  
1 1 1 11 13 22 f 16.744  0.5621 102.932   6.8984  108.615   11.610   99.831    8.5768   17.148  0.9271 16.480  0.7100 0.6673679      1.167790  
1 1 1 11 13 23 o 26.742  0.7513 263.076   14.725  257.278   26.687   265.614   17.657   26.290  1.3899 26.849  0.8972 -0.5589256     1.654298  
1 1 1 11 13 24 o 13.125  0.7905 63.652    7.5693  72.962    12.913   58.778    9.3426   13.970  1.2751 12.575  1.0224 1.395024       1.634425  
1 1 1 11 14 0  o 9.5548  0.7475 34.077    5.1610  25.972    7.3775   41.845    7.2225   8.0951  1.3583 10.556  0.9512 0.000000       0.000000  
1 1 1 11 14 1  o 39.932  0.8129 584.797   23.793  592.025   30.522   573.599   37.989   40.169  1.0366 39.526  1.3113 0.6436768      1.671551  
1 1 1 11 14 2  o 55.143  1.0965 1115.83   44.318  1127.98   56.727   1096.80   70.998   55.420  1.3965 54.613  1.7737 0.8071594      2.257457  
1 1 1 11 14 3  o 32.820  0.6919 394.976   16.644  377.023   20.315   431.623   29.025   32.061  0.8645 34.293  1.1547 -2.231712      1.442500  
1 1 1 11 14 4  o 50.616  1.0206 940.041   37.864  1020.93   51.703   846.480   55.606   52.726  1.3379 47.991  1.5808 4.735214       2.070967  
1 1 1 11 14 5  o 27.102  0.5981 269.312   11.882  284.089   15.841   250.308   17.964   27.832  0.7765 26.120  0.9383 1.711464       1.217974  
1 1 1 11 14 6  o 71.302  1.5098 1868.58   78.903  1995.89   110.951  1738.31   112.231  73.600  2.0567 68.655  2.2303 4.945442       3.033847  
1 1 1 11 14 7  o 52.766  1.0609 1021.94   41.029  1047.30   59.345   998.720   56.787   53.374  1.5170 52.125  1.4864 1.249313       2.123783  
1 1 1 11 14 8  o 46.829  1.0922 805.118   37.488  810.005   65.525   802.740   45.707   46.886  1.9067 46.740  1.3342 0.1462784      2.327139  
1 1 1 11 14 9  o 43.127  1.0128 682.794   32.014  690.288   45.650   675.542   44.908   43.325  1.4376 42.860  1.4295 0.4644127      2.027335  
1 1 1 11 14 10 o 15.779  0.4915 91.284    5.6844  90.849    8.1526   91.695    7.9300   15.737  0.7068 15.811  0.6843 -0.7356071E-01 0.9837593 
1 1 1 11 14 11 o 44.701  0.9147 733.636   29.969  803.169   46.042   682.523   39.476   46.723  1.3444 43.082  1.2501 3.640533       1.835842  
1 1 1 11 14 12 f 9.1853  0.5861 31.072    3.9252  24.988    5.7553   36.363    5.3671   8.1897  0.9781 9.9265  0.7431 -1.736728      1.228361  
1 1 1 11 14 13 o 10.700  0.5428 42.098    4.2426  42.806    6.1638   41.460    5.8485   10.770  0.7863 10.601  0.7577 0.1688223      1.091939  
1 1 1 11 14 14 o 25.820  0.7772 244.779   14.708  247.571   19.441   241.042   22.492   25.950  1.0222 25.590  1.1992 0.3598461      1.575682  
1 1 1 11 14 15 o 57.695  1.2376 1226.42   52.338  1230.36   69.714   1221.33   79.228   57.669  1.6493 57.375  1.8840 0.2940598      2.503921  
1 1 1 11 14 16 o 45.776  0.9387 770.400   31.493  754.256   43.893   787.529   45.213   45.221  1.3243 46.206  1.3350 -0.9842720     1.880401  
1 1 1 11 14 17 o 22.762  0.6075 190.142   10.135  203.027   16.630   182.528   12.783   23.494  0.9657 22.291  0.7824 1.203787       1.242892  
1 1 1 11 14 18 o 25.619  0.6162 240.905   11.571  218.715   15.538   268.532   17.337   24.391  0.8691 27.026  0.8752 -2.634842      1.233450  
1 1 1 11 14 19 o 5.2696  0.9983 10.557    3.7147  13.024    6.2799   9.2289    4.6072   5.8218  1.4711 4.9096  1.2705 0.9122548      1.943808  
1 1 1 11 14 20 o 15.025  0.5433 82.850    5.9828  83.388    10.088   82.558    7.4305   15.025  0.9205 14.992  0.6762 0.3274441E-01  1.142163  
1 1 1 11 14 21 o 25.131  0.6221 231.994   11.459  216.863   18.283   241.783   14.706   24.250  1.0287 25.639  0.7826 -1.389196      1.292496  
1 1 1 11 14 22 f 26.497  0.6397 258.029   12.423  277.600   21.773   248.582   15.127   27.411  1.0837 25.988  0.7941 1.423832       1.343532  
1 1 1 11 14 23 o 17.322  0.7587 110.449   9.6326  115.842   16.742   107.779   11.777   17.618  1.3058 17.065  0.9453 0.5526199      1.612023  
1 1 1 11 15 0  o 91.565  2.5528 3093.21   171.025 2885.70   319.029  3176.89   202.596  87.588  5.0069 92.685  2.9893 0.000000       0.000000  
1 1 1 11 15 1  o 41.673  0.8467 637.066   25.862  631.893   32.509   645.984   42.682   41.492  1.0690 41.930  1.3888 -0.4378624     1.752569  
1 1 1 11 15 2  o 79.790  1.5695 2341.10   91.787  2338.23   116.055  2345.88   149.989  79.660  1.9877 79.647  2.5693 0.1390839E-01  3.248380  
1 1 1 11 15 3  o 54.714  1.0898 1098.95   43.705  1086.84   54.828   1120.05   72.381   54.384  1.3755 55.158  1.7903 -0.7735405     2.257699  
1 1 1 11 15 4  o 56.273  1.1194 1162.66   46.172  1170.35   58.896   1150.39   74.372   56.427  1.4240 55.891  1.8155 0.5353279      2.307326  
1 1 1 11 15 5  o 12.095  0.4915 53.629    4.3568  55.457    5.8648   51.377    6.5082   12.280  0.6540 11.811  0.7558 0.4689941      0.9994156 
1 1 1 11 15 6  o 110.095 2.1677 4477.19   174.924 4436.90   245.066  4519.03   249.760  109.172 3.0626 110.161 3.0933 -0.9885101     4.352901  
1 1 1 11 15 7  o 51.599  1.0455 977.690   39.539  960.026   55.031   996.538   56.847   51.080  1.4699 52.040  1.4904 -0.9593925     2.093241  
1 1 1 11 15 8  o 8.1829  0.7365 24.765    4.3701  23.813    8.8294   25.074    5.0293   7.9025  1.5796 8.2223  0.8466 -0.3197465     1.792152  
1 1 1 11 15 9  o 55.623  1.1933 1137.49   48.652  1128.87   64.121   1149.19   74.689   55.345  1.5807 55.788  1.8266 -0.4432983     2.415544  
1 1 1 11 15 10 o 51.773  1.0417 985.014   39.530  988.446   56.321   981.682   55.495   51.790  1.4837 51.616  1.4669 0.1742859      2.086387  
1 1 1 11 15 11 f 24.181  0.5682 214.487   10.071  219.360   14.672   210.146   13.847   24.442  0.8190 23.925  0.7896 0.5172729      1.137668  
1 1 1 11 15 12 f 14.415  0.5016 76.215    5.3001  73.126    7.5914   79.152    7.4032   14.095  0.7374 14.686  0.6878 -0.5908632     1.008354  
1 1 1 11 15 13 o 10.572  0.5444 41.113    4.2044  35.915    6.0430   45.990    5.8535   9.8515  0.8451 11.170  0.7188 -1.317986      1.109428  
1 1 1 11 15 14 o 33.677  0.8425 416.753   20.797  401.365   24.696   454.276   38.565   33.029  1.0201 35.060  1.5007 -2.030724      1.814592  
1 1 1 11 15 15 o 26.285  0.7075 253.701   13.632  244.669   19.528   262.283   19.037   25.785  1.0333 26.703  0.9726 -0.9183121     1.419068  
1 1 1 11 15 16 o 32.197  0.7058 380.683   16.656  365.641   22.942   397.449   24.221   31.522  0.9930 32.863  1.0056 -1.340828      1.413188  
1 1 1 11 15 17 o 22.484  0.7848 185.772   12.933  178.173   23.148   189.221   15.594   21.901  1.4502 22.679  0.9381 -0.7773304     1.727206  
1 1 1 11 15 18 o 33.052  0.7238 401.328   17.535  429.008   26.353   379.336   23.491   34.126  1.0536 32.098  0.9985 2.027927       1.451535  
1 1 1 11 15 19 o 30.110  0.6857 333.062   15.133  330.335   21.565   335.707   21.240   29.947  0.9824 30.193  0.9598 -0.2459679     1.373442  
1 1 1 11 15 20 o 19.276  0.5602 136.428   7.9142  118.256   12.301   149.261   10.338   17.890  0.9414 20.151  0.6999 -2.260727      1.173117  
1 1 1 11 15 21 o 22.480  0.5919 185.667   9.7533  173.012   15.460   194.034   12.570   21.654  0.9741 22.964  0.7468 -1.309706      1.227415  
1 1 1 11 15 22 o 9.1606  0.7319 31.079    4.8735  39.065    8.0227   26.409    6.1351   10.220  1.0877 8.3945  1.0179 1.825996       1.489708  
1 1 1 11 15 23 o 31.117  1.0323 357.909   23.545  349.824   33.974   365.380   32.659   30.613  1.5141 31.320  1.4227 -0.7066536     2.077626  
1 1 1 11 16 0  o 23.406  0.7650 201.516   13.092  191.454   24.569   205.506   15.472   22.688  1.4923 23.621  0.8966 0.000000       0.000000  
1 1 1 11 16 1  o 48.882  0.9805 877.247   35.128  918.863   46.443   821.608   53.701   49.998  1.2673 47.244  1.5508 2.754715       2.002770  
1 1 1 11 16 2  o 59.134  1.1780 1284.87   51.056  1287.46   64.635   1280.57   83.261   59.147  1.4909 58.906  1.9284 0.2411880      2.437535  
1 1 1 11 16 3  o 39.075  0.8012 560.261   22.947  567.916   29.515   548.565   36.485   39.325  1.0240 38.626  1.2887 0.6988258      1.645992  
1 1 1 11 16 4  o 30.014  0.6435 330.427   14.157  331.775   18.153   328.335   22.616   30.068  0.8237 29.900  1.0320 0.1679935      1.320392  
1 1 1 11 16 5  o 76.871  1.5279 2176.48   86.088  2299.99   114.809  2017.84   130.117  78.886  1.9856 73.743  2.4073 5.142754       3.120542  
1 1 1 11 16 6  o 66.453  1.3293 1625.00   64.746  1819.44   101.778  1492.83   83.915   70.142  1.9797 63.584  1.8006 6.557186       2.676034  
1 1 1 11 16 7  o 14.115  0.5198 73.061    5.3775  75.909    8.7487   71.332    6.8175   14.355  0.8351 13.944  0.6671 0.4116373      1.068802  
1 1 1 11 16 8  o 42.424  1.0922 661.753   33.963  640.674   51.909   677.531   44.911   41.646  1.7005 42.877  1.4290 -1.230865      2.221258  
1 1 1 11 16 9  o 20.857  0.5274 159.553   8.0618  165.952   11.855   154.048   10.996   21.261  0.7608 20.486  0.7323 0.7753925      1.055934  
1 1 1 11 16 10 o 62.703  1.2502 1448.19   57.458  1450.95   81.604   1445.46   80.916   62.602  1.7784 62.488  1.7667 0.1143913      2.506801  
1 1 1 11 16 11 o 46.691  0.9514 801.449   32.561  799.279   46.035   803.622   46.060   46.555  1.3491 46.681  1.3462 -0.1269531     1.905853  
1 1 1 11 16 12 o 20.288  0.5283 151.000   7.8563  160.310   11.652   143.238   10.638   20.892  0.7609 19.749  0.7349 1.142199       1.057874  
1 1 1 11 16 13 o 31.337  0.7370 360.682   16.928  360.474   26.102   360.833   22.239   31.281  1.1385 31.319  0.9688 -0.3799057E-01 1.494846  
1 1 1 11 16 14 o 23.286  0.6718 199.093   11.465  197.921   14.100   201.380   19.697   23.206  0.8290 23.377  1.1496 -0.1709766     1.417302  
1 1 1 11 16 15 o 13.547  0.6016 67.368    5.9735  68.181    9.4113   66.819    7.7302   13.580  0.9516 13.461  0.7869 0.1180782      1.234776  
1 1 1 11 16 16 o 22.812  0.5749 191.008   9.6119  188.230   13.643   193.745   13.544   22.627  0.8226 22.958  0.8049 -0.3306618     1.150898  
1 1 1 11 16 17 o 25.894  0.7609 246.442   14.442  234.315   21.376   256.625   19.588   25.201  1.1573 26.394  1.0125 -1.193174      1.537672  
1 1 1 11 16 18 o 31.984  0.7087 375.962   16.614  379.955   23.892   372.223   23.119   32.106  1.0153 31.782  0.9925 0.3243027      1.419776  
1 1 1 11 16 19 f 28.380  0.8472 296.561   17.623  303.634   23.732   287.866   26.312   28.664  1.1296 27.875  1.2878 0.7888527      1.713040  
1 1 1 11 16 20 o 5.2201  1.1167 10.459    4.1433  10.757    6.4974   10.255    5.3788   5.3217  1.5629 5.1650  1.3901 0.1567130      2.091694  
1 1 1 11 16 21 o 10.994  0.6078 44.571    4.8790  50.644    8.2695   41.329    6.0428   11.669  0.9758 10.563  0.7861 1.105835       1.253047  
1 1 1 11 16 22 o 14.785  0.5635 80.326    6.1063  77.635    9.8602   82.000    7.7770   14.471  0.9346 14.926  0.7109 -0.4547997     1.174224  
1 1 1 11 17 0  o 30.890  0.9355 351.035   21.136  299.016   36.268   377.790   26.010   28.346  1.7612 32.024  1.1111 0.000000       0.000000  
1 1 1 11 17 1  o 20.435  0.5035 153.133   7.5411  160.010   11.076   147.190   10.296   20.881  0.7237 20.028  0.7014 0.8531704      1.007800  
1 1 1 11 17 2  o 12.154  0.4651 54.168    4.1429  52.528    5.5544   56.223    6.2199   11.949  0.6365 12.359  0.6894 -0.4102974     0.9382716 
1 1 1 11 17 3  o 35.406  0.7388 460.091   19.173  469.462   24.913   446.476   30.027   35.747  0.9508 34.839  1.1759 0.9085960      1.512210  
1 1 1 11 17 4  o 21.429  0.5183 168.411   8.1407  173.416   10.779   161.766   12.420   21.739  0.6765 20.990  0.8073 0.7486134      1.053246  
1 1 1 11 17 5  o 32.558  0.6973 389.050   16.641  377.451   20.788   409.740   27.764   32.055  0.8848 33.373  1.1350 -1.317818      1.439152  
1 1 1 11 17 6  o 18.678  0.5027 127.956   6.8821  122.071   9.8332   133.607   9.6354   18.235  0.7357 19.079  0.6890 -0.8442097     1.007963  
1 1 1 11 17 7  o 16.127  0.5613 95.418    6.6353  119.572   13.254   87.338    7.6651   18.004  1.0084 15.426  0.6779 2.578748       1.215085  
1 1 1 11 17 8  o 26.995  0.7525 267.583   14.889  259.007   22.516   274.248   19.849   26.523  1.1582 27.309  0.9916 -0.7860889     1.524713  
1 1 1 11 17 9  o 39.533  0.8173 574.175   23.681  578.955   33.841   569.588   33.149   39.647  1.1645 39.327  1.1500 0.3195801      1.636668  
1 1 1 11 17 10 o 31.408  0.6806 362.212   15.669  374.745   23.030   351.411   21.380   31.914  0.9845 30.910  0.9437 1.004578       1.363760  
1 1 1 11 17 11 o 11.353  0.5102 47.287    4.2454  47.286    6.2027   47.288    5.8230   11.321  0.7518 11.326  0.7050 -0.4820824E-02 1.030618  
1 1 1 11 17 12 o 9.7605  0.5574 35.075    3.9715  42.245    5.9471   29.304    5.3355   10.696  0.7636 8.8904  0.8283 1.805291       1.126608  
1 1 1 11 17 13 o 22.523  0.5594 186.180   9.2347  181.513   12.867   191.137   13.262   22.223  0.7899 22.804  0.7934 -0.5812778     1.119603  
1 1 1 11 17 14 o 6.9384  0.7868 17.921    3.9305  8.9562    5.2580   29.277    5.9176   4.8661  1.3994 8.8723  0.9235 -4.006109      1.676630  
1 1 1 11 17 15 o 18.880  0.6895 130.945   9.5413  125.127   12.601   138.763   14.607   18.413  0.9367 19.379  1.0321 -0.9658928     1.393818  
1 1 1 11 17 16 o 12.611  0.9204 58.862    8.4489  64.567    13.410   55.107    10.880   13.127  1.4161 12.150  1.2391 0.9776373      1.881671  
1 1 1 11 17 17 o 28.544  0.7069 299.497   14.789  285.779   19.023   320.454   23.514   27.851  0.9319 29.464  1.0888 -1.613077      1.433137  
1 1 1 11 17 18 o 12.682  0.5417 59.066    5.0354  61.049    7.3944   57.350    6.8761   12.854  0.7886 12.461  0.7564 0.3928175      1.092748  
1 1 1 11 17 19 f 8.5419  0.6934 27.019    4.3038  40.549    6.5866   16.938    5.6854   10.451  0.8677 6.6592  1.2094 3.792280       1.488420  
1 1 1 11 17 20 o 21.402  0.5703 168.348   8.9465  165.747   12.801   170.832   12.509   21.202  0.8237 21.530  0.7927 -0.3275604     1.143154  
1 1 1 11 17 21 o 7.4798  0.9095 20.955    4.8838  9.6054    6.9277   32.169    6.8860   5.1073  1.6357 9.2688  1.0311 -4.161538      1.933521  
1 1 1 11 18 0  o 14.545  0.6580 78.061    6.9821  70.334    12.690   81.416    8.3616   13.653  1.2948 14.837  0.7737 0.000000       0.000000  
1 1 1 11 18 1  o 46.916  0.9456 809.226   32.517  821.282   46.675   797.856   45.327   47.188  1.3495 46.514  1.3295 0.6734772      1.894399  
1 1 1 11 18 2  o 33.409  0.7010 409.774   17.165  419.188   24.902   401.252   23.694   33.759  1.0064 33.032  0.9786 0.7268906      1.403733  
1 1 1 11 18 3  o 22.966  0.5377 193.502   9.0516  205.891   12.247   178.588   13.437   23.681  0.7056 22.047  0.8315 1.633774       1.090546  
1 1 1 11 18 4  f 17.350  0.5070 110.426   6.4476  112.188   8.9194   108.498   9.3310   17.481  0.6961 17.189  0.7406 0.2919292      1.016430  
1 1 1 11 18 5  f 33.669  0.7591 416.355   18.733  442.438   26.342   389.671   26.644   34.675  1.0364 32.531  1.1174 2.144081       1.524097  
1 1 1 11 18 6  o 20.767  0.5179 158.218   7.8829  160.103   11.476   156.534   10.847   20.878  0.7499 20.646  0.7168 0.2320080      1.037385  
1 1 1 11 18 7  o 38.722  1.0101 551.869   28.669  582.825   66.672   544.847   31.754   39.367  2.3209 38.454  1.1266 0.9125862      2.579898  
1 1 1 11 18 8  o 14.023  0.5540 72.166    5.6944  68.895    7.7242   76.061    8.4280   13.671  0.7740 14.363  0.8038 -0.6924620     1.115879  
1 1 1 11 18 9  o 14.042  0.4820 72.339    4.9612  69.423    7.0302   75.232    7.0024   13.730  0.7009 14.313  0.6675 -0.5829725     0.9678729 
1 1 1 11 18 10 o 16.274  0.4920 97.175    5.8691  112.855   9.0148   85.639    7.7323   17.528  0.7017 15.269  0.6909 2.258632       0.9847246 
1 1 1 11 18 11 o 7.3604  0.6812 20.069    3.6333  21.960    5.0470   18.034    5.2348   7.6713  0.9157 6.9163  1.0670 0.7550750      1.406015  
1 1 1 11 18 12 o 24.244  0.7528 216.030   13.378  199.972   16.332   248.778   23.322   23.305  0.9561 25.955  1.2259 -2.650169      1.554669  
1 1 1 11 18 13 o 15.167  0.5056 84.422    5.6211  81.304    7.9914   87.475    7.9081   14.873  0.7331 15.429  0.6993 -0.5560942     1.013088  
1 1 1 11 18 14 o 13.311  0.5530 65.041    5.3954  65.784    7.4930   64.240    7.7752   13.354  0.7688 13.191  0.8081 0.1627407      1.115361  
1 1 1 11 18 15 o 29.893  0.7984 328.754   17.492  374.064   27.457   297.805   22.693   31.813  1.1775 28.403  1.0901 3.410347       1.604613  
1 1 1 11 18 16 o 20.489  0.7222 154.400   10.846  145.636   20.275   157.914   12.837   19.754  1.4096 20.708  0.8458 -0.9541416     1.643857  
1 1 1 11 18 17 o 14.045  0.5336 72.451    5.4927  85.585    8.5344   63.164    7.1766   15.227  0.7671 13.078  0.7519 2.149502       1.074143  
1 1 1 11 18 18 o 22.339  0.5792 183.423   9.4833  188.954   13.921   178.633   12.954   22.636  0.8390 22.015  0.8028 0.6211128      1.161249  
1 1 1 11 18 19 o 17.423  0.5437 111.571   6.9438  112.552   10.304   110.754   9.3984   17.470  0.8047 17.338  0.7395 0.1316948      1.092906  
1 1 1 11 18 20 o 11.343  0.5920 47.443    4.9049  42.836    7.0639   51.732    6.8159   10.731  0.9066 11.819  0.7914 -1.087934      1.203374  
1 1 1 11 19 0  o 39.843  1.1590 585.001   33.780  539.094   62.156   604.244   40.242   37.941  2.2533 40.452  1.3607 0.000000       0.000000  
1 1 1 11 19 1  o 32.057  0.6791 377.414   15.957  370.302   22.272   384.914   22.872   31.721  0.9579 32.340  0.9649 -0.6188488     1.359668  
1 1 1 11 19 2  o 65.283  1.3029 1574.12   62.342  1549.80   86.675   1600.19   89.734   64.531  1.8325 65.552  1.8676 -1.021423      2.616494  
1 1 1 11 19 3  o 13.860  0.4768 70.474    4.8439  65.382    6.8996   75.422    6.8021   13.322  0.7091 14.332  0.6475 -1.009310      0.9602970 
1 1 1 11 19 4  o 37.483  0.7772 516.387   21.353  521.547   27.446   508.474   33.985   37.635  0.9950 37.110  1.2494 0.5250206      1.597197  
1 1 1 11 19 5  o 32.062  0.6922 377.606   16.266  352.007   22.011   408.405   24.143   30.921  0.9712 33.304  0.9891 -2.382318      1.386153  
1 1 1 11 19 6  o 24.882  0.6128 227.305   11.176  230.762   15.343   223.395   16.313   25.050  0.8356 24.640  0.9033 0.4101810      1.230497  
1 1 1 11 19 7  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 11 19 8  o 18.220  0.5516 121.857   7.3672  115.521   9.4773   131.531   11.711   17.730  0.7293 18.910  0.8449 -1.179960      1.116141  
1 1 1 11 19 9  o 21.742  0.5394 173.502   8.5956  166.762   12.043   180.501   12.272   21.298  0.7715 22.159  0.7556 -0.8614044     1.079856  
1 1 1 11 19 10 o 11.098  0.5188 45.204    4.2198  46.114    6.1375   44.388    5.8114   11.175  0.7537 10.966  0.7272 0.2091341      1.047319  
1 1 1 11 19 11 o 8.9829  0.5812 29.753    3.8064  30.689    5.4684   28.873    5.3016   9.0957  0.8294 8.8202  0.8298 0.2754889      1.173217  
1 1 1 11 19 12 o 26.040  0.6022 249.036   11.494  254.609   16.668   243.982   15.872   26.300  0.8647 25.748  0.8410 0.5516567      1.206239  
1 1 1 11 19 13 o 12.756  0.5099 59.732    4.7672  59.254    6.8653   60.177    6.6247   12.672  0.7424 12.774  0.7104 -0.1022854     1.027532  
1 1 1 11 19 14 o 16.007  0.5167 94.070    6.0625  90.757    8.6210   97.312    8.5272   15.706  0.7489 16.266  0.7152 -0.5600777     1.035547  
1 1 1 11 19 15 o 16.502  0.6223 100.104   7.5270  99.753    9.3452   100.751   12.700   16.459  0.7747 16.474  1.0573 -0.1530457E-01 1.310731  
1 1 1 11 19 16 o 9.4059  0.9514 33.011    6.4688  31.690    11.368   33.644    7.8667   9.0247  1.7818 9.4565  1.1592 -0.4317436     2.125690  
1 1 1 11 19 17 o 16.412  0.5307 98.990    6.3845  108.830   9.6478   91.322    8.5159   17.183  0.7660 15.744  0.7380 1.439506       1.063665  
1 1 1 11 19 18 o 12.791  0.5451 60.147    5.1101  60.327    7.5862   59.998    6.9142   12.760  0.8154 12.737  0.7439 0.2338409E-01  1.103710  
1 1 1 11 19 19 o 27.283  0.6457 273.980   12.912  300.347   19.833   254.585   17.010   28.495  0.9496 26.251  0.8841 2.244272       1.297431  
1 1 1 11 20 0  f 27.338  1.2459 276.734   24.847  0.0000    0.0000   276.734   24.847   27.338  1.2459 27.338  1.2459 0.000000       0.000000  
1 1 1 11 20 1  o 39.726  1.1636 582.590   33.880  582.590   33.880   0.0000    0.0000   39.726  1.1636 ?       ?      0.000000       1.163577  
1 1 1 11 20 2  o 19.596  0.5099 140.935   7.3236  150.338   10.942   133.306   9.8568   20.224  0.7382 19.046  0.7061 1.177677       1.021487  
1 1 1 11 20 3  o 13.581  0.4875 67.683    4.8527  51.875    6.6049   86.226    7.1534   11.854  0.7643 15.322  0.6370 -3.467748      0.9948924 
1 1 1 11 20 4  o 25.133  0.6152 231.974   11.334  244.374   15.948   219.322   16.109   25.772  0.8443 24.408  0.9004 1.363316       1.234343  
1 1 1 11 20 5  o 30.690  0.6637 346.040   14.931  332.971   20.703   360.204   21.552   30.067  0.9394 31.272  0.9403 -1.205275      1.329147  
1 1 1 11 20 6  f 25.347  0.6282 235.998   11.671  247.163   19.171   229.423   14.712   25.893  1.0101 24.974  0.8037 0.9196568      1.290874  
1 1 1 11 20 7  o 8.5606  0.7120 27.122    4.4271  24.968    6.8903   28.636    5.7773   8.1365  1.1906 8.7714  0.9119 -0.6349640     1.499726  
1 1 1 11 20 8  o 5.0355  0.9367 9.6397    3.3300  11.981    5.0445   7.8311    4.4333   5.5817  1.2626 4.5390  1.2782 1.042670       1.796622  
1 1 1 11 20 9  o 33.976  0.7243 424.446   18.037  435.642   26.286   414.484   24.796   34.361  1.0437 33.524  1.0091 0.8374481      1.451761  
1 1 1 11 20 10 o 32.893  0.7130 397.821   17.189  393.034   24.268   402.642   24.350   32.639  1.0144 33.038  1.0056 -0.3984375     1.428344  
1 1 1 11 20 11 o 32.985  0.7104 400.148   17.175  403.377   24.618   397.086   23.973   33.058  1.0160 32.803  0.9971 0.2544594      1.423515  
1 1 1 11 20 12 o 14.898  0.5007 81.489    5.4670  81.577    7.8533   81.406    7.6152   14.891  0.7195 14.877  0.6984 0.1397419E-01  1.002722  
1 1 1 11 20 13 o 25.990  0.6059 248.298   11.542  247.911   16.425   248.676   16.224   25.928  0.8643 25.971  0.8523 -0.4217339E-01 1.213825  
1 1 1 11 20 14 o 9.3376  0.6005 32.192    4.0880  35.266    5.9769   29.491    5.6038   9.7414  0.8455 8.8976  0.8704 0.8437281      1.213451  
1 1 1 11 20 15 o 10.112  0.7727 37.920    5.6835  30.576    7.3309   48.986    8.9984   9.0067  1.1357 11.443  1.0858 -2.436555      1.571293  
1 1 1 11 20 16 o 12.547  0.9199 58.531    8.4003  66.963    10.081   39.372    15.195   13.401  1.0344 9.9438  2.1477 3.456703       2.383764  
1 1 1 11 20 17 o 22.858  0.5848 192.222   9.7976  180.363   13.534   205.278   14.201   22.098  0.8356 23.578  0.8218 -1.479984      1.171998  
1 1 1 11 21 0  o 10.899  0.7053 44.142    5.5801  47.758    10.490   42.716    6.5897   11.154  1.3335 10.683  0.8542 0.000000       0.000000  
1 1 1 11 21 1  o 12.675  0.5247 58.977    4.8748  54.945    6.9437   62.896    6.8454   12.196  0.7809 13.059  0.7179 -0.8633356     1.060748  
1 1 1 11 21 2  o 45.835  0.9387 774.315   31.536  751.639   43.752   798.835   45.496   45.032  1.3256 46.419  1.3372 -1.387665      1.882873  
1 1 1 11 21 3  o 40.613  0.8361 607.263   24.890  615.589   35.872   599.532   34.564   40.792  1.1997 40.266  1.1711 0.5266495      1.676589  
1 1 1 11 21 4  o 17.540  0.4931 112.926   6.3390  122.308   11.271   108.585   7.6664   18.225  0.8437 17.192  0.6084 1.033398       1.040195  
1 1 1 11 21 5  o 13.867  0.5331 70.607    5.4180  69.069    8.7957   71.548    6.8777   13.665  0.8829 13.951  0.6726 -0.2867613     1.109917  
1 1 1 11 21 6  o 4.6725  1.1071 8.3898    3.7335  -1.0911   6.9148   12.291    4.4356   3.4097  1.4828 5.6720  1.1067 -2.262302      1.850248  
1 1 1 11 21 7  o 31.482  0.8548 365.098   19.725  350.904   29.905   376.028   26.243   30.753  1.3267 31.890  1.1227 -1.137548      1.738021  
1 1 1 11 21 8  o 7.6683  0.6854 21.796    3.8118  20.486    6.1899   22.596    4.8380   7.3474  1.1901 7.7838  0.8625 -0.4364634     1.469760  
1 1 1 11 21 9  o 33.006  0.8906 401.712   21.545  440.719   51.415   393.404   23.729   34.058  2.0694 32.639  0.9919 1.419460       2.294829  
1 1 1 11 21 10 o 20.162  0.6483 149.493   9.5798  160.399   21.554   146.809   10.694   20.700  1.4294 19.971  0.7306 0.7288837      1.605266  
1 1 1 11 21 11 o 21.943  0.6794 177.211   10.927  184.289   23.938   175.348   12.281   22.154  1.4827 21.815  0.7681 0.3399067      1.669832  
1 1 1 11 21 12 o 13.989  0.7116 72.268    7.2725  60.496    12.177   78.793    9.0670   12.670  1.3312 14.585  0.8518 -1.915602      1.580435  
1 1 1 11 21 13 o 27.237  0.8100 273.816   16.170  282.850   26.577   268.505   20.376   27.522  1.3175 26.911  1.0330 0.6103706      1.674166  
1 1 1 11 21 14 o 6.9041  0.9146 17.937    4.5145  19.508    6.1733   16.132    6.6190   7.1386  1.2239 6.4358  1.4392 0.7028542      1.889269  
1 1 1 11 21 15 o 22.065  0.8978 180.177   14.519  173.854   22.831   184.470   18.813   21.458  1.4604 22.226  1.1589 -0.7680473     1.864293  
1 1 1 11 21 16 o 5.1909  1.5457 10.310    6.3191  8.8613    8.0904   12.578    10.119   5.0694  1.7699 5.8748  1.9818 -0.8054070     2.657073  
1 1 1 11 22 0  o 29.972  0.9263 331.252   20.305  345.226   41.176   326.762   23.340   30.319  1.8692 29.736  1.0741 0.000000       0.000000  
1 1 1 11 22 1  o 26.692  0.6074 261.850   11.883  248.287   16.200   277.648   17.484   25.955  0.8516 27.444  0.8692 -1.488565      1.216832  
1 1 1 11 22 2  o 18.458  0.4997 125.099   6.7603  122.016   9.6318   128.093   9.4907   18.209  0.7217 18.660  0.6939 -0.4508591     1.001159  
1 1 1 11 22 3  o 18.413  0.4970 124.503   6.7083  123.270   9.7319   125.619   9.2596   18.301  0.7255 18.479  0.6836 -0.1779900     0.9968433 
1 1 1 11 22 4  o 6.6445  0.7332 16.447    3.5115  13.763    6.1310   17.757    4.2838   5.9617  1.4228 6.8861  0.8680 -0.9244461     1.666707  
1 1 1 11 22 5  o 19.704  0.5278 142.624   7.6229  146.537   13.151   140.643   9.3548   19.928  0.9003 19.555  0.6527 0.3733711      1.112013  
1 1 1 11 22 6  o 2.6839  1.1441 -0.0234   3.9618  0.8725    10.712   -0.1654   4.2642   4.4652  1.8914 2.7608  1.1821 1.704329       2.230469  
1 1 1 11 22 7  o 18.847  0.6357 130.663   8.7820  132.414   13.650   129.426   11.471   18.899  0.9889 18.733  0.8355 0.1658649      1.294541  
1 1 1 11 22 8  o 16.845  0.5056 104.258   6.2429  103.569   9.1229   104.865   8.5613   16.765  0.7424 16.876  0.6921 -0.1106091     1.015012  
1 1 1 11 22 9  o 23.329  0.5713 200.145   9.7679  215.571   14.767   188.145   13.025   24.164  0.8337 22.584  0.7868 1.580318       1.146409  
1 1 1 11 22 10 o 8.7888  0.6208 28.572    3.9736  33.427    6.0659   24.923    5.2591   9.4683  0.8843 8.1623  0.8937 1.306003       1.257221  
1 1 1 11 22 11 o 12.576  0.5185 58.152    4.7799  56.999    7.0760   59.120    6.4824   12.401  0.7825 12.644  0.7022 -0.2429123     1.051366  
1 1 1 11 22 12 o 15.374  0.5207 86.915    5.8672  83.880    8.4161   89.785    8.1836   15.054  0.7653 15.602  0.7156 -0.5477161     1.047753  
1 1 1 11 22 13 o 27.745  0.6404 283.627   13.022  282.888   18.562   284.344   18.273   27.631  0.9166 27.707  0.8998 -0.7654762E-01 1.284415  
1 1 1 11 22 14 o 18.851  0.5434 130.741   7.5090  127.503   10.634   133.961   10.604   18.579  0.7809 19.047  0.7596 -0.4687347     1.089411  
1 1 1 11 23 0  o 20.409  0.7413 153.693   11.057  143.134   20.391   158.090   13.159   19.501  1.4448 20.674  0.8719 0.000000       0.000000  
1 1 1 11 23 1  o 11.207  0.5078 46.154    4.1712  50.613    6.1243   42.296    5.6967   11.699  0.7177 10.688  0.7316 1.010266       1.024840  
1 1 1 11 23 2  o 8.1615  0.6092 24.643    3.6183  28.781    5.3923   21.253    4.8800   8.7885  0.8476 7.5303  0.9021 1.258220       1.237840  
1 1 1 11 23 3  o 26.918  0.6525 266.790   12.875  272.070   20.406   263.299   16.594   27.090  1.0277 26.699  0.8480 0.3914356      1.332368  
1 1 1 11 23 4  o 13.755  0.5010 69.531    5.0511  71.246    8.7913   68.686    6.1715   13.857  0.8700 13.661  0.6164 0.1963348      1.066184  
1 1 1 11 23 5  o 32.253  0.6991 383.395   16.526  381.721   27.357   384.358   20.737   32.022  1.1656 32.241  0.8775 -0.2192154     1.458986  
1 1 1 11 23 6  o 21.328  0.6762 167.626   10.571  0.0000    0.0000   167.626   10.571   ?       ?      21.328  0.6762 0.000000       0.6762367 
1 1 1 11 23 7  o 13.183  0.6274 64.012    6.0622  52.306    8.7501   74.817    8.4066   11.827  1.0193 14.207  0.8107 -2.379332      1.302381  
1 1 1 11 23 8  f 24.012  0.5847 212.250   10.291  219.674   15.247   206.039   13.947   24.367  0.8537 23.611  0.8059 0.7561741      1.174023  
1 1 1 11 23 9  o 14.589  0.5177 78.291    5.5363  76.436    8.0574   79.950    7.6200   14.364  0.7681 14.720  0.7063 -0.3559189     1.043437  
1 1 1 11 23 10 o 13.857  0.5202 70.643    5.2838  72.839    7.9093   68.873    7.1007   14.018  0.7728 13.641  0.7127 0.3763494      1.051230  
1 1 1 11 23 11 o 36.102  0.7738 481.761   20.475  466.287   28.348   498.638   29.605   35.368  1.0935 36.568  1.1045 -1.200092      1.554267  
1 1 1 11 24 0  o 8.0383  0.9506 24.798    5.3947  20.775    10.071   26.417    6.3885   6.4673  2.3225 8.2405  1.1152 0.000000       0.000000  
1 1 1 11 24 1  o 24.671  0.5800 224.128   10.488  233.267   15.432   216.285   14.296   25.104  0.8387 24.182  0.8066 0.9220428      1.163616  
1 1 1 11 24 2  o 17.466  0.5055 112.209   6.4710  106.502   9.1697   117.871   9.1332   16.981  0.7367 17.872  0.6972 -0.8906364     1.014340  
1 1 1 11 24 3  o 6.6831  0.7665 16.718    3.6870  16.484    6.1481   16.850    4.6074   6.5114  1.3331 6.6684  0.9712 -0.1570530     1.649343  
1 1 1 11 24 4  o 12.375  0.5322 56.354    4.8268  61.375    8.5569   54.010    5.8456   12.831  0.9159 12.083  0.6626 0.7475786      1.130443  
1 1 1 11 24 5  o 7.5178  0.7072 21.049    3.8511  10.233    6.6574   26.488    4.7213   5.1755  1.5961 8.4293  0.7728 -3.253852      1.773363  
1 1 1 11 24 6  o 20.900  0.6768 161.220   10.368  0.0000    0.0000   161.220   10.368   ?       ?      20.900  0.6768 0.000000       0.6767814 
1 1 1 11 24 7  o 3.1637  1.2116 2.6077    3.9289  -0.0615   6.3328   4.2779    5.0095   3.3536  1.4384 3.7488  1.3824 -0.3951485     1.994983  
1 1 1 11 24 8  o 2.4961  1.0664 -0.0347   3.4558  3.1831    6.1615   -1.5116   4.1742   3.7860  1.4978 2.5179  1.1211 1.268040       1.870907  
1 1 1 11 24 9  o 14.982  0.5189 82.607    5.6978  87.423    8.7101   79.004    7.5332   15.354  0.7765 14.627  0.7027 0.7276926      1.047200  
1 1 1 11 25 0  o 10.511  0.7664 41.327    5.8318  28.943    10.757   46.481    6.9402   8.0787  2.1023 11.129  0.8628 0.000000       0.000000  
1 1 1 11 25 1  o 5.7494  0.8361 12.505    3.4200  12.671    4.9168   12.348    4.7603   5.7063  1.2129 5.6363  1.1896 0.6999826E-01  1.698958  
1 1 1 11 25 2  o 6.9872  0.7585 18.272    3.8222  19.392    6.0314   17.520    4.9411   7.0970  1.2024 6.7821  1.0260 0.3149152      1.580688  
1 1 1 11 25 3  o 5.0732  0.9928 9.9069    3.5594  4.8369    5.7556   13.047    4.5294   3.9897  1.4797 5.8161  1.1029 -1.826400      1.845447  
1 1 1 11 25 4  o 7.5858  0.7194 21.459    3.9521  22.476    6.8055   20.942    4.8546   7.6368  1.2598 7.4549  0.9071 0.1818566      1.552385  
1 1 1 12 0  0  o 83.921  3.3210 2596.26   203.549 2844.73   313.432  2415.04   267.677  87.577  4.9183 80.703  4.5585 0.000000       0.000000  
1 1 1 12 0  1  o 188.291 5.2581 13102.30  724.392 12696.20  986.417  13577.69  1067.24  184.618 7.3157 190.803 7.6593 0.000000       0.000000  
1 1 1 12 0  2  o 112.921 3.1319 4693.92   258.765 4468.77   348.505  4970.57   386.305  109.942 4.3401 115.927 4.5624 0.000000       0.000000  
1 1 1 12 0  3  o 124.933 3.5062 5749.29   320.495 6234.93   492.699  5393.06   421.973  129.734 5.2004 120.719 4.7861 0.000000       0.000000  
1 1 1 12 0  4  o 17.420  0.6827 111.738   8.6867  106.097   12.074   117.791   12.508   16.928  0.9806 17.849  0.9625 0.000000       0.000000  
1 1 1 12 0  5  o 60.194  1.7065 1331.97   75.156  1212.03   96.443   1517.42   119.927  57.336  2.3033 64.147  2.5600 0.000000       0.000000  
1 1 1 12 0  6  o 42.598  1.2298 666.914   38.325  618.743   50.621   731.610   58.664   40.971  1.6922 44.554  1.8031 0.000000       0.000000  
1 1 1 12 0  7  o 3.6978  1.6882 7.2877    4.9763  6.2097    8.6690   7.8175    6.0773   3.6353  2.0740 3.8073  1.8531 0.000000       0.000000  
1 1 1 12 0  8  o 62.468  2.4954 1439.05   113.841 1384.43   154.468  1503.98   168.426  61.080  3.4760 63.652  3.6372 0.000000       0.000000  
1 1 1 12 0  9  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 12 0  10 f 117.573 4.6407 5118.71   398.503 0.0000    0.0000   5118.71   398.503  117.573 4.6407 117.573 4.6407 0.000000       0.000000  
1 1 1 12 0  11 o 29.689  0.9299 324.056   20.191  276.536   34.303   349.248   24.976   27.295  1.7306 30.805  1.1094 0.000000       0.000000  
1 1 1 12 0  12 o 7.4739  1.0571 21.672    5.4571  26.574    9.2253   19.034    6.7682   7.9648  1.8131 6.7130  1.5838 0.000000       0.000000  
1 1 1 12 0  13 o 3.0817  1.6771 4.8860    5.3561  20.880    9.0476   -3.7438   6.6458   6.7507  2.0887 2.0968  1.4253 0.000000       0.000000  
1 1 1 12 0  14 o 165.856 4.6395 10192.77  563.000 8927.57   983.661  10809.15  686.579  152.951 8.8419 170.431 5.5092 0.000000       0.000000  
1 1 1 12 0  15 o 107.612 2.9950 4271.55   235.816 4412.71   485.653  4228.00   269.751  108.268 6.1657 106.948 3.4493 0.000000       0.000000  
1 1 1 12 0  16 o 114.144 3.1818 4812.72   265.729 4840.94   532.886  4803.38   306.564  113.092 6.4773 113.881 3.6814 0.000000       0.000000  
1 1 1 12 0  17 o 63.570  1.7985 1487.83   83.648  1487.07   165.865  1488.08   96.869   63.114  3.6125 63.525  2.0856 0.000000       0.000000  
1 1 1 12 0  18 o 46.696  1.3643 802.429   46.604  834.050   94.521   792.273   53.568   47.318  2.7465 46.366  1.5804 0.000000       0.000000  
1 1 1 12 0  19 o 36.687  1.5791 497.261   42.284  509.031   59.239   485.036   60.373   36.981  2.2034 36.063  2.3057 0.000000       0.000000  
1 1 1 12 0  20 o 59.921  1.7192 1323.78   75.367  1236.36   139.223  1360.02   89.636   57.418  3.3338 60.669  2.0208 0.000000       0.000000  
1 1 1 12 0  21 o 50.138  1.4542 926.194   53.339  962.871   108.760  914.579   61.205   50.713  2.9488 49.777  1.6819 0.000000       0.000000  
1 1 1 12 0  22 o 25.747  0.8878 244.093   16.709  237.877   22.171   252.266   25.421   25.366  1.1985 26.101  1.3368 0.000000       0.000000  
1 1 1 12 0  23 o 80.389  2.2706 2393.17   133.549 2397.67   188.467  2388.63   189.268  80.045  3.2242 79.883  3.2447 0.000000       0.000000  
1 1 1 12 0  24 o 53.419  1.5555 1052.91   60.786  996.671   81.139   1124.84   91.768   51.808  2.1451 55.008  2.2850 0.000000       0.000000  
1 1 1 12 0  25 o 19.792  0.8362 144.533   12.080  138.281   15.551   154.049   19.184   19.305  1.1073 20.343  1.2987 0.000000       0.000000  
1 1 1 12 0  26 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 12 0  27 o 10.596  1.0178 42.390    7.7370  37.375    9.4586   52.530    13.450   9.7866  1.4020 11.579  1.6900 0.000000       0.000000  
1 1 1 12 1  0  o 193.025 5.3543 13772.34  756.211 13853.11  1075.51  13693.36  1063.48  192.743 7.6403 191.641 7.5983 0.000000       0.000000  
1 1 1 12 1  1  o 74.047  1.4731 2011.33   79.950  2084.30   117.033  1947.48   109.477  75.339  2.1194 72.829  2.0508 2.509979       2.949186  
1 1 1 12 1  2  o 151.875 3.1802 8491.29   354.015 8426.43   537.359  8541.02   470.569  150.844 4.8602 152.060 4.2221 -1.216171      6.437995  
1 1 1 12 1  3  o 54.242  1.2605 1079.02   50.112  1131.05   74.842   1036.74   67.469   55.512  1.8394 53.152  1.7318 2.360291       2.526402  
1 1 1 12 1  4  o 49.279  0.9904 890.379   35.772  837.219   47.577   959.518   54.258   47.776  1.3586 51.144  1.4474 -3.367775      1.985144  
1 1 1 12 1  5  o 96.551  2.1944 3423.86   155.290 3987.17   309.965  3235.10   179.432  103.912 4.0697 93.809  2.6096 10.10371       4.834531  
1 1 1 12 1  6  o 89.738  1.7599 2955.48   115.757 2927.42   162.474  2984.40   164.966  89.248  2.4837 90.110  2.4977 -0.8629074     3.522414  
1 1 1 12 1  7  o 82.681  1.6358 2508.46   99.134  2439.10   136.494  2585.90   144.218  81.481  2.2855 83.892  2.3454 -2.410614      3.274815  
1 1 1 12 1  8  o 16.642  0.5874 101.520   7.1658  95.308    12.257   104.746   8.8325   16.088  1.0451 16.904  0.7129 -0.8157043     1.265050  
1 1 1 12 1  9  o 47.595  1.9289 831.757   67.291  791.000   89.985   883.466   101.356  46.299  2.6628 48.918  2.8391 -2.618179      3.892429  
1 1 1 12 1  10 o 81.864  2.2800 2462.98   136.805 2571.96   201.203  2369.27   186.568  83.530  3.2863 80.186  3.1744 3.343407       4.569082  
1 1 1 12 1  11 o 39.509  0.8221 572.290   23.806  603.796   35.283   545.960   32.255   40.574  1.1864 38.583  1.1406 1.990955       1.645733  
1 1 1 12 1  12 o 12.055  0.5350 53.265    4.7267  50.806    6.5273   55.977    6.8538   11.747  0.7622 12.333  0.7619 -0.5857878     1.077713  
1 1 1 12 1  13 o 119.720 2.3520 5273.00   206.390 5204.12   287.290  5346.48   296.697  118.713 3.3017 120.309 3.3646 -1.595215      4.714026  
1 1 1 12 1  14 o 54.955  1.1105 1107.90   44.729  1129.30   64.189   1087.69   62.364   55.454  1.5792 54.424  1.5634 1.030037       2.222182  
1 1 1 12 1  15 o 47.206  0.9681 817.374   33.496  771.592   44.653   876.288   50.654   45.847  1.3288 48.853  1.4146 -3.006126      1.940866  
1 1 1 12 1  16 o 44.317  0.9093 720.425   29.537  714.654   41.476   726.365   42.074   44.119  1.2826 44.478  1.2906 -0.3595009     1.819538  
1 1 1 12 1  17 o 80.619  1.5967 2390.40   94.350  2371.85   132.666  2409.38   134.209  80.164  2.2579 80.794  2.2663 -0.6296616     3.199096  
1 1 1 12 1  18 o 44.493  0.9167 726.556   29.896  727.685   42.388   725.439   42.171   44.495  1.2997 44.427  1.2951 0.6824875E-01  1.834792  
1 1 1 12 1  19 o 35.441  0.9744 461.254   25.312  420.203   37.359   496.091   34.415   33.780  1.5089 36.729  1.2784 -2.948616      1.977611  
1 1 1 12 1  20 o 42.611  1.0231 667.110   31.954  659.022   45.088   675.272   45.291   42.297  1.4544 42.817  1.4432 -0.5199738     2.048876  
1 1 1 12 1  21 o 7.7138  0.7375 22.037    4.1187  21.336    5.7572   22.773    5.8946   7.5438  1.0713 7.8004  1.0583 -0.2565923     1.505906  
1 1 1 12 1  22 o 15.323  0.5598 86.128    6.2873  83.365    10.048   87.907    8.0605   15.036  0.9161 15.476  0.7106 -0.4400902     1.159344  
1 1 1 12 1  23 o 40.323  0.8552 597.267   25.274  578.230   34.694   618.795   36.895   39.632  1.1943 40.994  1.2279 -1.361404      1.712939  
1 1 1 12 1  24 o 29.277  0.6803 314.636   14.598  335.188   21.635   297.461   19.778   30.191  0.9777 28.444  0.9487 1.746960       1.362282  
1 1 1 12 1  25 o 8.7690  0.7467 28.451    4.7536  26.692    6.6130   30.332    6.8380   8.4432  1.0943 9.0156  1.0547 -0.5723438     1.519861  
1 1 1 12 1  26 o 37.023  1.3703 507.206   37.186  430.801   56.096   567.101   49.667   33.765  2.2800 39.035  1.7359 -5.269897      2.865622  
1 1 1 12 1  27 o 15.957  0.5993 93.504    7.0086  93.754    9.8042   93.243    10.023   15.940  0.8421 15.894  0.8636 0.4636002E-01  1.206254  
1 1 1 12 2  0  o 64.798  1.8170 1543.54   86.143  1478.33   116.968  1620.83   127.343  63.317  2.5296 66.297  2.6300 0.000000       0.000000  
1 1 1 12 2  1  o 62.205  1.2381 1419.07   56.451  1384.18   78.100   1457.25   81.688   61.416  1.7350 63.014  1.7687 -1.598442      2.477556  
1 1 1 12 2  2  o 53.441  1.0733 1047.20   42.043  1140.95   63.851   975.448   55.862   55.766  1.5621 51.566  1.4780 4.200127       2.150513  
1 1 1 12 2  3  o 120.529 2.3652 5337.48   208.953 5268.99   291.885  5409.48   299.261  119.605 3.3295 121.182 3.3692 -1.576797      4.736825  
1 1 1 12 2  4  o 35.772  0.7426 469.070   19.470  455.296   26.885   484.260   28.233   35.238  1.0409 36.341  1.0599 -1.103260      1.485600  
1 1 1 12 2  5  o 193.323 3.8014 13788.16  538.649 13247.35  731.612  14428.32  795.982  188.911 5.2838 197.041 5.5114 -8.130386      7.635060  
1 1 1 12 2  6  o 68.078  1.3560 1699.97   67.662  1622.45   81.932   1866.23   119.986  66.493  1.6811 71.272  2.2968 -4.779793      2.846323  
1 1 1 12 2  7  o 22.704  0.5478 188.935   9.1168  182.209   12.578   196.381   13.233   22.295  0.7697 23.145  0.7801 -0.8506813     1.095873  
1 1 1 12 2  8  o 100.171 2.2805 3686.75   167.437 3469.27   271.796  3819.77   212.561  96.947  3.8250 101.890 2.8462 -4.942177      4.767742  
1 1 1 12 2  9  o 98.484  3.8755 3582.05   279.752 3701.88   407.763  3475.49   384.517  99.549  5.6113 96.497  5.4589 3.051834       7.828581  
1 1 1 12 2  10 o 151.500 3.4418 8466.56   382.189 8882.89   563.484  8111.86   520.110  154.636 4.9715 147.840 4.7998 6.795959       6.910427  
1 1 1 12 2  11 o 151.711 2.9686 8478.10   330.099 8342.42   459.018  8623.42   475.055  150.121 4.1716 152.600 4.2472 -2.479416      5.953294  
1 1 1 12 2  12 o 87.241  1.7179 2794.48   109.853 2708.49   150.250  2893.23   161.020  85.814  2.3888 88.680  2.4773 -2.866203      3.441375  
1 1 1 12 2  13 o 54.949  1.1043 1107.50   44.476  1064.76   60.469   1157.88   65.648   53.856  1.5318 56.158  1.5949 -2.301628      2.211386  
1 1 1 12 2  14 o 19.654  0.5308 141.592   7.6460  138.746   10.753   144.504   10.874   19.453  0.7542 19.852  0.7473 -0.3996143     1.061723  
1 1 1 12 2  15 o 45.297  0.9257 752.570   30.734  779.607   44.817   728.570   42.226   46.084  1.3268 44.552  1.2931 1.532101       1.852745  
1 1 1 12 2  16 o 41.535  0.8594 632.774   26.164  660.121   38.509   609.326   35.658   42.403  1.2390 40.742  1.1941 1.661507       1.720773  
1 1 1 12 2  17 o 12.668  0.5376 58.838    4.9919  52.681    6.8575   65.779    7.2809   11.958  0.7868 13.371  0.7459 -1.412779      1.084124  
1 1 1 12 2  18 o 30.320  0.6737 337.177   14.973  335.063   21.114   339.315   21.236   30.212  0.9535 30.403  0.9529 -0.1911240     1.348045  
1 1 1 12 2  19 o 16.613  0.7473 101.263   9.0992  104.378   15.914   99.750    11.091   16.796  1.3029 16.457  0.9232 0.3385620      1.596809  
1 1 1 12 2  20 o 46.799  1.1197 805.154   38.407  876.757   58.464   750.791   50.942   48.749  1.6362 45.129  1.5401 3.620613       2.246992  
1 1 1 12 2  21 o 23.569  0.6361 203.808   10.989  217.253   17.651   195.299   14.042   24.315  0.9904 23.063  0.8307 1.252119       1.292633  
1 1 1 12 2  22 o 28.886  0.6629 306.189   14.034  294.254   22.405   313.896   18.004   28.287  1.0806 29.236  0.8402 -0.9487400     1.368814  
1 1 1 12 2  23 o 23.928  0.6087 210.077   10.676  228.463   15.975   195.239   14.352   24.938  0.8740 23.055  0.8493 1.882919       1.218698  
1 1 1 12 2  24 o 34.636  0.7614 440.578   19.331  438.323   27.238   442.866   27.439   34.512  1.0768 34.690  1.0792 -0.1780663     1.524479  
1 1 1 12 2  25 f 12.372  0.6332 56.345    5.7231  55.893    7.9362   56.835    8.2608   12.297  0.8865 12.397  0.9156 -0.1001968     1.274430  
1 1 1 12 2  26 o 16.011  0.9554 94.733    11.161  85.917    20.416   98.491    13.330   15.060  1.8913 16.302  1.1224 -1.242260      2.199258  
1 1 1 12 2  27 o 13.333  0.6651 65.315    6.4998  60.748    8.6706   71.174    9.8204   12.810  0.9298 13.865  0.9725 -1.054979      1.345518  
1 1 1 12 3  0  o 72.479  2.0203 1931.49   107.142 1863.31   146.235  2010.52   157.425  71.074  2.8172 73.824  2.9197 0.000000       0.000000  
1 1 1 12 3  1  o 65.510  1.3059 1574.02   62.707  1562.61   88.859   1585.34   88.504   65.247  1.8581 65.720  1.8373 -0.4738922     2.613057  
1 1 1 12 3  2  o 157.204 3.0953 9096.61   356.656 8155.76   449.709  10691.59  585.530  148.599 4.1289 169.945 4.7007 -21.34552      6.256524  
1 1 1 12 3  3  o 71.932  1.4230 1898.02   75.024  1995.13   111.013  1816.38   101.786  73.712  2.0547 70.338  1.9743 3.374321       2.849549  
1 1 1 12 3  4  o 104.849 2.0609 4036.79   158.379 3909.25   216.669  4183.14   232.089  103.084 2.8676 106.619 2.9699 -3.535263      4.128367  
1 1 1 12 3  5  o 73.573  1.5654 1986.03   84.414  1982.31   111.372  1991.05   129.407  73.472  2.0681 73.609  2.3985 -0.1361923     3.167027  
1 1 1 12 3  6  o 107.306 2.1074 4228.83   165.752 4161.90   207.057  4348.24   276.570  106.388 2.6553 108.614 3.4741 -2.226135      4.372627  
1 1 1 12 3  7  o 134.745 2.6434 6676.50   261.069 6600.62   366.368  6754.79   372.115  133.752 3.7371 135.301 3.7523 -1.549286      5.295803  
1 1 1 12 3  8  f 108.035 2.4503 4290.28   194.028 4384.66   341.701  4245.37   235.714  108.880 4.2817 107.388 2.9947 1.492569       5.225043  
1 1 1 12 3  9  o 220.548 6.2188 18192.33  1005.28 19086.11  1215.17  16254.17  1789.43  224.987 7.3688 202.579 12.107 22.40756       14.17305  
1 1 1 12 3  10 o 51.485  1.3107 972.382   49.463  927.789   61.131   1056.94   84.176   50.276  1.6589 53.634  2.1413 -3.357586      2.708676  
1 1 1 12 3  11 o 65.027  1.2915 1551.18   61.553  1566.62   87.900   1536.33   86.223   65.316  1.8361 64.683  1.8187 0.6333542      2.584298  
1 1 1 12 3  12 o 175.147 3.4299 11329.25  440.314 11271.49  619.877  11388.08  625.559  174.029 4.8596 174.916 4.8793 -0.8869324     6.886490  
1 1 1 12 3  13 o 36.838  0.7729 497.556   20.868  491.197   29.227   504.170   29.806   36.594  1.0897 37.074  1.0969 -0.4798889     1.546128  
1 1 1 12 3  14 o 22.621  0.5708 187.590   9.4646  185.685   13.572   189.393   13.205   22.503  0.8229 22.727  0.7927 -0.2240849     1.142610  
1 1 1 12 3  15 o 80.930  1.6013 2406.53   94.987  2387.95   133.042  2425.86   135.661  80.516  2.2544 81.148  2.2809 -0.6318436     3.206956  
1 1 1 12 3  16 o 58.131  1.1694 1240.50   49.826  1221.73   69.709   1260.11   71.246   57.642  1.6499 58.539  1.6605 -0.8971138     2.340835  
1 1 1 12 3  17 o 46.508  0.9547 793.788   32.544  763.333   44.372   829.241   47.875   45.577  1.3283 47.500  1.3751 -1.922329      1.911853  
1 1 1 12 3  18 o 50.778  1.0421 946.850   38.785  998.728   57.082   902.359   52.861   52.094  1.4950 49.522  1.4563 2.571766       2.087052  
1 1 1 12 3  19 f 101.867 2.3421 3848.67   174.870 3837.96   247.795  3859.29   246.816  101.103 3.3438 101.400 3.3209 -0.2972565     4.712702  
1 1 1 12 3  20 o 50.620  1.3118 943.261   48.672  915.553   61.179   991.040   80.337   49.801  1.6760 51.702  2.1200 -1.900421      2.702458  
1 1 1 12 3  21 o 14.192  0.5633 73.881    5.8595  76.029    9.6277   72.617    7.3846   14.357  0.9197 14.048  0.7196 0.3092270      1.167793  
1 1 1 12 3  22 o 17.880  0.7217 117.352   9.4584  118.774   16.257   116.624   11.629   17.918  1.2456 17.818  0.8905 0.1004200      1.531146  
1 1 1 12 3  23 o 29.708  0.7259 323.989   15.807  331.100   24.723   319.071   20.558   29.996  1.1245 29.463  0.9520 0.5328178      1.473337  
1 1 1 12 3  24 o 14.892  0.5897 81.384    6.4374  93.867    9.5262   70.893    8.7332   15.964  0.8169 13.863  0.8638 2.101066       1.188895  
1 1 1 12 3  25 o 37.944  0.8221 529.264   22.864  561.966   34.078   502.489   30.835   39.033  1.1911 36.919  1.1395 2.113232       1.648410  
1 1 1 12 3  26 o 9.5803  0.7358 33.931    5.1273  36.433    7.2818   31.471    7.2208   9.8915  1.0190 9.1733  1.0956 0.7182035      1.496206  
1 1 1 12 3  27 o 12.367  0.6432 56.336    5.8105  56.782    8.2749   55.903    8.1608   12.383  0.9182 12.287  0.9126 0.9592247E-01  1.294627  
1 1 1 12 4  0  o 123.812 3.4670 5646.83   314.072 6132.35   484.010  5293.71   412.776  128.654 5.1515 119.599 4.7255 0.000000       0.000000  
1 1 1 12 4  1  o 124.607 2.4378 5706.10   222.653 5950.59   328.094  5497.40   303.141  127.057 3.5230 122.150 3.3859 4.907196       4.886307  
1 1 1 12 4  2  o 51.072  1.0278 956.378   38.475  918.738   52.655   999.497   56.357   50.045  1.4355 52.197  1.4731 -2.151871      2.056817  
1 1 1 12 4  3  o 111.496 2.1875 4566.13   178.769 4645.94   257.418  4491.79   248.455  112.334 3.1264 110.464 3.0686 1.870056       4.380757  
1 1 1 12 4  4  o 114.261 2.2454 4796.12   188.049 4608.61   255.548  5017.56   277.717  111.881 3.1163 116.717 3.2463 -4.835617      4.499952  
1 1 1 12 4  5  o 132.724 2.6034 6476.84   253.262 6286.29   347.869  6691.75   369.438  130.555 3.6353 134.674 3.7426 -4.119110      5.217536  
1 1 1 12 4  6  o 67.457  1.3369 1669.09   66.102  1601.85   80.149   1812.09   116.885  66.069  1.6551 70.230  2.2707 -4.160835      2.809879  
1 1 1 12 4  7  o 85.184  1.6806 2663.10   104.933 2567.06   143.359  2773.95   154.009  83.579  2.3402 86.873  2.4187 -3.294426      3.365491  
1 1 1 12 4  8  o 62.502  1.4426 1433.21   66.086  1304.39   104.379  1519.40   85.379   59.570  2.3906 64.334  1.8106 -4.763378      2.998882  
1 1 1 12 4  9  f 148.911 4.1336 8203.91   451.169 8230.82   522.722  8125.29   893.394  148.915 4.7891 145.850 8.3925 3.064713       9.662801  
1 1 1 12 4  10 o 62.413  1.7816 1430.21   81.501  1611.35   104.558  1149.74   130.106  66.219  2.1542 55.755  3.1970 10.46385       3.855087  
1 1 1 12 4  11 o 42.538  1.1063 663.647   34.493  608.396   40.870   800.430   64.306   40.721  1.3693 46.683  1.8794 -5.962467      2.325303  
1 1 1 12 4  12 o 151.453 2.9731 8458.05   330.046 8654.43   478.730  8280.17   455.636  152.702 4.2772 149.415 4.1605 3.287674       5.966951  
1 1 1 12 4  13 o 97.332  1.9139 3482.07   136.537 3500.33   194.535  3464.34   191.682  97.440  2.7238 96.943  2.6976 0.4966888      3.833604  
1 1 1 12 4  14 o 95.973  2.0364 3388.54   143.252 3340.32   187.909  3455.46   221.351  95.151  2.6943 96.666  3.1241 -1.514854      4.125493  
1 1 1 12 4  15 o 73.921  1.4778 2007.25   80.067  1872.19   106.200  2185.14   121.876  71.316  2.0317 77.025  2.1588 -5.708511      2.964452  
1 1 1 12 4  16 o 49.764  1.0111 908.818   36.879  901.471   51.954   916.280   52.358   49.529  1.4311 49.934  1.4306 -0.4052124     2.023517  
1 1 1 12 4  17 o 59.462  1.3747 1299.79   59.915  1322.09   74.635   1259.37   100.479  59.922  1.6993 58.359  2.3490 1.562923       2.899246  
1 1 1 12 4  18 o 33.384  0.9452 409.160   23.128  460.263   32.666   357.796   32.749   35.382  1.2596 31.182  1.4329 4.200731       1.907838  
1 1 1 12 4  19 o 45.567  1.0890 763.005   36.371  737.805   49.427   792.764   53.712   44.753  1.5068 46.378  1.5800 -1.625034      2.183345  
1 1 1 12 4  20 f 41.930  1.2614 647.072   38.767  638.219   44.763   673.641   77.543   41.611  1.4677 42.447  2.5035 -0.8362312     2.901983  
1 1 1 12 4  21 o 58.904  1.1863 1276.67   51.216  1293.61   84.844   1266.96   64.241   59.090  1.9590 58.610  1.4954 0.4793167      2.464510  
1 1 1 12 4  22 o 52.684  1.0759 1020.86   41.545  1041.59   69.425   1009.29   51.855   53.051  1.7854 52.331  1.3519 0.7197304      2.239526  
1 1 1 12 4  23 o 24.042  0.6611 212.140   11.650  190.354   21.282   221.462   13.922   22.692  1.2848 24.558  0.7734 -1.865570      1.499639  
1 1 1 12 4  24 o 36.459  0.8483 488.519   22.670  482.189   34.191   493.485   30.285   36.156  1.2902 36.605  1.1288 -0.4486313     1.714246  
1 1 1 12 4  25 o 25.173  0.7352 232.836   13.566  246.479   19.661   220.439   18.741   25.867  1.0370 24.462  1.0453 1.405537       1.472385  
1 1 1 12 4  26 o 8.7073  0.7733 28.095    4.8841  26.731    6.7720   29.573    7.0507   8.4385  1.1228 8.8858  1.1065 -0.4472666     1.576399  
1 1 1 12 4  27 o 15.275  0.6307 85.708    7.0611  85.220    9.4594   86.322    10.611   15.193  0.8529 15.278  0.9524 -0.8452415E-01 1.278450  
1 1 1 12 5  0  o 42.672  1.2296 669.229   38.386  715.590   57.571   632.121   51.507   44.063  1.7893 41.412  1.7034 0.000000       0.000000  
1 1 1 12 5  1  o 72.113  1.4269 1907.70   75.422  1825.10   101.967  2007.48   112.072  70.504  1.9732 73.935  2.0681 -3.431915      2.858389  
1 1 1 12 5  2  o 49.827  1.0022 910.321   36.602  859.022   48.960   975.321   55.111   48.392  1.3803 51.561  1.4583 -3.169098      2.007943  
1 1 1 12 5  3  o 39.989  0.8801 586.254   25.794  575.671   38.687   594.723   34.610   39.616  1.3323 40.270  1.1726 -0.6541405     1.774818  
1 1 1 12 5  4  o 91.049  1.7928 3042.92   119.642 2836.83   157.203  3326.62   184.439  87.853  2.4413 95.111  2.6457 -7.258057      3.599974  
1 1 1 12 5  5  o 56.573  1.2139 1173.78   50.333  1199.62   68.464   1143.39   74.252   57.175  1.6337 55.811  1.8151 1.364799       2.442070  
1 1 1 12 5  6  o 90.620  1.7845 3014.43   118.525 3110.98   154.442  2876.10   184.874  92.012  2.2900 88.405  2.8531 3.606689       3.658479  
1 1 1 12 5  7  o 196.444 4.4694 14291.50  643.526 14005.67  1087.99  14445.31  798.103  192.498 7.7111 196.956 5.5285 -4.457428      9.488217  
1 1 1 12 5  8  o 146.252 4.0652 7910.58   435.775 8554.77   938.003  7733.28   492.105  149.539 8.5941 144.402 4.6495 5.137527       9.771158  
1 1 1 12 5  9  o 149.151 4.1439 8234.15   453.024 8288.80   526.609  8078.56   888.551  149.389 4.8094 145.322 8.3775 4.067017       9.659851  
1 1 1 12 5  10 f 117.413 3.2825 5085.51   282.489 4815.79   307.254  6559.28   718.214  114.163 3.6719 131.358 7.4906 -17.19492      8.342214  
1 1 1 12 5  11 o 125.886 2.8864 5840.03   266.329 6356.88   406.585  5451.59   352.475  130.921 4.2370 121.331 3.9635 9.590240       5.801866  
1 1 1 12 5  12 o 6.1026  1.0270 14.034    4.4307  9.8745    5.6224   20.849    7.1972   5.1186  1.4388 7.4194  1.3741 -2.300797      1.989485  
1 1 1 12 5  13 o 26.978  0.7879 266.871   15.579  279.237   21.209   252.379   22.960   27.590  1.0488 26.226  1.1944 1.364130       1.589512  
1 1 1 12 5  14 o 25.366  0.6345 235.900   11.796  235.309   15.721   236.661   17.845   25.330  0.8468 25.400  0.9585 -0.7012558E-01 1.278959  
1 1 1 12 5  15 o 72.734  1.4428 1943.54   76.916  1973.16   110.235  1915.43   107.372  73.195  2.0547 72.120  2.0312 1.074638       2.889251  
1 1 1 12 5  16 o 84.438  1.6732 2623.42   103.556 2485.46   139.286  2793.92   154.849  82.037  2.3164 86.946  2.4298 -4.908394      3.357070  
1 1 1 12 5  17 o 20.484  0.5467 153.850   8.2078  149.951   11.525   157.863   11.692   20.217  0.7778 20.744  0.7690 -0.5267601     1.093731  
1 1 1 12 5  18 o 31.777  0.8159 370.584   19.003  364.757   32.378   373.646   23.470   31.482  1.4032 31.896  1.0039 -0.4141331     1.725338  
1 1 1 12 5  19 o 31.522  0.6995 364.581   16.161  381.205   23.668   350.061   22.120   32.212  1.0024 30.870  0.9776 1.342024       1.400206  
1 1 1 12 5  20 o 29.075  0.8600 310.452   18.328  321.065   24.075   295.819   28.267   29.548  1.1116 28.338  1.3609 1.209667       1.757201  
1 1 1 12 5  21 o 44.694  0.9356 733.990   30.651  635.397   44.099   826.130   42.632   41.509  1.4495 47.372  1.2278 -5.863464      1.899591  
1 1 1 12 5  22 o 7.3922  0.7978 20.300    4.2542  17.879    6.8711   21.805    5.4174   6.8379  1.4175 7.6381  0.9910 -0.8002620     1.729573  
1 1 1 12 5  23 o 33.963  0.7468 423.558   18.589  423.097   30.512   423.830   23.442   33.887  1.2284 33.954  0.9420 -0.6648636E-01 1.548010  
1 1 1 12 5  24 o 46.328  0.9634 789.566   32.713  905.429   60.378   741.424   38.920   49.426  1.6667 44.851  1.1839 4.575092       2.044357  
1 1 1 12 5  25 o 17.936  0.9427 118.752   12.350  117.596   17.997   119.781   16.978   17.773  1.3927 17.957  1.2987 -0.1834354     1.904282  
1 1 1 12 5  26 o 32.761  0.7399 394.579   17.766  432.966   26.996   365.253   23.596   34.257  1.0752 31.474  1.0228 2.782629       1.483969  
1 1 1 12 5  27 o 25.061  0.7479 230.936   13.738  253.681   21.150   214.334   18.069   26.215  1.1007 24.108  1.0226 2.106833       1.502396  
1 1 1 12 6  0  o 56.820  1.8492 1187.94   76.826  1194.54   94.646   1175.18   131.542  56.919  2.2769 56.283  3.2126 0.000000       0.000000  
1 1 1 12 6  1  f 140.468 2.7578 7258.63   283.940 7273.55   404.151  7244.08   399.002  140.338 3.9291 140.065 3.8866 0.2729797      5.526554  
1 1 1 12 6  2  o 70.724  1.3966 1834.87   72.396  1764.81   98.288   1917.95   107.035  69.329  1.9342 72.268  2.0207 -2.939270      2.797211  
1 1 1 12 6  3  o 142.680 2.7991 7490.12   292.726 7397.15   410.943  7585.90   417.080  141.512 3.9619 143.304 3.9708 -1.791611      5.609317  
1 1 1 12 6  4  o 102.702 2.0252 3873.64   152.446 3667.91   204.940  4128.47   228.097  99.842  2.8005 105.904 2.9385 -6.061600      4.059259  
1 1 1 12 6  5  o 50.475  1.0172 934.182   37.632  995.869   50.626   858.007   56.258   52.105  1.3256 48.354  1.5873 3.750446       2.068079  
1 1 1 12 6  6  o 151.365 2.9881 8437.09   331.518 7912.46   393.245  9725.92   616.358  146.407 3.6646 161.730 5.1995 -15.32373      6.361111  
1 1 1 12 6  7  o 100.807 2.8001 3740.66   206.894 3998.84   311.456  3536.76   276.786  103.970 4.0870 97.828  3.8601 6.142113       5.621782  
1 1 1 12 6  8  o 85.739  3.3810 2712.28   212.473 2751.53   304.103  2674.85   296.987  85.922  4.8486 84.726  4.8021 1.195755       6.824136  
1 1 1 12 6  9  o 22.636  0.7072 187.837   11.733  192.888   15.335   180.705   18.223   22.936  0.9122 22.168  1.1252 0.7676105      1.448486  
1 1 1 12 6  10 o 87.452  2.1887 2811.69   140.296 2743.68   175.938  2930.47   232.500  86.305  2.7813 89.049  3.5622 -2.744400      4.519350  
1 1 1 12 6  11 f 80.272  1.8419 2367.31   108.368 2263.83   147.175  2489.85   160.157  78.407  2.5609 82.213  2.6578 -3.805855      3.690873  
1 1 1 12 6  12 o 48.247  0.9820 853.757   34.726  835.206   47.996   874.137   50.307   47.701  1.3728 48.798  1.4065 -1.097130      1.965381  
1 1 1 12 6  13 o 37.649  0.7966 519.787   21.984  505.181   30.262   536.108   31.989   37.106  1.1127 38.224  1.1418 -1.117760      1.594294  
1 1 1 12 6  14 o 34.580  0.7391 438.483   18.734  439.459   26.511   437.510   26.476   34.608  1.0451 34.531  1.0461 0.7688522E-01  1.478706  
1 1 1 12 6  15 o 7.7947  0.6950 22.457    3.9292  32.604    5.8985   14.363    5.2684   9.3875  0.8670 6.1477  1.2123 3.239884       1.490423  
1 1 1 12 6  16 o 65.717  1.3095 1587.12   63.074  1571.55   88.636   1603.09   89.775   65.304  1.8518 65.955  1.8571 -0.6511002     2.622568  
1 1 1 12 6  17 o 49.974  1.0903 917.396   39.938  889.018   59.215   941.078   54.093   49.121  1.6447 50.568  1.4594 -1.446423      2.198837  
1 1 1 12 6  18 o 59.315  1.6928 1297.86   73.593  1350.63   150.852  1281.38   84.306   59.800  3.4564 58.873  1.9537 0.9267120      3.970383  
1 1 1 12 6  19 o 49.506  1.0151 900.656   36.832  994.706   56.851   832.623   48.352   51.943  1.4932 47.542  1.3876 4.400734       2.038391  
1 1 1 12 6  20 f 33.801  0.8618 419.610   21.351  430.764   26.823   400.320   35.274   34.228  1.0692 32.949  1.4606 1.278725       1.810138  
1 1 1 12 6  21 o 24.826  0.6106 226.132   11.110  214.802   17.681   233.524   14.282   24.172  0.9980 25.219  0.7726 -1.047071      1.262079  
1 1 1 12 6  22 o 41.193  0.8718 623.455   26.322  701.999   47.766   589.202   31.544   43.603  1.4946 40.019  1.0754 3.584190       1.841279  
1 1 1 12 6  23 f 18.795  0.5689 129.612   7.8375  142.795   13.596   123.051   9.5913   19.706  0.9413 18.306  0.7148 1.400095       1.181966  
1 1 1 12 6  24 o 8.5200  0.7465 26.873    4.6148  29.442    7.4833   25.296    5.8623   8.8586  1.1820 8.2313  0.9916 0.6273451      1.542869  
1 1 1 12 6  25 o 15.520  0.6886 88.505    7.8329  81.572    12.731   92.729    9.9364   14.817  1.1820 15.852  0.8584 -1.034993      1.460825  
1 1 1 12 6  26 o 40.208  0.9226 595.571   27.189  556.786   39.099   631.887   37.834   38.754  1.3765 41.327  1.2490 -2.572781      1.858683  
1 1 1 12 7  0  o 100.235 2.8110 3698.34   206.148 4025.88   315.782  3455.08   272.138  104.331 4.1443 96.680  3.8543 0.000000       0.000000  
1 1 1 12 7  1  o 86.388  1.8165 2739.75   115.019 2659.71   147.568  2863.64   183.592  85.065  2.3668 88.209  2.8396 -3.143669      3.696658  
1 1 1 12 7  2  o 86.362  2.1406 2740.03   135.500 2838.86   221.559  2680.98   171.262  87.736  3.4453 85.360  2.7373 2.375725       4.400356  
1 1 1 12 7  3  o 46.761  1.0905 801.865   37.376  826.214   54.517   780.269   51.343   47.450  1.5675 46.113  1.5190 1.336338       2.182797  
1 1 1 12 7  4  o 26.191  0.6759 251.457   12.975  232.006   17.322   276.326   19.586   25.155  0.9395 27.452  0.9734 -2.297218      1.352840  
1 1 1 12 7  5  o 50.396  1.0112 931.316   37.352  912.813   46.381   965.460   63.005   49.885  1.2685 51.286  1.6761 -1.401062      2.101981  
1 1 1 12 7  6  o 55.983  1.1169 1149.45   45.831  1111.38   56.258   1224.55   79.025   55.038  1.3946 57.746  1.8671 -2.708153      2.330427  
1 1 1 12 7  7  o 14.635  0.5865 78.513    6.2912  82.859    11.831   76.800    7.4285   14.992  1.0840 14.474  0.7002 0.5179815      1.290462  
1 1 1 12 7  8  o 47.677  1.1089 833.685   38.749  838.592   55.092   828.881   54.513   47.798  1.5725 47.521  1.5651 0.2771873      2.218606  
1 1 1 12 7  9  o 79.542  1.6746 2323.05   97.629  2256.00   125.514  2425.76   155.345  78.334  2.1861 81.173  2.6110 -2.838531      3.405308  
1 1 1 12 7  10 o 70.758  1.7694 1839.09   91.768  1790.98   115.508  1921.41   151.108  69.776  2.2585 72.192  2.8557 -2.415512      3.640898  
1 1 1 12 7  11 o 41.164  0.9845 621.500   29.703  613.011   41.953   630.033   42.061   40.865  1.4006 41.430  1.3851 -0.5642281     1.969861  
1 1 1 12 7  12 o 89.620  1.7766 2952.19   116.699 2834.40   158.835  3090.37   172.029  87.693  2.4712 91.547  2.5637 -3.854317      3.560811  
1 1 1 12 7  13 f 52.742  1.0630 1020.68   41.093  1001.95   57.217   1040.62   59.054   52.226  1.4947 53.223  1.5138 -0.9966545     2.127387  
1 1 1 12 7  14 o 80.865  1.6123 2404.22   95.559  2622.47   145.557  2238.90   126.682  84.301  2.3557 77.923  2.2181 6.378380       3.235598  
1 1 1 12 7  15 o 47.712  0.9730 835.442   34.026  869.850   50.037   805.845   46.407   48.647  1.4033 46.828  1.3521 1.819023       1.948698  
1 1 1 12 7  16 o 63.636  1.2694 1488.49   59.209  1460.95   82.239   1518.11   85.314   62.955  1.7822 64.168  1.8139 -1.213123      2.542972  
1 1 1 12 7  17 o 25.829  0.6140 244.700   11.624  233.533   15.993   257.202   16.922   25.223  0.8651 26.470  0.8722 -1.246984      1.228501  
1 1 1 12 7  18 o 45.045  1.1704 746.157   38.642  759.926   61.470   737.160   49.687   45.344  1.8495 44.722  1.5158 0.6223450      2.391345  
1 1 1 12 7  19 o 36.568  0.7806 490.927   20.922  485.520   29.345   496.516   29.837   36.335  1.1019 36.743  1.1079 -0.4084282     1.562550  
1 1 1 12 7  20 o 44.661  1.0728 733.544   35.119  772.728   45.070   672.988   56.030   45.793  1.3428 42.645  1.7925 3.148170       2.239706  
1 1 1 12 7  21 o 27.503  0.6851 277.635   13.811  276.350   21.272   278.572   18.158   27.410  1.0588 27.534  0.8998 -0.1240005     1.389492  
1 1 1 12 7  22 o 22.383  0.5859 183.831   9.6121  207.734   16.927   172.454   11.678   23.769  0.9716 21.672  0.7351 2.096741       1.218381  
1 1 1 12 7  23 o 13.451  0.6273 66.411    6.1849  66.590    9.0829   66.255    8.4455   13.424  0.9288 13.398  0.8646 0.2662182E-01  1.268970  
1 1 1 12 7  24 o 58.892  1.2054 1280.23   52.030  1340.53   89.445   1249.39   63.965   59.865  2.0385 58.063  1.5030 1.802116       2.532669  
1 1 1 12 7  25 o 6.3418  1.0021 15.182    4.5032  6.0588    6.8649   22.073    5.9662   4.4547  1.6219 7.6586  1.0939 -3.203822      1.956357  
1 1 1 12 7  26 o 21.100  0.5890 163.524   9.1100  168.859   15.346   160.621   11.320   21.401  0.9783 20.899  0.7390 0.5016861      1.226085  
1 1 1 12 8  0  o 113.950 3.1641 4783.11   263.811 4758.21   371.818  4808.36   374.366  113.357 4.4911 113.954 4.4981 0.000000       0.000000  
1 1 1 12 8  1  o 93.365  1.8306 3200.71   125.269 3078.02   170.118  3346.03   185.151  91.477  2.5372 95.361  2.6490 -3.883675      3.668022  
1 1 1 12 8  2  o 80.765  1.6931 2394.51   100.228 2417.68   133.788  2364.88   151.312  81.103  2.2506 80.177  2.5748 0.9266205      3.419761  
1 1 1 12 8  3  o 149.869 3.1471 8279.24   345.701 7632.18   486.044  8941.70   491.796  143.414 4.6239 155.353 4.3190 -11.93929      6.327230  
1 1 1 12 8  4  f 72.047  1.8014 1906.04   95.127  1784.60   114.899  2170.64   169.611  69.676  2.2498 76.751  3.0150 -7.074684      3.761915  
1 1 1 12 8  5  o 85.796  1.9613 2704.09   123.338 2810.59   156.962  2532.20   199.413  87.411  2.4499 82.847  3.2839 4.564262       4.097095  
1 1 1 12 8  6  o 44.164  1.0423 715.307   33.741  674.231   45.583   765.089   50.181   42.864  1.4509 45.659  1.4995 -2.794800      2.086493  
1 1 1 12 8  7  o 27.231  0.8573 271.895   17.112  250.955   31.300   280.823   20.437   26.093  1.6450 27.672  1.0076 -1.578909      1.929065  
1 1 1 12 8  8  o 25.509  0.6746 238.550   12.612  216.231   16.484   270.071   19.589   24.283  0.9261 27.137  0.9849 -2.854221      1.351897  
1 1 1 12 8  9  o 54.398  1.1605 1085.59   46.271  1084.21   61.188   1087.44   70.714   54.343  1.5362 54.408  1.7732 -0.6494522E-01 2.346105  
1 1 1 12 8  10 o 67.114  1.6850 1654.68   82.890  1614.73   104.547  1722.29   136.017  66.249  2.1530 68.341  2.7154 -2.092415      3.465371  
1 1 1 12 8  11 o 18.621  0.5929 127.110   8.0917  121.536   11.699   132.223   11.204   18.204  0.8768 18.989  0.8050 -0.7845879     1.190285  
1 1 1 12 8  12 o 60.207  1.1992 1330.47   52.919  1353.21   76.137   1309.22   73.604   60.671  1.7121 59.680  1.6826 0.9911728      2.400526  
1 1 1 12 8  13 o 57.774  1.1565 1225.21   48.971  1222.70   68.949   1227.78   69.565   57.668  1.6312 57.786  1.6424 -0.1183090     2.314839  
1 1 1 12 8  14 o 29.585  0.6557 320.982   14.218  311.595   19.738   331.105   20.498   29.141  0.9241 30.039  0.9310 -0.8981552     1.311781  
1 1 1 12 8  15 o 41.539  0.8608 633.185   26.208  676.984   39.393   598.404   35.104   42.920  1.2522 40.358  1.1867 2.562088       1.725202  
1 1 1 12 8  16 o 19.706  0.5345 142.400   7.7200  138.572   10.850   146.325   10.987   19.433  0.7617 19.970  0.7506 -0.5365982     1.069409  
1 1 1 12 8  17 o 30.486  0.7271 341.048   16.247  314.362   23.503   365.472   22.485   29.245  1.0965 31.543  0.9725 -2.297689      1.465619  
1 1 1 12 8  18 o 16.855  0.5988 104.222   7.3976  100.068   9.9354   109.390   11.082   16.509  0.8211 17.236  0.8801 -0.7269917     1.203682  
1 1 1 12 8  19 o 29.734  0.6699 324.458   14.600  310.057   20.048   340.720   21.304   29.048  0.9416 30.449  0.9546 -1.401342      1.340865  
1 1 1 12 8  20 o 27.301  0.7273 273.631   14.554  263.265   19.816   285.774   21.447   26.758  1.0104 27.875  1.0497 -1.116760      1.456969  
1 1 1 12 8  21 o 14.221  0.6530 74.223    6.8065  59.301    12.725   80.204    8.0558   12.601  1.4015 14.760  0.7471 -2.159328      1.588200  
1 1 1 12 8  22 o 21.339  0.5832 167.103   9.1212  195.048   16.530   154.870   10.937   23.027  0.9794 20.536  0.7266 2.491264       1.219494  
1 1 1 12 8  23 o 16.778  0.5679 103.319   6.9844  91.361    11.082   111.200   8.9962   15.727  0.9660 17.400  0.7054 -1.672802      1.196137  
1 1 1 12 8  24 f 27.977  0.7633 287.773   15.652  252.197   24.875   311.088   20.137   26.112  1.2997 29.064  0.9453 -2.951740      1.607114  
1 1 1 12 8  25 o 30.639  0.7073 345.097   15.883  333.254   25.380   352.720   20.363   30.031  1.1530 30.946  0.8978 -0.9146748     1.461310  
1 1 1 12 8  26 o 11.990  0.6390 52.969    5.5952  54.853    9.1380   51.839    7.0770   12.149  1.0361 11.840  0.8206 0.3094120      1.321649  
1 1 1 12 9  0  o 36.467  1.0798 488.812   28.803  592.577   47.992   430.395   36.010   40.094  1.6393 34.167  1.4438 0.000000       0.000000  
1 1 1 12 9  1  o 5.6423  0.7947 11.902    3.1956  17.377    4.6524   7.0116    4.3970   6.8174  0.9575 4.3446  1.2884 2.472852       1.605178  
1 1 1 12 9  2  o 15.571  0.4630 88.873    5.2841  84.222    7.2910   94.019    7.6690   15.157  0.6563 16.015  0.6533 -0.8573942     0.9260237 
1 1 1 12 9  3  o 65.744  1.3112 1585.80   63.184  1490.68   84.576   1705.93   95.048   63.710  1.8112 68.147  1.9029 -4.437202      2.627038  
1 1 1 12 9  4  o 132.751 2.6010 6487.08   253.077 6516.29   322.100  6439.96   409.117  132.868 3.3074 131.787 4.2354 1.080750       5.373774  
1 1 1 12 9  5  o 71.214  1.5017 1861.39   78.385  1834.04   102.337  1900.21   121.924  70.649  1.9763 71.877  2.3143 -1.228180      3.043279  
1 1 1 12 9  6  f 60.293  1.3816 1334.04   61.059  1294.92   84.142   1377.56   88.742   59.365  1.9338 61.226  1.9775 -1.861465      2.765827  
1 1 1 12 9  7  o 41.377  1.1919 628.086   36.149  647.307   73.659   621.988   41.489   41.868  2.4104 41.168  1.3750 0.7000961      2.775020  
1 1 1 12 9  8  o 24.432  0.5743 218.822   10.285  197.901   13.561   247.159   15.782   23.232  0.7964 25.962  0.8294 -2.730206      1.149793  
1 1 1 12 9  9  o 18.777  0.5475 129.244   7.5345  127.754   10.007   131.193   11.449   18.666  0.7314 18.915  0.8258 -0.2483482     1.103150  
1 1 1 12 9  10 o 43.166  1.2661 683.930   40.057  794.559   64.690   615.130   51.015   46.480  1.8988 40.911  1.7013 5.569168       2.549497  
1 1 1 12 9  11 o 45.896  1.3255 773.460   44.591  673.307   78.979   820.324   54.026   42.639  2.5386 47.249  1.5600 -4.609566      2.979593  
1 1 1 12 9  12 o 28.430  0.8197 296.462   17.080  277.530   26.146   310.557   22.559   27.490  1.2976 29.090  1.0580 -1.599831      1.674266  
1 1 1 12 9  13 o 9.1393  0.7152 30.821    4.7525  27.174    6.5459   34.886    6.9111   8.5373  1.0696 9.6999  0.9858 -1.162610      1.454538  
1 1 1 12 9  14 o 37.822  0.7968 524.841   22.089  511.749   30.613   539.060   31.905   37.328  1.1189 38.309  1.1362 -0.9818192     1.594671  
1 1 1 12 9  15 o 20.342  0.5409 151.744   8.0646  137.548   10.900   168.913   11.987   19.361  0.7681 21.456  0.7622 -2.094481      1.082129  
1 1 1 12 9  16 o 59.792  1.1974 1314.76   52.476  1264.60   71.591   1373.00   77.143   58.545  1.6684 60.988  1.7257 -2.443321      2.400320  
1 1 1 12 9  17 o 30.847  0.7910 349.315   17.885  393.253   34.386   333.020   20.941   32.666  1.4361 30.108  0.9489 2.558361       1.721322  
1 1 1 12 9  18 f 45.930  0.9451 775.228   31.818  752.704   43.935   800.073   46.142   45.198  1.3262 46.593  1.3511 -1.395733      1.893223  
1 1 1 12 9  19 o 29.611  0.6698 321.794   14.537  323.479   20.694   320.152   20.426   29.666  0.9517 29.514  0.9442 0.1522827      1.340645  
1 1 1 12 9  20 o 39.992  0.9074 587.826   26.600  560.917   34.056   629.925   42.597   39.026  1.1906 41.317  1.4066 -2.290771      1.842813  
1 1 1 12 9  21 o 37.301  0.9216 511.536   25.197  521.127   45.617   507.325   30.226   37.516  1.6589 37.121  1.1109 0.3955116      1.996562  
1 1 1 12 9  22 o 24.427  0.6142 219.029   10.997  229.252   18.849   213.754   13.540   24.955  1.0305 24.121  0.7659 0.8339615      1.283975  
1 1 1 12 9  23 o 37.204  0.8031 508.934   21.899  519.830   36.784   502.953   27.255   37.490  1.3387 36.950  1.0064 0.5401039      1.674737  
1 1 1 12 9  24 o 22.088  0.8179 179.527   13.242  181.707   24.086   178.582   15.852   22.069  1.4979 22.011  0.9826 0.5854988E-01  1.791439  
1 1 1 12 9  25 o 38.972  0.8489 559.297   24.249  577.901   40.464   548.873   30.291   39.453  1.3993 38.552  1.0720 0.9007530      1.762695  
1 1 1 12 10 0  o 39.945  1.1665 586.537   34.086  658.217   53.129   536.390   44.438   42.253  1.7220 38.141  1.5959 0.000000       0.000000  
1 1 1 12 10 1  o 69.158  1.4595 1755.43   73.982  1866.69   119.945  1687.12   93.991   71.238  2.2972 67.765  1.8923 3.473038       2.976225  
1 1 1 12 10 2  o 46.101  0.9298 779.360   31.417  770.635   43.749   788.651   45.144   45.829  1.3024 46.360  1.3285 -0.5314598     1.860434  
1 1 1 12 10 3  f 70.610  1.4941 1830.13   77.328  1865.90   104.597  1787.01   114.836  71.252  2.0028 69.704  2.2477 1.548294       3.010571  
1 1 1 12 10 4  o 140.026 2.7538 7226.02   282.629 7153.39   355.198  7351.37   466.614  139.088 3.4842 140.568 4.5289 -1.480789      5.714032  
1 1 1 12 10 5  o 57.014  1.1383 1192.47   47.568  1171.66   59.387   1229.72   79.453   56.498  1.4341 57.848  1.8739 -1.350525      2.359665  
1 1 1 12 10 6  o 53.020  1.2343 1031.49   47.965  1003.79   65.814   1062.88   70.049   52.273  1.7178 53.784  1.7769 -1.511845      2.471466  
1 1 1 12 10 7  o 24.900  0.7324 227.337   13.368  240.853   21.941   219.359   16.858   25.621  1.1684 24.456  0.9404 1.164726       1.499849  
1 1 1 12 10 8  o 41.049  0.8403 617.934   25.283  629.525   36.429   607.162   35.117   41.417  1.2000 40.676  1.1779 0.7412796      1.681490  
1 1 1 12 10 9  o 36.123  0.7607 478.501   20.141  453.112   27.368   508.494   29.747   35.142  1.0625 37.226  1.0902 -2.084538      1.522341  
1 1 1 12 10 10 o 38.673  0.9402 548.656   26.651  507.064   30.311   690.365   55.949   37.171  1.1125 43.326  1.7618 -6.155170      2.083703  
1 1 1 12 10 11 o 64.159  1.4732 1512.78   69.280  1490.26   97.050   1536.19   98.930   63.591  2.0822 64.562  2.0906 -0.9710884     2.950596  
1 1 1 12 10 12 o 44.601  0.9154 729.959   29.926  718.288   41.747   742.296   42.921   44.216  1.2881 44.948  1.3028 -0.7315788     1.832113  
1 1 1 12 10 13 o 62.446  1.2464 1433.04   57.046  1490.75   83.584   1382.70   78.051   63.598  1.7931 61.260  1.7383 2.337643       2.497356  
1 1 1 12 10 14 o 26.132  0.6623 250.493   12.686  252.876   16.799   247.330   19.354   26.247  0.8732 25.950  1.0175 0.2967911      1.340826  
1 1 1 12 10 15 o 35.824  0.7611 470.996   19.985  478.549   28.816   463.995   27.742   36.083  1.0895 35.533  1.0652 0.5506668      1.523724  
1 1 1 12 10 16 o 6.2309  0.8348 14.509    3.7167  17.167    5.5263   12.313    5.0223   6.7373  1.1610 5.6751  1.2419 1.062205       1.700072  
1 1 1 12 10 17 f 61.282  1.7483 1389.47   78.531  1428.70   159.304  1376.88   90.261   61.139  3.5704 60.907  2.0219 0.2321777      4.103163  
1 1 1 12 10 18 o 56.849  1.1572 1189.65   48.218  1169.32   67.326   1211.06   69.090   56.239  1.6333 57.230  1.6471 -0.9907455     2.319588  
1 1 1 12 10 19 o 19.135  0.5564 134.330   7.8033  119.745   10.612   151.500   11.514   18.056  0.8019 20.311  0.7734 -2.255003      1.114101  
1 1 1 12 10 20 o 67.930  1.5736 1706.99   78.349  1758.20   139.324  1683.31   94.751   68.269  2.7843 67.304  1.9207 0.9647598      3.382540  
1 1 1 12 10 21 o 39.765  1.3671 584.019   39.846  0.0000    0.0000   584.019   39.846   ?       ?      39.765  1.3671 0.000000       1.367121  
1 1 1 12 10 22 o 41.948  1.1213 648.745   34.474  635.954   53.766   657.674   44.924   41.346  1.7742 42.149  1.4541 -0.8031349     2.293939  
1 1 1 12 10 23 o 5.8590  1.2248 13.158    5.0903  11.907    7.6614   14.147    6.8110   5.6327  1.7076 6.0558  1.5330 -0.4231248     2.294768  
1 1 1 12 10 24 o 3.6790  1.3920 3.6241    5.1470  10.308    8.0999   -0.9021   6.6657   5.3652  1.7723 3.3678  1.4602 1.997432       2.296353  
1 1 1 12 10 25 f 19.272  0.5847 136.438   8.2595  136.474   13.827   136.418   10.299   19.209  0.9854 19.259  0.7296 -0.4943275E-01 1.226080  
1 1 1 12 11 0  o 99.686  2.7855 3661.81   203.165 3600.55   282.511  3727.43   292.380  98.581  3.9240 100.292 3.9918 0.000000       0.000000  
1 1 1 12 11 1  o 21.031  0.5103 162.137   7.8659  173.339   11.650   152.751   10.663   21.743  0.7310 20.412  0.7128 1.331884       1.020973  
1 1 1 12 11 2  o 85.582  1.8030 2691.41   113.101 2916.84   186.486  2560.24   142.249  88.913  2.8615 83.396  2.3271 5.517212       3.688351  
1 1 1 12 11 3  o 44.138  0.9022 714.468   29.186  734.626   38.038   685.609   45.513   44.747  1.1598 43.215  1.4369 1.531822       1.846531  
1 1 1 12 11 4  o 54.184  1.0908 1077.07   43.322  1091.29   55.429   1054.75   69.446   54.522  1.3870 53.573  1.7686 0.9489174      2.247573  
1 1 1 12 11 5  o 29.036  0.7309 309.120   15.554  348.322   24.515   282.705   20.123   30.813  1.0855 27.762  0.9890 3.050989       1.468446  
1 1 1 12 11 6  o 122.080 3.3979 5524.63   304.042 5657.04   439.934  5403.56   420.672  122.791 4.8881 120.069 4.7800 2.721550       6.836829  
1 1 1 12 11 7  o 37.179  0.8932 506.999   24.340  498.022   33.935   516.512   34.932   36.833  1.2570 37.510  1.2706 -0.6768112     1.787274  
1 1 1 12 11 8  o 59.395  1.1851 1294.94   51.594  1376.12   77.278   1229.66   69.302   61.173  1.7235 57.836  1.6348 3.337173       2.375508  
1 1 1 12 11 9  o 49.276  0.9946 890.953   35.924  922.876   52.518   862.880   49.248   50.118  1.4297 48.465  1.3864 1.652782       1.991459  
1 1 1 12 11 10 o 43.156  1.0272 683.552   32.492  721.208   41.644   624.957   51.948   44.311  1.2822 41.210  1.7198 3.100342       2.145183  
1 1 1 12 11 11 o 41.280  1.0834 625.672   32.778  588.620   40.048   700.861   57.050   40.016  1.3654 43.619  1.7844 -3.602505      2.246905  
1 1 1 12 11 12 o 84.193  1.6674 2611.31   102.898 2545.74   141.714  2684.44   149.651  82.925  2.3316 85.129  2.3984 -2.204117      3.344909  
1 1 1 12 11 13 o 59.146  1.1859 1285.98   51.411  1348.96   76.291   1233.59   69.582   60.476  1.7211 57.848  1.6411 2.627140       2.378098  
1 1 1 12 11 14 o 33.919  0.7283 422.202   18.107  443.026   26.845   404.820   24.526   34.720  1.0549 33.193  1.0081 1.526806       1.459128  
1 1 1 12 11 15 o 32.163  0.7009 379.627   16.523  380.142   23.473   379.122   23.264   32.163  0.9957 32.120  0.9881 0.4248047E-01  1.402804  
1 1 1 12 11 16 o 34.496  0.7424 436.873   18.771  448.778   27.410   426.358   25.759   34.930  1.0706 34.051  1.0321 0.8792992      1.487095  
1 1 1 12 11 17 o 14.166  0.6049 73.633    6.2808  67.287    8.4063   81.651    9.4497   13.507  0.8535 14.882  0.8701 -1.375520      1.218841  
1 1 1 12 11 18 o 26.893  0.6298 265.432   12.415  298.941   19.227   241.469   16.259   28.517  0.9199 25.634  0.8654 2.882929       1.262947  
1 1 1 12 11 19 o 18.325  0.5369 123.204   7.2108  120.659   10.148   125.800   10.248   18.124  0.7639 18.507  0.7555 -0.3825665     1.074379  
1 1 1 12 11 20 o 18.510  0.5475 125.726   7.4288  125.853   10.620   125.605   10.396   18.508  0.7828 18.490  0.7671 0.1725006E-01  1.095999  
1 1 1 12 11 21 o 55.737  1.6185 1152.58   66.120  1187.31   96.893   1122.31   90.454   56.189  2.3527 54.685  2.2567 1.504055       3.260024  
1 1 1 12 11 22 o 34.011  0.7481 425.287   18.649  459.165   32.735   409.008   22.691   35.235  1.2675 33.325  0.9290 1.909874       1.571488  
1 1 1 12 11 23 o 27.135  0.6493 270.584   12.913  262.520   20.897   275.565   16.424   26.664  1.0692 27.361  0.8190 -0.6966629     1.346832  
1 1 1 12 11 24 o 14.987  0.5681 82.511    6.2402  82.979    10.313   82.241    7.8377   14.970  0.9448 14.953  0.7151 0.1737213E-01  1.184902  
1 1 1 12 12 0  o 2.9960  1.5428 4.8090    4.3316  5.3813    6.6121   4.3787    5.7332   3.2945  1.8380 3.0100  1.6988 0.000000       0.000000  
1 1 1 12 12 1  o 27.461  0.6026 276.460   12.129  308.470   18.691   253.174   15.941   29.001  0.8793 26.275  0.8278 2.726452       1.207625  
1 1 1 12 12 2  o 57.227  1.2228 1202.03   51.290  1114.08   62.812   1378.02   88.850   55.067  1.5562 61.197  1.9808 -6.129681      2.519013  
1 1 1 12 12 3  o 34.632  0.7188 439.791   18.245  432.190   22.788   453.364   30.453   34.326  0.9057 35.146  1.1822 -0.8201027     1.489253  
1 1 1 12 12 4  o 98.456  1.9393 3567.20   139.951 3558.41   176.911  3581.89   228.789  98.212  2.4576 98.319  3.1748 -0.1068954     4.014848  
1 1 1 12 12 5  o 75.546  1.7169 2098.60   95.072  2071.78   132.917  2126.70   136.042  74.939  2.4199 75.920  2.4447 -0.9815140     3.439841  
1 1 1 12 12 6  o 52.391  1.4785 1008.57   56.775  1049.18   83.292   973.318   77.593   53.360  2.1297 51.403  2.0595 1.956303       2.962560  
1 1 1 12 12 7  o 44.330  0.9731 721.063   31.617  781.017   44.726   661.180   44.700   46.112  1.3233 42.419  1.4377 3.693470       1.953992  
1 1 1 12 12 8  f 69.131  1.3744 1756.06   69.643  1771.87   99.785   1741.04   97.243   69.347  1.9632 68.747  1.9299 0.5997849      2.752886  
1 1 1 12 12 9  f 44.484  0.9047 726.117   29.498  716.099   41.339   736.509   42.104   44.147  1.2776 44.772  1.2830 -0.6242256     1.810616  
1 1 1 12 12 10 o 84.679  1.9314 2645.24   119.874 2636.55   146.269  2663.01   209.198  84.402  2.3644 84.394  3.3820 0.8728027E-02  4.126487  
1 1 1 12 12 11 o 15.411  0.6369 87.106    7.1944  92.848    10.061   81.097    10.292   15.881  0.8676 14.832  0.9518 1.049656       1.287855  
1 1 1 12 12 12 o 38.478  0.8544 543.531   24.096  536.443   31.653   553.300   37.161   38.202  1.1304 38.778  1.3074 -0.5760956     1.728360  
1 1 1 12 12 13 o 42.394  0.8820 660.039   27.406  646.153   38.031   675.039   39.528   41.904  1.2382 42.827  1.2592 -0.9234581     1.766021  
1 1 1 12 12 14 o 19.999  0.5407 146.699   7.9260  159.188   11.788   136.392   10.708   20.824  0.7723 19.276  0.7579 1.547945       1.082086  
1 1 1 12 12 15 o 36.836  0.7878 498.306   21.271  482.407   29.543   515.420   30.651   36.207  1.1132 37.424  1.1174 -1.217773      1.577293  
1 1 1 12 12 16 o 13.278  0.5855 64.690    5.6979  57.738    9.7234   68.326    7.0317   12.481  1.0733 13.624  0.7066 -1.143087      1.285033  
1 1 1 12 12 17 o 25.373  0.6041 236.264   11.236  228.174   15.629   244.917   16.164   24.918  0.8557 25.816  0.8542 -0.8981571     1.209115  
1 1 1 12 12 18 o 21.369  0.5642 167.563   8.8371  180.422   13.095   156.808   11.975   22.159  0.8062 20.660  0.7908 1.499964       1.129340  
1 1 1 12 12 19 o 19.020  0.5453 132.749   7.6023  132.628   10.821   132.867   10.683   18.999  0.7771 19.017  0.7664 -0.1779556E-01 1.091417  
1 1 1 12 12 20 o 23.720  0.5983 206.540   10.401  209.740   14.871   203.475   14.552   23.882  0.8496 23.523  0.8440 0.3588791      1.197548  
1 1 1 12 12 21 o 24.386  0.7852 218.687   14.034  216.795   18.395   221.322   21.708   24.249  1.0350 24.474  1.2101 -0.2250595     1.592349  
1 1 1 12 12 22 o 17.237  0.5570 109.113   7.0375  101.102   11.239   114.281   9.0260   16.537  0.9310 17.631  0.6985 -1.093935      1.163911  
1 1 1 12 12 23 o 13.928  0.7642 71.609    7.7721  70.544    12.889   72.218    9.7425   13.731  1.2960 13.959  0.9580 -0.2276030     1.611684  
1 1 1 12 12 24 o 32.696  0.7356 393.345   17.629  383.166   28.308   399.794   22.531   32.163  1.2008 32.922  0.9337 -0.7595406     1.521094  
1 1 1 12 13 0  o 8.1460  0.8361 25.089    4.8715  26.780    7.4283   23.812    6.4530   8.2392  1.3352 7.7864  1.2201 0.000000       0.000000  
1 1 1 12 13 1  o 55.557  1.1129 1132.91   45.318  1125.91   63.573   1140.15   64.618   55.343  1.5672 55.690  1.5831 -0.3469505     2.227626  
1 1 1 12 13 2  o 76.164  1.5012 2132.01   83.804  2177.67   108.369  2064.09   132.180  76.905  1.9225 74.773  2.4118 2.132370       3.084296  
1 1 1 12 13 3  f 5.8652  0.7712 12.834    3.2349  11.486    4.3356   14.528    4.8585   5.4950  1.1146 6.1977  1.1103 -0.7026892     1.573230  
1 1 1 12 13 4  o 53.808  1.1482 1062.94   45.282  1026.81   58.081   1118.93   72.310   52.853  1.4993 55.138  1.7892 -2.285156      2.334354  
1 1 1 12 13 5  o 24.055  0.6436 212.188   11.347  204.101   16.045   220.281   16.050   23.585  0.9282 24.503  0.8937 -0.9181061     1.288467  
1 1 1 12 13 6  o 35.525  1.0495 463.276   27.327  453.147   31.044   498.133   57.589   35.125  1.2058 36.679  2.1516 -1.553265      2.466402  
1 1 1 12 13 7  o 66.113  1.3121 1606.39   63.581  1571.31   87.950   1644.79   92.023   65.298  1.8376 66.799  1.8795 -1.500732      2.628571  
1 1 1 12 13 8  o 51.833  1.0430 986.539   39.625  934.307   53.258   1051.31   59.306   50.397  1.4418 53.449  1.5138 -3.052193      2.090557  
1 1 1 12 13 9  o 63.370  1.2755 1476.55   59.244  1330.09   75.885   1705.16   94.807   60.063  1.7237 67.962  1.9032 -7.898743      2.567778  
1 1 1 12 13 10 o 35.856  0.8729 471.985   22.942  497.601   29.372   431.903   36.741   36.798  1.0890 34.246  1.4637 2.552422       1.824373  
1 1 1 12 13 11 o 39.679  1.0459 578.634   30.418  589.477   40.211   564.129   46.508   40.009  1.3712 39.101  1.6228 0.9075508      2.124527  
1 1 1 12 13 12 o 33.781  0.7694 418.920   19.050  424.220   25.764   412.526   28.297   33.970  1.0347 33.486  1.1529 0.4839325      1.549144  
1 1 1 12 13 13 o 42.242  0.8697 655.474   26.929  658.070   38.356   652.952   37.816   42.274  1.2379 42.112  1.2251 0.1626549      1.741641  
1 1 1 12 13 14 o 26.471  0.6120 257.130   11.873  264.204   17.257   250.770   16.362   26.814  0.8781 26.125  0.8545 0.6886921      1.225196  
1 1 1 12 13 15 o 59.758  1.2018 1315.67   52.640  1265.82   71.766   1373.72   77.447   58.469  1.6746 60.887  1.7354 -2.417885      2.411616  
1 1 1 12 13 16 o 28.360  0.9050 295.708   18.812  287.207   34.921   299.184   22.329   27.782  1.7234 28.509  1.0686 -0.7265282     2.027808  
1 1 1 12 13 17 o 23.907  0.6192 209.785   10.849  208.481   14.667   211.360   16.123   23.816  0.8402 23.973  0.9175 -0.1572094     1.244129  
1 1 1 12 13 18 o 17.540  0.5266 112.883   6.7694  108.155   9.5734   117.611   9.5732   17.157  0.7613 17.893  0.7299 -0.7361240     1.054675  
1 1 1 12 13 19 o 31.568  0.6988 366.088   16.169  356.736   22.550   375.984   23.196   31.125  0.9884 31.954  0.9904 -0.8283901     1.399248  
1 1 1 12 13 20 o 2.2606  1.0270 -2.2558   3.7075  3.4495    5.3604   -7.4879   5.1333   3.6965  1.4153 2.2430  1.0769 1.453509       1.778415  
1 1 1 12 13 21 o 42.602  1.1499 671.011   35.906  708.967   48.777   626.117   53.048   43.646  1.5247 40.908  1.7692 2.737595       2.335563  
1 1 1 12 13 22 o 38.885  0.8311 556.997   23.686  567.843   39.650   550.978   29.536   39.084  1.3841 38.617  1.0435 0.4670792      1.733344  
1 1 1 12 13 23 o 11.700  0.7991 50.652    6.8121  55.379    11.176   47.857    8.5930   12.152  1.2737 11.332  1.0464 0.8199873      1.648363  
1 1 1 12 14 0  o 43.360  1.2483 691.580   39.598  660.667   53.653   728.562   58.684   42.302  1.7371 44.420  1.8092 0.000000       0.000000  
1 1 1 12 14 1  o 94.450  1.8560 3287.10   128.487 3279.11   162.140  3300.59   210.656  94.182  2.3488 94.211  3.0506 -0.2870178E-01 3.850092  
1 1 1 12 14 2  o 21.833  0.5169 174.773   8.2721  176.648   10.717   172.008   13.010   21.947  0.6662 21.653  0.8198 0.2941647      1.056364  
1 1 1 12 14 3  o 42.894  0.8699 675.135   27.349  669.471   34.388   684.885   45.115   42.697  1.0988 43.156  1.4262 -0.4589043     1.800427  
1 1 1 12 14 4  o 37.988  0.8401 529.511   23.392  568.550   33.067   490.405   33.095   39.342  1.1467 36.532  1.2360 2.810432       1.685997  
1 1 1 12 14 5  o 43.843  1.2563 706.535   40.371  763.996   61.320   662.573   53.636   45.515  1.8381 42.402  1.7258 3.112854       2.521307  
1 1 1 12 14 6  o 66.610  1.5259 1633.57   74.499  1654.62   92.523   1594.76   125.629  66.957  1.8853 65.521  2.6159 1.435120       3.224494  
1 1 1 12 14 7  o 47.283  0.9590 820.977   33.236  806.737   46.471   835.888   47.553   46.825  1.3540 47.662  1.3612 -0.8374825     1.919950  
1 1 1 12 14 8  o 23.671  0.5575 205.497   9.6719  214.842   14.304   197.624   13.128   24.193  0.8066 23.205  0.7718 0.9881516      1.116415  
1 1 1 12 14 9  o 4.3779  1.0490 7.3276    3.3220  5.2297    4.9025   9.1088    4.5172   3.9775  1.3784 4.8834  1.2552 -0.9059122     1.864231  
1 1 1 12 14 10 f 12.656  0.5807 58.761    5.3873  54.852    6.4785   67.523    9.6992   12.203  0.7276 13.519  0.9856 -1.315890      1.225117  
1 1 1 12 14 11 o 14.887  0.6179 81.313    6.7419  98.116    10.391   69.095    8.8602   16.320  0.8718 13.685  0.8881 2.634472       1.244488  
1 1 1 12 14 12 o 39.438  0.8759 571.506   25.320  585.247   34.432   555.327   37.362   39.867  1.1783 38.812  1.3133 1.054672       1.764475  
1 1 1 12 14 13 o 12.570  0.5246 57.964    4.8329  56.472    6.9492   59.363    6.7257   12.376  0.7699 12.694  0.7259 -0.3181219     1.058138  
1 1 1 12 14 14 o 24.324  0.5859 217.115   10.446  226.548   15.432   209.137   14.191   24.828  0.8480 23.858  0.8116 0.9702835      1.173767  
1 1 1 12 14 15 o 34.240  0.7337 430.605   18.412  430.778   26.173   430.436   25.907   34.208  1.0439 34.196  1.0336 0.1209259E-01  1.469007  
1 1 1 12 14 16 f 23.648  0.7234 205.419   12.538  186.123   18.025   223.510   17.453   22.477  1.0941 24.646  0.9661 -2.168392      1.459596  
1 1 1 12 14 17 o 24.597  0.5989 222.089   10.798  201.760   14.491   247.470   16.192   23.425  0.8440 25.942  0.8515 -2.517393      1.198912  
1 1 1 12 14 18 o 67.748  1.3598 1697.94   67.522  1736.09   97.690   1663.05   93.432   68.164  1.9553 66.745  1.9099 1.419853       2.733261  
1 1 1 12 14 19 o 22.401  0.5734 184.251   9.4144  176.439   13.198   192.343   13.433   21.899  0.8222 22.867  0.8015 -0.9678879     1.148232  
1 1 1 12 14 20 o 45.115  0.9356 750.390   30.939  731.597   42.902   770.753   44.658   44.417  1.3178 45.582  1.3367 -1.165401      1.877052  
1 1 1 12 14 21 f 6.8917  1.2000 18.092    5.8411  16.905    8.4284   19.189    8.1025   6.5964  1.7240 7.0308  1.6073 -0.4343534     2.357050  
1 1 1 12 14 22 o 7.4975  0.8372 20.973    4.5222  17.016    6.8248   24.070    6.0379   6.6326  1.4448 8.0003  1.0554 -1.367709      1.789206  
1 1 1 12 15 0  f 10.150  0.7304 38.359    5.3691  57.550    8.6473   26.319    6.8493   12.414  0.9637 8.2112  1.2165 0.000000       0.000000  
1 1 1 12 15 1  o 77.769  1.5353 2227.63   87.515  2264.48   112.473  2171.08   139.325  78.286  1.9601 76.465  2.4859 1.820717       3.165738  
1 1 1 12 15 2  o 16.327  0.4597 97.743    5.5014  97.917    7.1709   97.494    8.5766   16.339  0.5988 16.301  0.7178 0.3809547E-01  0.9347710 
1 1 1 12 15 3  o 20.047  0.5016 147.371   7.3708  147.079   9.5451   147.803   11.601   20.024  0.6504 20.068  0.7887 -0.4469490E-01 1.022236  
1 1 1 12 15 4  o 33.454  0.8150 410.790   19.984  408.092   28.533   413.388   27.998   33.316  1.1685 33.534  1.1391 -0.2181587     1.631842  
1 1 1 12 15 5  o 34.244  0.9043 430.619   22.697  421.423   28.811   445.662   36.848   33.854  1.1611 34.782  1.4454 -0.9279671     1.853990  
1 1 1 12 15 6  o 17.270  0.5379 109.386   6.8084  105.694   8.9645   114.419   10.466   16.971  0.7207 17.654  0.8088 -0.6834011     1.083333  
1 1 1 12 15 7  o 81.067  1.6102 2426.42   95.678  2555.79   142.533  2320.32   129.083  82.855  2.3470 79.007  2.2291 3.848518       3.236850  
1 1 1 12 15 8  o 30.385  0.6598 338.818   14.694  347.108   21.387   331.405   20.224   30.733  0.9494 30.032  0.9188 0.7005424      1.321188  
1 1 1 12 15 9  o 34.778  0.7405 444.064   18.875  438.848   26.682   449.289   26.704   34.542  1.0539 34.952  1.0424 -0.4098549     1.482317  
1 1 1 12 15 10 f 39.326  0.9453 568.559   27.248  605.341   35.194   513.520   43.051   40.543  1.1843 37.271  1.5759 3.271217       1.971321  
1 1 1 12 15 11 o 25.662  0.8699 242.052   16.361  259.182   24.928   229.088   21.686   26.509  1.2830 24.934  1.1866 1.575060       1.747574  
1 1 1 12 15 12 o 19.303  0.5948 136.744   8.4159  132.355   12.352   140.546   11.497   18.974  0.8882 19.558  0.8020 -0.5840473     1.196732  
1 1 1 12 15 13 o 11.533  0.5211 48.798    4.4052  50.597    6.4463   47.222    6.0339   11.712  0.7550 11.315  0.7315 0.3965750      1.051184  
1 1 1 12 15 14 o 13.345  0.5122 65.343    5.0105  62.916    7.2984   67.506    6.8909   13.063  0.7656 13.540  0.6967 -0.4764099     1.035159  
1 1 1 12 15 15 o 50.982  1.1120 958.053   41.552  933.051   62.469   977.894   55.648   50.120  1.7005 51.394  1.4773 -1.274467      2.252537  
1 1 1 12 15 16 o 20.340  0.6044 151.883   9.0109  135.446   11.352   179.883   14.816   19.194  0.8069 22.110  0.9142 -2.915651      1.219391  
1 1 1 12 15 17 o 7.2966  0.7495 19.776    3.9517  13.274    5.8018   25.401    5.3972   5.8725  1.3726 8.2580  0.9066 -2.385535      1.644941  
1 1 1 12 15 18 o 8.0105  0.6883 23.757    4.0021  19.393    5.7630   27.822    5.5620   7.1602  1.1360 8.6470  0.8903 -1.486807      1.443333  
1 1 1 12 15 19 o 10.823  0.5948 43.170    4.7004  44.698    6.8989   41.846    6.4214   10.981  0.8641 10.627  0.8310 0.3535013      1.198863  
1 1 1 12 15 20 o 23.465  0.5974 202.369   10.275  199.110   14.432   205.719   14.634   23.242  0.8472 23.625  0.8451 -0.3828678     1.196620  
1 1 1 12 15 21 o 27.109  0.7559 270.670   15.019  279.087   18.845   256.020   24.864   27.491  0.9352 26.241  1.2928 1.250740       1.595595  
1 1 1 12 16 0  o 19.276  0.6945 136.801   9.7838  128.137   18.205   140.320   11.602   18.527  1.3574 19.507  0.8146 0.000000       0.000000  
1 1 1 12 16 1  o 18.996  0.4895 132.333   6.8157  127.906   8.5916   139.848   11.195   18.671  0.6278 19.517  0.7826 -0.8459358     1.003259  
1 1 1 12 16 2  f 9.0418  0.5323 30.090    3.5121  24.940    4.5922   37.348    5.4513   8.2059  0.7726 10.059  0.7446 -1.853401      1.073033  
1 1 1 12 16 3  o 32.815  0.7437 395.293   17.886  399.351   24.209   390.416   26.541   32.960  1.0021 32.578  1.1115 0.3822403      1.496555  
1 1 1 12 16 4  o 24.758  0.7052 224.997   12.797  233.893   21.236   219.924   16.035   25.210  1.1492 24.466  0.8942 0.7442989      1.456147  
1 1 1 12 16 5  o 21.181  0.6490 164.645   10.076  154.937   12.604   181.837   16.773   20.538  0.8373 22.236  1.0291 -1.698454      1.326704  
1 1 1 12 16 6  o 38.172  0.7925 535.155   22.172  520.066   30.613   551.803   32.155   37.591  1.1111 38.718  1.1331 -1.126694      1.586925  
1 1 1 12 16 7  o 15.707  0.4859 90.486    5.5942  102.049   8.5899   81.970    7.3718   16.672  0.7029 14.944  0.6730 1.728864       0.9731798 
1 1 1 12 16 8  o 14.617  0.4907 78.374    5.2569  76.020    7.5794   80.556    7.2974   14.388  0.7187 14.813  0.6721 -0.4248714     0.9839833 
1 1 1 12 16 9  o 25.133  0.5845 231.811   10.767  220.888   14.824   244.010   15.666   24.516  0.8249 25.767  0.8295 -1.250828      1.169850  
1 1 1 12 16 10 f 10.873  0.5659 43.506    4.4946  39.663    5.9547   48.593    6.8519   10.359  0.7902 11.469  0.8205 -1.109951      1.139103  
1 1 1 12 16 11 o 10.751  0.7330 42.655    5.7413  42.550    7.7088   42.787    8.6036   10.707  0.9937 10.719  1.1112 -0.1289368E-01 1.490649  
1 1 1 12 16 12 o 12.109  0.5886 53.820    5.2237  58.603    8.5077   50.925    6.6181   12.587  0.9288 11.747  0.7730 0.8400440      1.208343  
1 1 1 12 16 13 o 41.634  0.8632 637.516   26.341  606.980   35.808   673.526   38.885   40.556  1.2046 42.713  1.2421 -2.156105      1.730257  
1 1 1 12 16 14 o 33.453  0.7233 411.222   17.735  410.809   25.175   411.629   24.989   33.392  1.0286 33.427  1.0199 -0.3480911E-01 1.448558  
1 1 1 12 16 15 o 24.419  0.8225 219.322   14.721  183.342   24.268   240.268   18.517   22.185  1.5013 25.538  0.9892 -3.353340      1.797881  
1 1 1 12 16 16 o 28.410  0.6549 296.549   13.637  306.733   19.929   287.583   18.700   28.856  0.9423 27.945  0.9130 0.9108524      1.312042  
1 1 1 12 16 17 o 24.645  0.6022 223.134   10.878  227.604   15.722   219.030   15.066   24.859  0.8628 24.389  0.8428 0.4699535      1.206124  
1 1 1 12 16 18 o 9.1850  0.7631 31.268    5.0910  27.988    6.5611   36.231    8.0706   8.6390  1.0583 9.8297  1.1414 -1.190768      1.556558  
1 1 1 12 16 19 o 20.553  0.5985 155.284   9.0161  146.195   11.762   168.234   14.040   19.918  0.8057 21.352  0.8971 -1.434504      1.205764  
1 1 1 12 16 20 o 11.474  0.5881 48.525    4.9288  59.726    7.6586   40.605    6.4396   12.700  0.8273 10.458  0.8474 2.241760       1.184263  
1 1 1 12 17 0  o 8.3927  0.8151 26.567    4.9057  33.829    9.4752   23.908    5.7341   9.2374  1.5242 7.8688  1.0458 0.000000       0.000000  
1 1 1 12 17 1  o 40.929  0.8381 615.515   25.141  604.016   34.977   627.807   36.163   40.494  1.1785 41.281  1.1952 -0.7867889     1.678462  
1 1 1 12 17 2  f 20.741  0.5107 157.812   7.7640  157.607   10.039   158.119   12.248   20.721  0.6610 20.746  0.8055 -0.2549744E-01 1.041940  
1 1 1 12 17 3  o 6.6845  0.7234 16.599    3.4877  15.134    5.4388   17.622    4.5453   6.3024  1.2215 6.8614  0.9276 -0.5589867     1.533751  
1 1 1 12 17 4  o 26.170  0.7371 251.526   14.139  256.314   22.964   248.603   17.944   26.373  1.1880 26.000  0.9416 0.3731422      1.515861  
1 1 1 12 17 5  o 27.181  0.7587 271.404   15.116  285.331   20.417   254.510   22.487   27.846  1.0004 26.280  1.1674 1.566288       1.537403  
1 1 1 12 17 6  o 11.105  0.5117 45.247    4.1647  56.966    6.5975   37.483    5.3699   12.432  0.7272 10.075  0.7322 2.357077       1.031926  
1 1 1 12 17 7  o 39.981  0.8281 587.593   24.265  556.560   32.725   625.493   36.165   38.856  1.1491 41.181  1.1982 -2.325478      1.660101  
1 1 1 12 17 8  f 18.902  0.5117 131.090   7.0891  123.946   9.9282   138.521   10.126   18.368  0.7375 19.419  0.7114 -1.051613      1.024658  
1 1 1 12 17 9  o 14.624  0.4969 78.466    5.3264  72.313    7.4347   84.954    7.6347   14.011  0.7265 15.209  0.6849 -1.197589      0.9984037 
1 1 1 12 17 10 f 20.103  0.5653 148.332   8.3293  157.876   11.521   137.881   12.056   20.726  0.7584 19.363  0.8495 1.363747       1.138750  
1 1 1 12 17 11 o 23.753  0.7414 207.337   12.907  202.738   16.649   214.266   20.435   23.465  0.9680 24.098  1.1569 -0.6335678     1.508498  
1 1 1 12 17 12 o 11.721  0.6065 50.579    5.1928  51.022    8.3558   50.300    6.6283   11.729  0.9810 11.671  0.7793 0.5814552E-01  1.252843  
1 1 1 12 17 13 f 18.600  0.5217 126.983   7.1122  125.460   10.126   128.466   9.9917   18.474  0.7478 18.696  0.7292 -0.2214050     1.044455  
1 1 1 12 17 14 o 16.670  0.5273 102.004   6.4424  110.072   9.5621   95.297    8.7181   17.301  0.7540 16.100  0.7388 1.201963       1.055646  
1 1 1 12 17 15 o 19.215  1.1541 136.951   16.178  130.163   20.182   149.157   27.062   18.656  1.4883 19.866  1.8809 -1.209740      2.398523  
1 1 1 12 17 16 o 25.206  0.6162 233.497   11.385  239.302   16.365   228.053   15.848   25.481  0.8762 24.876  0.8692 0.6049938      1.234226  
1 1 1 12 17 17 o 15.013  0.5388 82.798    5.9286  79.613    8.5150   85.796    8.2594   14.679  0.7944 15.266  0.7382 -0.5867748     1.084410  
1 1 1 12 17 18 o 19.822  0.5579 144.403   8.1059  142.289   11.516   146.479   11.412   19.646  0.7997 19.936  0.7809 -0.2898960     1.117778  
1 1 1 12 17 19 o 15.958  0.5497 93.608    6.4301  90.084    9.2351   96.924    8.9584   15.608  0.8101 16.218  0.7536 -0.6099453     1.106424  
1 1 1 12 18 0  o 9.1921  0.7642 31.645    5.0670  35.683    9.7203   30.138    5.9375   9.5071  1.5087 8.9166  0.9318 0.000000       0.000000  
1 1 1 12 18 1  o 4.3351  0.9845 7.1942    3.0568  7.2697    4.4092   7.1243    4.2416   4.3978  1.2863 4.3483  1.2587 0.4948950E-01  1.799723  
1 1 1 12 18 2  o 21.733  0.5277 173.328   8.4064  176.597   12.262   170.429   11.547   21.921  0.7632 21.537  0.7315 0.3837872      1.057112  
1 1 1 12 18 3  o 24.176  0.6077 214.574   10.768  202.041   14.067   232.309   16.734   23.442  0.8187 25.127  0.9086 -1.685324      1.223060  
1 1 1 12 18 4  o 10.228  0.7142 38.621    5.3205  30.433    7.9001   45.418    7.1975   8.9983  1.2300 11.075  0.8943 -2.077020      1.520759  
1 1 1 12 18 5  f 20.718  0.5643 157.547   8.5695  165.923   10.761   143.028   14.168   21.253  0.6908 19.709  0.9808 1.544123       1.199648  
1 1 1 12 18 6  o 37.158  0.7740 507.532   21.081  503.569   29.777   511.514   29.850   36.957  1.0993 37.248  1.0934 -0.2916145     1.550421  
1 1 1 12 18 7  o 2.7403  1.0652 1.7084    3.0699  -2.1225   4.6387   4.6936    4.0949   2.6140  1.1715 3.7090  1.2606 -1.094925      1.720932  
1 1 1 12 18 8  o 25.410  0.5832 237.049   10.861  237.077   15.500   237.021   15.224   25.388  0.8329 25.386  0.8182 0.1356125E-02  1.167566  
1 1 1 12 18 9  o 27.738  0.6226 282.559   12.657  283.488   18.014   281.653   17.788   27.754  0.8855 27.665  0.8773 0.8891678E-01  1.246490  
1 1 1 12 18 10 o 3.9413  1.2743 5.5732    4.1969  10.178    5.0878   -4.2327   7.4244   5.1489  1.3365 3.2157  1.4579 1.933254       1.977798  
1 1 1 12 18 11 o 18.906  0.6777 131.346   9.3915  125.420   12.013   140.663   15.061   18.457  0.8880 19.500  1.0577 -1.042755      1.381065  
1 1 1 12 18 12 o 6.1635  1.0338 14.388    4.5048  13.275    6.4283   15.463    6.3147   5.8667  1.4916 6.3363  1.3973 -0.4695878     2.043825  
1 1 1 12 18 13 o 16.036  0.5326 94.420    6.2598  92.182    8.6119   96.928    9.1149   15.831  0.7422 16.231  0.7662 -0.4004879     1.066701  
1 1 1 12 18 14 o 20.090  0.5919 148.302   8.7157  146.279   13.712   149.673   11.290   19.914  0.9394 20.166  0.7638 -0.2517204     1.210750  
1 1 1 12 18 15 o 22.582  0.6264 187.510   10.369  176.110   13.252   205.505   16.650   21.858  0.8272 23.588  0.9630 -1.729883      1.269503  
1 1 1 12 18 16 o 33.515  0.7371 413.727   18.108  414.560   25.655   412.900   25.562   33.463  1.0460 33.397  1.0442 0.6651688E-01  1.478021  
1 1 1 12 18 17 o 7.5592  0.7402 21.255    4.0486  32.279    6.2578   13.320    5.3094   9.2992  0.9306 5.8714  1.2706 3.427851       1.574969  
1 1 1 12 18 18 o 11.659  0.5691 49.989    4.8632  53.869    7.1762   46.694    6.6134   12.055  0.8170 11.221  0.8096 0.8341494      1.150168  
1 1 1 12 19 0  o 19.982  0.7199 147.105   10.512  170.629   22.384   140.449   11.907   21.373  1.4440 19.504  0.8364 0.000000       0.000000  
1 1 1 12 19 1  o 20.219  0.5091 150.035   7.5455  147.924   10.685   152.135   10.657   20.062  0.7267 20.346  0.7146 -0.2845249     1.019157  
1 1 1 12 19 2  f 3.4152  1.1523 4.0094    3.4212  11.315    6.1175   0.6849    4.1269   5.4377  1.4905 2.8656  1.1912 2.572037       1.908014  
1 1 1 12 19 3  o 44.048  1.0449 715.380   33.736  691.289   46.881   741.252   48.584   43.168  1.4817 44.700  1.4829 -1.532318      2.096269  
1 1 1 12 19 4  o 9.1946  0.6913 31.240    4.6247  34.923    6.5020   27.470    6.5794   9.6947  0.9263 8.5645  1.0716 1.130273       1.416418  
1 1 1 12 19 5  o 9.7538  0.6969 35.140    4.9495  34.849    6.9694   35.436    7.0304   9.6734  0.9973 9.7554  0.9973 -0.8194256E-01 1.410333  
1 1 1 12 19 6  o 12.670  0.5955 58.955    5.5301  55.907    8.0298   61.706    7.6271   12.290  0.8976 12.926  0.8091 -0.6362448     1.208444  
1 1 1 12 19 7  o 14.975  0.4978 82.309    5.4635  78.971    7.9113   85.352    7.5541   14.637  0.7398 15.240  0.6763 -0.6032047     1.002338  
1 1 1 12 19 8  o 11.680  0.5140 50.079    4.4004  53.757    6.5343   47.026    5.9525   12.068  0.7423 11.287  0.7233 0.7815962      1.036455  
1 1 1 12 19 9  o 25.383  0.5913 236.650   11.001  242.274   15.950   231.547   15.193   25.653  0.8483 25.082  0.8264 0.5714626      1.184278  
1 1 1 12 19 10 f 26.801  0.6231 263.915   12.239  248.210   16.724   282.026   17.959   25.958  0.8790 27.668  0.8856 -1.710728      1.247774  
1 1 1 12 19 11 o 5.0033  1.1400 9.6242    4.0874  9.7617    5.0739   9.3700    6.8987   5.0414  1.3473 5.0707  1.6331 -0.2930546E-01 2.117160  
1 1 1 12 19 12 o 11.376  0.6735 47.761    5.5913  58.526    8.4771   39.471    7.4388   12.562  0.9272 10.291  0.9987 2.270748       1.362806  
1 1 1 12 19 13 o 23.511  0.6101 203.233   10.514  197.376   13.990   210.835   15.938   23.138  0.8249 23.899  0.9099 -0.7605801     1.228131  
1 1 1 12 19 14 o 24.472  0.8294 220.934   14.876  197.773   25.516   232.860   18.310   22.927  1.5271 25.088  0.9958 -2.160467      1.823101  
1 1 1 12 19 15 o 29.086  0.6678 311.479   14.237  302.827   19.963   320.435   20.311   28.611  0.9519 29.434  0.9414 -0.8230362     1.338820  
1 1 1 12 19 16 o 17.738  0.5370 115.676   6.9812  122.811   10.363   109.749   9.4461   18.245  0.7749 17.252  0.7470 0.9934044      1.076388  
1 1 1 12 19 17 o 5.6806  0.9486 12.256    3.8104  12.975    5.7428   11.691    5.0930   5.7770  1.3759 5.4906  1.2878 0.2864251      1.884582  
1 1 1 12 20 0  o 27.377  1.2241 277.639   24.451  280.916   34.349   274.273   34.812   27.395  1.7264 27.050  1.7733 0.000000       0.000000  
1 1 1 12 20 1  o 6.9180  0.8615 17.892    4.2737  18.909    9.4073   17.628    4.7973   6.9803  1.8200 6.8453  0.9845 0.1349988      2.069168  
1 1 1 12 20 2  o 17.391  0.6447 111.147   8.2176  110.066   13.796   111.742   10.230   17.228  1.0983 17.425  0.8010 -0.1969128     1.359351  
1 1 1 12 20 3  o 24.103  0.7961 213.801   14.064  210.540   27.954   214.905   16.273   23.713  1.6180 24.149  0.9194 -0.4358654     1.860961  
1 1 1 12 20 4  o 34.109  0.9100 428.724   22.751  459.441   31.277   394.210   33.154   35.236  1.2110 32.590  1.3879 2.646255       1.842013  
1 1 1 12 20 5  o 12.367  0.5018 56.148    4.5490  56.545    6.8636   55.838    6.0748   12.374  0.7604 12.306  0.6761 0.6818199E-01  1.017510  
1 1 1 12 20 6  o 21.573  0.5436 170.906   8.5948  173.182   12.566   168.904   11.782   21.692  0.7904 21.427  0.7502 0.2650108      1.089695  
1 1 1 12 20 7  o 8.2713  0.6290 25.288    3.7849  24.092    5.7330   26.212    5.0391   8.0190  0.9969 8.3961  0.8297 -0.3770781     1.296999  
1 1 1 12 20 8  o 7.8468  0.6586 22.797    3.7530  30.695    5.8194   17.172    4.9106   9.0828  0.8854 6.7438  1.0258 2.339024       1.355052  
1 1 1 12 20 9  o 23.089  0.5678 195.878   9.6085  187.713   13.374   204.589   13.813   22.574  0.8083 23.568  0.7997 -0.9942093     1.137029  
1 1 1 12 20 10 o 25.314  0.5998 235.572   11.128  219.204   15.054   255.292   16.524   24.383  0.8423 26.311  0.8568 -1.927914      1.201536  
1 1 1 12 20 11 o 11.404  0.5768 47.934    4.8056  49.652    6.6510   46.056    6.9514   11.579  0.7883 11.139  0.8580 0.4401426      1.165193  
1 1 1 12 20 12 o 28.583  0.8494 301.632   17.794  292.288   22.605   316.856   28.853   28.067  1.0988 29.131  1.3513 -1.064272      1.741660  
1 1 1 12 20 13 o 18.186  0.6193 121.726   8.2557  116.593   12.195   126.068   11.216   17.726  0.9421 18.477  0.8282 -0.7517262     1.254348  
1 1 1 12 20 14 f 12.933  0.6580 61.771    6.2167  65.437    9.0285   58.465    8.5727   13.263  0.9347 12.532  0.9402 0.7312288      1.325775  
1 1 1 12 20 15 o 10.870  0.5795 43.597    4.6006  39.507    6.4687   47.784    6.5445   10.301  0.8648 11.349  0.7917 -1.047782      1.172437  
1 1 1 12 21 0  o 8.1187  0.8686 25.043    5.0197  23.912    9.2538   25.514    5.9752   7.3542  1.9863 8.1311  1.0509 0.000000       0.000000  
1 1 1 12 21 1  o 11.907  0.5106 52.066    4.4563  51.772    6.4761   52.331    6.1415   11.836  0.7504 11.905  0.7070 -0.6951332E-01 1.030961  
1 1 1 12 21 2  o 18.780  0.5589 129.577   7.6929  113.140   11.646   142.299   10.246   17.489  0.9117 19.665  0.7109 -2.176167      1.156072  
1 1 1 12 21 3  o 32.237  0.8698 383.184   20.553  372.730   45.381   385.882   23.053   31.339  1.9859 32.326  0.9730 -0.9865494     2.211442  
1 1 1 12 21 4  o 13.584  0.6759 67.880    6.7301  60.172    9.7202   74.977    9.3275   12.714  1.0526 14.228  0.8990 -1.514843      1.384254  
1 1 1 12 21 5  o 18.518  0.5127 125.954   6.9585  129.941   10.372   122.690   9.3840   18.785  0.7533 18.259  0.7012 0.5258293      1.029122  
1 1 1 12 21 6  o 20.807  0.5402 159.069   8.2387  160.613   12.116   157.741   11.236   20.877  0.7918 20.697  0.7407 0.1804085      1.084222  
1 1 1 12 21 7  o 20.764  0.5421 158.446   8.2508  151.058   11.629   165.937   11.709   20.244  0.7837 21.223  0.7527 -0.9783020     1.086617  
1 1 1 12 21 8  o 8.5098  0.6223 26.783    3.8544  24.620    5.8188   28.475    5.1451   8.0958  1.0020 8.7489  0.8116 -0.6531143     1.289449  
1 1 1 12 21 9  o 3.2418  1.1537 3.3704    3.4502  0.6713    5.2644   5.4025    4.5679   3.1865  1.3365 3.9359  1.3315 -0.7494235     1.886571  
1 1 1 12 21 10 o 29.079  0.6541 311.394   13.942  309.235   19.841   313.499   19.595   28.904  0.9365 29.108  0.9185 -0.2040882     1.311729  
1 1 1 12 21 11 o 13.046  0.5695 62.613    5.4458  67.514    7.7560   57.848    7.6482   13.500  0.7872 12.483  0.8408 1.016850       1.151816  
1 1 1 12 21 12 o 7.1106  0.9120 19.021    4.6435  14.937    5.7362   26.785    7.9089   6.2067  1.3024 8.3581  1.3360 -2.151407      1.865815  
1 1 1 12 21 13 o 14.462  0.8209 77.561    8.6659  80.218    15.200   76.282    10.548   14.533  1.4461 14.298  1.0131 0.2350883      1.765678  
1 1 1 12 22 0  f 11.798  0.7229 51.719    6.1977  38.373    10.766   58.334    7.5796   9.7922  1.6377 12.511  0.8351 0.000000       0.000000  
1 1 1 12 22 1  o 31.315  0.6812 361.136   15.636  358.027   22.111   364.244   22.114   31.102  0.9699 31.374  0.9616 -0.2714882     1.365824  
1 1 1 12 22 2  o 9.2616  0.6474 31.729    4.3675  31.830    7.4996   31.677    5.3725   9.1890  1.1378 9.2313  0.8020 -0.4224968E-01 1.392059  
1 1 1 12 22 3  o 21.135  0.6705 164.504   10.387  160.960   23.270   165.386   11.607   20.634  1.5499 21.179  0.7478 -0.5443401     1.720851  
1 1 1 12 22 4  o 27.277  0.6752 274.078   13.499  243.960   19.240   303.283   18.945   25.650  1.0234 28.636  0.9026 -2.986151      1.364542  
1 1 1 12 22 5  o 8.0264  0.6622 23.888    3.8610  24.839    6.7553   23.427    4.7053   8.0886  1.1737 7.9228  0.8222 0.1657939      1.433074  
1 1 1 12 22 6  o 32.837  0.7134 397.586   17.170  409.797   25.188   386.987   23.468   33.226  1.0343 32.305  0.9911 0.9211311      1.432501  
1 1 1 12 22 7  o 11.226  0.5471 46.357    4.5014  39.496    6.5687   52.431    6.1808   10.295  0.8789 11.902  0.7117 -1.607247      1.130962  
1 1 1 12 22 8  o 5.4818  0.9481 11.449    3.6716  1.7503    5.6182   18.679    4.8507   3.4404  1.4057 7.0335  0.9665 -3.593115      1.705913  
1 1 1 12 22 9  o 17.038  0.5222 106.781   6.5216  110.053   9.6993   104.081   8.8105   17.261  0.7667 16.794  0.7157 0.4663715      1.048837  
1 1 1 12 22 10 o 24.502  0.5919 221.096   10.631  221.746   15.282   220.487   14.798   24.474  0.8519 24.411  0.8270 0.6249046E-01  1.187339  
1 1 1 12 22 11 o 13.800  0.5346 70.073    5.4070  74.305    8.1132   66.692    7.2523   14.157  0.7850 13.419  0.7402 0.7383661      1.078932  
1 1 1 12 23 0  o 19.097  0.7480 134.787   10.433  119.167   19.192   141.339   12.431   17.710  1.5034 19.529  0.8724 0.000000       0.000000  
1 1 1 12 23 1  o 13.180  0.5049 63.888    4.8771  59.251    6.8698   68.600    6.9251   12.645  0.7445 13.618  0.6961 -0.9732437     1.019254  
1 1 1 12 23 2  o 17.846  0.5649 117.234   7.3884  110.409   11.435   122.127   9.6806   17.234  0.9084 18.188  0.7262 -0.9534397     1.163012  
1 1 1 12 23 3  o 21.153  0.6747 165.044   10.460  175.069   24.597   162.831   11.557   21.429  1.5771 20.995  0.7511 0.4345570      1.746771  
1 1 1 12 23 4  o 2.1231  0.9888 -3.4087   3.7493  -6.8796   5.9498   -1.1224   4.8288   2.5359  1.2011 2.7891  1.2253 -0.2531765     1.715808  
1 1 1 12 23 5  o 16.881  0.5197 104.850   6.4300  93.020    10.387   112.202   8.1875   15.813  0.8999 17.445  0.6403 -1.632013      1.104452  
1 1 1 12 23 6  o 8.9719  0.6299 29.820    4.1162  20.339    7.0441   34.737    5.0722   7.2349  1.3787 9.6716  0.7207 -2.436766      1.555699  
1 1 1 12 23 7  o 9.0958  0.6221 30.639    4.1225  38.653    6.4827   25.198    5.3418   10.174  0.8780 8.1930  0.9046 1.980694       1.260610  
1 1 1 12 23 8  o 13.519  0.5319 67.268    5.2704  64.465    7.8068   69.615    7.1442   13.173  0.8125 13.712  0.7133 -0.5387516     1.081225  
1 1 1 12 23 9  o 22.862  0.5780 192.505   9.6845  192.423   13.944   192.582   13.461   22.795  0.8346 22.812  0.8051 -0.1764488E-01 1.159574  
1 1 1 12 24 0  o 15.752  0.7191 91.892    8.2634  98.305    16.538   89.758    9.5395   16.060  1.4311 15.537  0.8434 0.000000       0.000000  
1 1 1 12 24 1  o 11.581  0.5270 49.379    4.4734  47.789    6.3916   50.905    6.2631   11.338  0.7738 11.711  0.7333 -0.3736029     1.066066  
1 1 1 12 24 2  o 5.4223  1.0145 11.297    3.8836  1.3882    6.7692   16.159    4.7416   3.6500  1.5221 6.5085  1.0281 -2.858584      1.836747  
1 1 1 12 24 3  o 13.524  0.6688 67.527    6.6302  0.0000    0.0000   67.527    6.6302   ?       ?      13.524  0.6688 0.000000       0.6688397 
1 1 1 12 24 4  o 19.616  0.5916 141.826   8.5051  128.520   12.570   153.061   11.550   18.597  0.9222 20.336  0.7749 -1.739405      1.204548  
1 1 1 13 0  1  o 50.275  2.0301 931.812   74.530  931.812   74.530   0.0000    0.0000   50.275  2.0301 50.275  2.0301 0.000000       0.000000  
1 1 1 13 0  2  o 97.795  3.9306 3536.03   280.708 3536.03   280.708  0.0000    0.0000   97.795  3.9306 97.795  3.9306 0.000000       0.000000  
1 1 1 13 0  3  o 64.503  2.5733 1534.70   121.219 1534.70   121.219  0.0000    0.0000   64.503  2.5733 64.503  2.5733 0.000000       0.000000  
1 1 1 13 0  4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 13 0  5  o 27.816  1.2398 285.357   25.163  0.0000    0.0000   285.357   25.163   27.816  1.2398 27.816  1.2398 0.000000       0.000000  
1 1 1 13 0  6  o 30.180  1.3016 335.816   28.671  337.560   40.827   334.119   40.272   30.163  1.8630 30.010  1.8469 0.000000       0.000000  
1 1 1 13 0  7  o 43.753  1.2769 703.704   40.870  636.024   73.212   734.343   49.260   41.410  2.4313 44.672  1.5083 0.000000       0.000000  
1 1 1 13 0  8  o 33.450  1.0082 411.314   24.667  435.425   50.824   403.884   28.213   34.266  2.0401 33.129  1.1651 0.000000       0.000000  
1 1 1 13 0  9  o 44.851  1.2922 739.465   42.401  748.733   84.945   736.390   48.933   44.926  2.5996 44.734  1.4962 0.000000       0.000000  
1 1 1 13 0  10 o 10.307  0.8381 39.713    6.2353  45.132    11.231   37.298    7.4968   10.792  1.5032 9.9194  1.0618 0.000000       0.000000  
1 1 1 13 0  11 o 126.267 3.5165 5886.42   324.880 5749.53   632.755  5935.42   378.592  123.411 7.0478 126.628 4.0887 0.000000       0.000000  
1 1 1 13 0  12 o 52.090  1.4864 997.844   56.648  921.123   104.086  1030.13   67.524   49.793  2.8739 52.894  1.7460 0.000000       0.000000  
1 1 1 13 0  13 o 11.296  0.9346 47.739    7.6159  0.0000    0.0000   47.739    7.6159   11.296  0.9346 11.296  0.9346 0.000000       0.000000  
1 1 1 13 0  14 o 37.182  1.1052 508.380   30.059  464.225   54.301   527.888   36.094   35.354  2.1128 37.866  1.3040 0.000000       0.000000  
1 1 1 13 0  15 o 14.610  0.7526 78.877    8.0107  80.978    13.897   77.831    9.8033   14.681  1.3157 14.479  0.9326 0.000000       0.000000  
1 1 1 13 0  16 o 36.280  1.0901 484.198   28.927  481.440   56.081   485.198   33.766   35.980  2.1440 36.292  1.2729 0.000000       0.000000  
1 1 1 13 0  17 o 28.172  1.3081 293.290   26.878  257.455   32.254   374.738   48.625   26.303  1.6890 31.691  2.1150 0.000000       0.000000  
1 1 1 13 0  18 o 64.961  2.6229 1567.14   124.423 0.0000    0.0000   1567.14   124.423  64.961  2.6229 64.961  2.6229 0.000000       0.000000  
1 1 1 13 0  19 o 19.339  0.8750 138.045   12.345  147.925   20.479   132.405   15.473   19.913  1.4197 18.891  1.1266 0.000000       0.000000  
1 1 1 13 0  20 o 56.079  1.6079 1159.83   65.966  1197.39   134.234  1147.87   75.744   56.436  3.2702 55.730  1.8590 0.000000       0.000000  
1 1 1 13 0  21 f 11.623  0.8213 50.297    6.9164  64.072    11.874   43.224    8.5088   13.023  1.2718 10.679  1.1149 0.000000       0.000000  
1 1 1 13 0  22 o 10.354  0.8755 40.176    6.5346  46.323    10.459   36.240    8.3689   10.984  1.3545 9.7063  1.2302 0.000000       0.000000  
1 1 1 13 0  23 o 13.459  0.7980 67.163    7.8088  85.111    14.112   59.242    9.3749   15.048  1.3019 12.575  1.0331 0.000000       0.000000  
1 1 1 13 0  24 o 14.632  0.8079 79.298    8.6034  76.992    14.171   80.644    10.827   14.264  1.3854 14.712  1.0152 0.000000       0.000000  
1 1 1 13 0  25 o 8.9238  1.1197 30.632    7.0108  18.108    10.474   40.799    9.4369   5.8982  2.4394 10.287  1.3095 0.000000       0.000000  
1 1 1 13 0  26 o 32.943  1.2242 401.202   29.466  417.969   49.750   392.141   36.571   33.372  2.0516 32.484  1.5439 0.000000       0.000000  
1 1 1 13 1  0  o 10.017  1.1788 38.289    8.3405  38.289    8.3405   0.0000    0.0000   10.017  1.1788 10.017  1.1788 0.000000       0.000000  
1 1 1 13 1  1  o 97.199  2.7158 3475.78   193.485 3429.93   272.468  3522.43   274.805  96.367  3.8575 97.661  3.8390 -1.294403      5.442306  
1 1 1 13 1  2  o 92.883  2.5732 3172.80   175.186 3222.57   251.458  3125.86   244.203  93.440  3.6716 92.037  3.6200 1.403664       5.156043  
1 1 1 13 1  3  o 83.366  3.2846 2561.68   200.701 2561.68   200.701  0.0000    0.0000   83.366  3.2846 ?       ?      0.000000       3.284587  
1 1 1 13 1  4  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 13 1  5  o 87.398  2.8243 2811.92   180.922 3254.38   358.480  2660.70   209.570  93.368  5.2597 84.936  3.3663 8.432465       6.244687  
1 1 1 13 1  6  o 55.592  1.2884 1133.72   52.497  1216.87   96.296   1098.55   62.621   57.535  2.2835 54.711  1.5616 2.824242       2.766358  
1 1 1 13 1  7  o 73.597  1.4533 1987.56   78.397  2049.90   114.366  1932.30   107.676  74.691  2.0890 72.523  2.0256 2.168411       2.909865  
1 1 1 13 1  8  o 61.833  1.2301 1402.51   55.752  1416.78   79.903   1388.97   77.828   62.116  1.7550 61.506  1.7264 0.6105576      2.461797  
1 1 1 13 1  9  o 43.695  0.8971 700.086   28.732  720.700   41.688   681.434   39.655   44.321  1.2833 43.098  1.2553 1.223244       1.795172  
1 1 1 13 1  10 o 48.739  0.9895 871.218   35.349  947.721   53.685   812.664   46.967   50.814  1.4414 47.058  1.3617 3.755844       1.982912  
1 1 1 13 1  11 o 67.819  1.3478 1688.17   66.997  1772.89   99.070   1616.78   90.945   69.442  1.9464 66.323  1.8708 3.119835       2.699741  
1 1 1 13 1  12 o 40.074  0.8314 588.919   24.419  636.914   37.028   551.977   32.485   41.659  1.2126 38.785  1.1427 2.874157       1.666218  
1 1 1 13 1  13 o 98.301  1.9479 3555.73   140.347 3878.75   214.124  3312.43   185.831  102.432 2.8520 94.708  2.6770 7.724022       3.911541  
1 1 1 13 1  14 o 80.200  1.5845 2364.72   93.139  2274.34   126.750  2470.80   137.322  78.536  2.2019 81.838  2.2893 -3.301590      3.176379  
1 1 1 13 1  15 o 58.954  1.1887 1276.49   51.365  1186.03   67.530   1400.68   79.121   56.774  1.6228 61.677  1.7502 -4.903728      2.386776  
1 1 1 13 1  16 o 62.624  1.3386 1442.05   61.443  1533.46   86.143   1347.38   87.665   64.487  1.8225 60.415  1.9797 4.072441       2.690866  
1 1 1 13 1  17 o 61.924  1.4371 1411.73   65.228  1432.08   114.114  1401.85   79.495   62.079  2.5079 61.637  1.7596 0.4428177      3.063630  
1 1 1 13 1  18 o 9.2092  0.7439 31.327    4.9787  42.886    8.0447   24.151    6.3384   10.754  1.0333 8.0308  1.1062 2.723322       1.513720  
1 1 1 13 1  19 o 20.428  0.5553 153.069   8.3138  159.269   11.988   147.323   11.540   20.829  0.7852 20.032  0.7859 0.7963829      1.110992  
1 1 1 13 1  20 o 10.870  0.5886 43.477    4.6723  39.186    6.5016   48.059    6.7189   10.292  0.8700 11.412  0.8085 -1.119604      1.187688  
1 1 1 13 1  21 o 34.342  0.7485 433.016   18.841  432.070   26.566   433.972   26.725   34.274  1.0575 34.348  1.0615 -0.7486343E-01 1.498388  
1 1 1 13 1  22 o 57.391  1.1634 1212.86   48.939  1272.55   72.431   1162.71   66.385   58.634  1.6854 56.069  1.6153 2.564903       2.334476  
1 1 1 13 1  23 o 31.145  0.7080 356.220   16.163  328.581   21.558   391.705   24.427   29.884  0.9842 32.624  1.0215 -2.739582      1.418516  
1 1 1 13 1  24 o 49.646  1.0241 908.002   37.266  911.288   52.884   904.761   52.521   49.605  1.4545 49.429  1.4497 0.1762657      2.053559  
1 1 1 13 1  25 o 15.860  0.6465 92.408    7.5160  105.768   11.810   83.313    9.7443   16.917  0.9563 15.018  0.8892 1.899820       1.305855  
1 1 1 13 1  26 o 37.032  0.8048 504.599   21.845  545.773   38.306   484.755   26.594   38.372  1.3620 36.258  1.0007 2.114109       1.690100  
1 1 1 13 2  0  o 107.125 4.2247 4245.04   330.547 4245.04   330.547  0.0000    0.0000   107.125 4.2247 107.125 4.2247 0.000000       0.000000  
1 1 1 13 2  1  o 226.417 6.3895 19196.26  1060.37 21123.99  1645.73  17827.89  1386.55  234.422 9.5781 216.193 8.7501 18.22928       12.97323  
1 1 1 13 2  2  o 52.682  1.7235 1018.74   66.551  1157.48   129.294  968.737   77.624   55.961  3.1652 51.355  2.0622 4.606125       3.777691  
1 1 1 13 2  3  o 69.545  2.7758 1779.94   141.494 1779.94   141.494  0.0000    0.0000   69.545  2.7758 ?       ?      0.000000       2.775800  
1 1 1 13 2  4  o 109.277 6.1894 4483.13   493.708 4483.13   493.708  0.0000    0.0000   109.277 6.1894 ?       ?      0.000000       6.189391  
1 1 1 13 2  5  o 39.074  1.1320 559.934   32.420  590.378   48.093   534.575   43.892   40.106  1.6360 38.166  1.5690 1.940094       2.266830  
1 1 1 13 2  6  o 56.574  1.4248 1174.37   59.083  1222.19   96.876   1146.05   74.553   57.659  2.2923 55.866  1.8207 1.792862       2.927378  
1 1 1 13 2  7  o 95.551  1.8927 3353.28   132.555 3222.85   181.790  3501.35   193.698  93.576  2.6505 97.526  2.7097 -3.949844      3.790474  
1 1 1 13 2  8  o 53.734  1.0761 1058.95   42.383  1117.23   62.963   1010.67   57.312   55.171  1.5570 52.477  1.4900 2.693424       2.155106  
1 1 1 13 2  9  o 79.724  1.5724 2333.30   91.880  2383.41   132.406  2286.77   127.603  80.504  2.2439 78.860  2.2076 1.644608       3.147823  
1 1 1 13 2  10 o 35.427  0.7474 460.163   19.406  469.852   27.923   451.110   26.991   35.790  1.0644 35.070  1.0500 0.7206993      1.495170  
1 1 1 13 2  11 o 36.453  0.7667 487.228   20.484  488.438   29.026   486.027   28.912   36.489  1.0853 36.399  1.0837 0.9011459E-01  1.533699  
1 1 1 13 2  12 o 28.024  0.6275 287.929   12.890  282.432   18.016   293.694   18.450   27.750  0.8858 28.298  0.8895 -0.5477314     1.255337  
1 1 1 13 2  13 f 46.416  0.9493 790.331   32.295  749.697   43.465   840.410   48.254   45.186  1.3124 47.837  1.3762 -2.651192      1.901641  
1 1 1 13 2  14 o 39.151  0.8727 562.316   25.044  542.469   32.206   592.676   39.833   38.441  1.1431 40.166  1.3530 -1.725723      1.771224  
1 1 1 13 2  15 o 90.578  1.7846 3021.90   118.479 3064.83   169.793  2981.16   165.402  90.982  2.5461 89.743  2.5145 1.239281       3.578520  
1 1 1 13 2  16 o 31.898  0.6987 373.244   16.337  380.876   23.482   366.084   22.743   32.207  0.9947 31.576  0.9827 0.6309052      1.398224  
1 1 1 13 2  17 o 19.191  0.7746 135.152   10.895  164.926   21.851   125.301   12.569   21.118  1.4199 18.449  0.9325 2.669474       1.698707  
1 1 1 13 2  18 o 31.814  0.8885 371.672   20.718  389.169   27.944   350.310   30.876   32.530  1.1720 30.844  1.3658 1.686144       1.799678  
1 1 1 13 2  19 f 32.518  0.7117 388.099   16.964  386.318   23.911   389.904   24.073   32.420  1.0062 32.570  1.0084 -0.1499443     1.424534  
1 1 1 13 2  20 o 53.531  1.0887 1054.01   42.715  1105.01   63.190   1011.10   57.963   54.703  1.5760 52.343  1.5108 2.360031       2.183221  
1 1 1 13 2  21 o 9.1745  0.6564 31.049    4.3851  37.416    6.3628   25.289    6.0517   10.054  0.8721 8.2296  1.0255 1.824497       1.346189  
1 1 1 13 2  22 o 62.717  1.2614 1449.77   57.984  1416.01   80.022   1487.08   84.136   61.815  1.7662 63.328  1.8126 -1.513451      2.530819  
1 1 1 13 2  23 o 10.606  0.6317 41.441    4.8888  46.378    6.9919   36.719    6.8384   11.200  0.8583 9.9465  0.9495 1.253362       1.279936  
1 1 1 13 2  24 o 40.408  0.9925 601.388   29.396  613.742   51.886   595.549   35.674   40.612  1.7431 40.163  1.2118 0.4489632      2.122938  
1 1 1 13 2  25 o 21.095  0.9728 163.979   15.041  159.584   19.796   169.984   23.137   20.724  1.3100 21.350  1.4878 -0.6256428     1.982318  
1 1 1 13 2  26 o 21.366  0.7883 167.936   12.344  154.022   19.658   176.993   15.861   20.349  1.3253 21.910  0.9877 -1.561472      1.652811  
1 1 1 13 3  0  o 80.574  3.2124 2397.22   189.032 2397.22   189.032  0.0000    0.0000   80.574  3.2124 80.574  3.2124 0.000000       0.000000  
1 1 1 13 3  1  o 20.021  0.7155 146.944   10.499  142.880   14.436   151.508   15.297   19.714  1.0023 20.300  1.0315 -0.5862331     1.438272  
1 1 1 13 3  2  o 98.938  2.7745 3602.60   201.201 3277.72   259.714  4090.25   318.190  94.204  3.7614 105.151 4.1285 -10.94711      5.585004  
1 1 1 13 3  3  o 78.107  3.0785 2247.71   176.243 2247.71   176.243  0.0000    0.0000   78.107  3.0785 ?       ?      0.000000       3.078499  
1 1 1 13 3  4  o 70.473  2.7812 1828.19   143.658 1828.19   143.658  0.0000    0.0000   70.473  2.7812 ?       ?      0.000000       2.781160  
1 1 1 13 3  5  o 52.440  1.4921 1009.13   57.353  933.600   75.547   1111.86   88.113   50.410  2.0447 55.003  2.1856 -4.592850      2.992920  
1 1 1 13 3  6  o 47.966  1.1224 843.834   39.462  784.694   52.219   922.582   60.257   46.239  1.5408 50.133  1.6398 -3.893513      2.250118  
1 1 1 13 3  7  o 52.829  1.0614 1023.55   41.101  1029.19   58.547   1018.07   57.713   52.955  1.5084 52.669  1.4950 0.2860947      2.123729  
1 1 1 13 3  8  o 104.719 2.0591 4030.18   158.043 4173.33   230.077  3902.30   217.470  106.406 2.9500 102.906 2.8832 3.499893       4.124996  
1 1 1 13 3  9  o 76.243  1.5115 2133.86   84.466  2040.97   114.854  2243.28   124.652  74.508  2.1031 78.105  2.1774 -3.596664      3.027252  
1 1 1 13 3  10 o 80.365  1.5922 2371.72   93.789  2590.30   143.934  2210.43   123.641  83.889  2.3409 77.517  2.1761 6.371979       3.196152  
1 1 1 13 3  11 o 26.419  0.6079 255.882   11.772  271.091   17.365   242.948   16.014   27.188  0.8714 25.739  0.8488 1.449432       1.216498  
1 1 1 13 3  12 o 45.936  0.9352 774.002   31.488  766.042   44.109   782.274   44.965   45.679  1.3174 46.160  1.3290 -0.4807014     1.871325  
1 1 1 13 3  13 o 11.472  0.5413 48.247    4.5512  35.512    6.1062   64.164    6.8267   9.8022  0.8586 13.209  0.7077 -3.406852      1.112628  
1 1 1 13 3  14 f 32.075  0.6949 377.291   16.337  365.160   22.569   390.643   23.678   31.545  0.9761 32.626  0.9901 -1.081509      1.390376  
1 1 1 13 3  15 o 33.687  0.7273 416.245   17.959  404.746   24.836   428.848   25.999   33.204  1.0205 34.177  1.0379 -0.9733124     1.455528  
1 1 1 13 3  16 f 45.716  1.0151 767.525   34.014  722.781   42.588   846.344   56.524   44.333  1.3106 47.931  1.6089 -3.598171      2.075174  
1 1 1 13 3  17 o 46.748  1.3525 804.312   46.344  782.224   88.967   812.537   54.291   45.747  2.6648 46.950  1.5777 -1.202770      3.096841  
1 1 1 13 3  18 o 46.841  1.3615 808.066   46.745  805.772   54.162   814.761   92.540   46.734  1.5812 46.617  2.7202 0.1171303      3.146352  
1 1 1 13 3  19 o 17.201  0.5305 108.519   6.6885  115.703   9.8221   102.307   9.1334   17.754  0.7548 16.695  0.7464 1.059071       1.061536  
1 1 1 13 3  20 o 7.1194  0.7849 18.836    4.0276  19.526    5.6794   18.138    5.7126   7.2022  1.1117 6.9268  1.1666 0.2753258      1.611453  
1 1 1 13 3  21 o 68.200  1.5834 1719.12   79.151  1823.57   102.268  1563.08   124.995  70.070  1.9912 64.548  2.6420 5.522530       3.308346  
1 1 1 13 3  22 o 31.143  0.8158 356.313   18.622  356.575   26.603   356.060   26.077   31.114  1.1665 31.095  1.1441 0.1950073E-01  1.633975  
1 1 1 13 3  23 o 42.693  0.8983 670.273   28.110  714.849   42.066   634.308   37.785   44.007  1.3042 41.467  1.2432 2.539562       1.801768  
1 1 1 13 3  24 o 13.876  0.7888 71.016    7.9894  72.569    13.321   70.144    9.9844   13.948  1.3186 13.764  0.9965 0.1846209      1.652801  
1 1 1 13 3  25 o 18.075  0.8251 120.220   10.931  149.186   18.976   105.835   13.372   20.035  1.2992 16.900  1.0853 3.134287       1.692854  
1 1 1 13 3  26 o 35.428  0.7810 461.727   20.280  431.367   31.582   483.029   26.454   34.140  1.2621 36.193  0.9972 -2.053051      1.608517  
1 1 1 13 4  0  o 92.972  3.7070 3195.17   251.702 3195.17   251.702  0.0000    0.0000   92.972  3.7070 92.972  3.7070 0.000000       0.000000  
1 1 1 13 4  1  o 50.246  1.4308 926.305   52.692  862.033   69.724   1011.90   80.461   48.446  1.9635 52.481  2.0917 -4.034698      2.868936  
1 1 1 13 4  2  o 34.679  1.1797 441.089   29.985  449.825   37.221   424.938   50.610   35.013  1.4503 33.950  2.0434 1.063663       2.505774  
1 1 1 13 4  3  o 119.848 4.7279 5333.01   415.318 5333.01   415.318  0.0000    0.0000   119.848 4.7279 ?       ?      0.000000       4.727895  
1 1 1 13 4  4  o 70.643  2.7915 1837.48   144.540 1837.48   144.540  0.0000    0.0000   70.643  2.7915 ?       ?      0.000000       2.791527  
1 1 1 13 4  5  o 46.742  1.8823 802.435   64.487  802.435   64.487   0.0000    0.0000   46.742  1.8823 ?       ?      0.000000       1.882276  
1 1 1 13 4  6  o 25.254  0.8056 233.826   14.911  251.157   31.133   228.667   16.986   26.106  1.6353 24.972  0.9280 1.133310       1.880278  
1 1 1 13 4  7  f 47.105  1.0143 813.734   35.019  794.849   45.431   841.381   54.968   46.544  1.3317 47.877  1.5664 -1.332367      2.055996  
1 1 1 13 4  8  o 37.356  0.7802 511.634   21.362  537.966   31.557   489.363   29.022   38.297  1.1242 36.527  1.0840 1.769772       1.561730  
1 1 1 13 4  9  o 35.621  0.7521 465.213   19.637  443.336   26.637   491.253   29.062   34.766  1.0453 36.596  1.0834 -1.829517      1.505505  
1 1 1 13 4  10 o 56.504  1.1351 1171.36   47.012  1193.84   67.415   1150.08   65.592   57.012  1.6133 55.958  1.5992 1.053486       2.271589  
1 1 1 13 4  11 o 43.184  0.8850 683.938   28.011  680.788   39.347   687.175   39.886   43.068  1.2464 43.269  1.2576 -0.2010002     1.770663  
1 1 1 13 4  12 o 59.764  1.2048 1311.01   52.778  1198.69   68.718   1472.56   82.413   57.109  1.6417 63.283  1.7768 -6.173397      2.419070  
1 1 1 13 4  13 o 19.065  0.5157 133.253   7.2071  142.359   10.617   125.470   9.8149   19.703  0.7352 18.497  0.7239 1.205410       1.031788  
1 1 1 13 4  14 o 29.586  0.6606 321.006   14.325  325.722   20.703   316.673   19.843   29.793  0.9481 29.377  0.9216 0.4157009      1.322155  
1 1 1 13 4  15 f 27.603  0.6300 279.427   12.745  266.856   17.475   293.711   18.629   26.966  0.8842 28.289  0.8984 -1.323666      1.260512  
1 1 1 13 4  16 o 50.536  1.1032 938.396   40.864  1044.81   59.776   845.031   55.991   53.260  1.5313 47.888  1.5952 5.372063       2.211191  
1 1 1 13 4  17 o 13.808  0.9036 70.307    9.0948  64.913    10.572   85.669    17.841   13.245  1.0989 15.155  1.6319 -1.910426      1.967369  
1 1 1 13 4  18 o 35.969  0.9882 475.453   26.052  482.645   33.913   465.098   40.692   36.207  1.2779 35.502  1.5638 0.7047157      2.019507  
1 1 1 13 4  19 o 32.248  0.7666 381.781   18.119  406.060   28.706   365.703   23.360   33.217  1.1790 31.541  1.0105 1.676397       1.552790  
1 1 1 13 4  20 o 20.935  0.5649 160.778   8.6677  151.864   11.843   171.059   12.719   20.336  0.7946 21.582  0.8041 -1.246403      1.130434  
1 1 1 13 4  21 o 29.371  0.7257 316.733   15.623  303.018   19.878   338.896   25.269   28.710  0.9446 30.341  1.1363 -1.631149      1.477631  
1 1 1 13 4  22 o 20.145  0.5602 148.900   8.2721  138.384   11.196   161.540   12.275   19.409  0.7870 20.969  0.7987 -1.560310      1.121288  
1 1 1 13 4  23 o 38.593  0.8278 547.518   23.416  595.441   35.492   510.581   31.159   40.177  1.2052 37.216  1.1423 2.960632       1.660525  
1 1 1 13 4  24 o 15.113  0.7771 84.196    8.5788  80.051    13.951   86.717    10.879   14.653  1.3129 15.312  0.9744 -0.6587572     1.634919  
1 1 1 13 4  25 f 13.975  0.6823 71.777    6.9888  71.922    9.9949   71.638    9.7760   13.933  0.9851 13.908  0.9649 0.2461910E-01  1.378929  
1 1 1 13 4  26 o 26.767  0.6519 263.273   12.790  251.760   20.523   270.584   16.354   26.116  1.0721 27.115  0.8229 -0.9986877     1.351515  
1 1 1 13 5  0  o 11.679  1.0310 51.163    8.6675  51.163    8.6675   0.0000    0.0000   11.679  1.0310 11.679  1.0310 0.000000       0.000000  
1 1 1 13 5  1  o 78.447  2.1811 2261.80   125.410 2163.67   169.732  2379.78   186.111  76.625  3.0221 80.340  3.1605 -3.715004      4.372870  
1 1 1 13 5  2  o 50.482  2.0191 936.274   74.708  936.274   74.708   0.0000    0.0000   50.482  2.0191 ?       ?      0.000000       2.019067  
1 1 1 13 5  3  o 17.083  0.8086 106.995   10.125  106.995   10.125   0.0000    0.0000   17.083  0.8086 ?       ?      0.000000       0.8086116 
1 1 1 13 5  4  o 83.962  3.3736 2601.97   207.613 2601.97   207.613  0.0000    0.0000   83.962  3.3736 ?       ?      0.000000       3.373600  
1 1 1 13 5  5  o 21.194  0.6680 164.670   10.377  163.346   16.066   165.618   13.592   21.105  1.0386 21.253  0.8725 -0.1484566     1.356447  
1 1 1 13 5  6  o 40.276  0.9618 594.849   28.392  654.833   44.051   552.226   37.133   42.242  1.4227 38.796  1.3059 3.446358       1.931181  
1 1 1 13 5  7  o 89.507  1.9008 2943.53   124.700 3042.40   170.160  2828.85   183.273  90.906  2.5538 87.607  2.8541 3.298134       3.829890  
1 1 1 13 5  8  o 76.720  1.5177 2160.85   85.344  2103.22   118.113  2223.82   123.452  75.626  2.1308 77.760  2.1660 -2.133636      3.038423  
1 1 1 13 5  9  f 75.561  1.4925 2096.25   82.657  2100.16   117.383  2092.41   116.413  75.560  2.1195 75.423  2.1058 0.1376114      2.987760  
1 1 1 13 5  10 o 68.137  1.3492 1704.34   67.382  1683.53   94.277   1726.08   96.343   67.663  1.9010 68.511  1.9186 -0.8476181     2.700853  
1 1 1 13 5  11 o 14.121  0.5172 73.099    5.3530  83.735    7.8492   63.852    7.3192   15.112  0.7086 13.174  0.7613 1.938071       1.040046  
1 1 1 13 5  12 o 26.729  0.7816 262.011   15.312  279.253   20.949   242.236   22.435   27.587  1.0360 25.688  1.1915 1.898533       1.578972  
1 1 1 13 5  13 o 26.935  0.7173 266.071   14.161  267.012   20.155   265.154   19.901   26.973  1.0195 26.879  1.0101 0.9365845E-01  1.435131  
1 1 1 13 5  14 o 26.766  0.6177 262.710   12.119  275.712   17.745   251.343   16.591   27.411  0.8832 26.172  0.8649 1.238758       1.236150  
1 1 1 13 5  15 o 37.874  0.8002 526.342   22.215  534.027   31.717   518.942   31.124   38.125  1.1350 37.583  1.1299 0.5419044      1.601509  
1 1 1 13 5  16 o 48.708  1.1511 872.130   41.095  922.107   74.815   850.536   49.178   49.921  2.0447 48.067  1.3959 1.853981       2.475706  
1 1 1 13 5  17 f 43.021  1.0379 680.149   32.726  720.695   48.152   645.344   44.614   44.220  1.4856 41.850  1.4544 2.370598       2.079058  
1 1 1 13 5  18 o 55.407  1.3061 1130.75   53.043  1134.27   65.369   1123.96   90.759   55.422  1.6092 54.970  2.2526 0.4519463      2.768336  
1 1 1 13 5  19 o 58.481  1.1830 1258.82   50.709  1353.19   76.508   1184.89   67.720   60.486  1.7257 56.627  1.6316 3.858791       2.374921  
1 1 1 13 5  20 o 32.251  0.7118 381.838   16.827  413.582   25.355   356.849   22.496   33.534  1.0316 31.154  0.9852 2.379940       1.426410  
1 1 1 13 5  21 f 43.818  0.9120 705.739   29.291  721.437   42.376   691.376   40.534   44.233  1.3070 43.307  1.2770 0.9253578      1.827284  
1 1 1 13 5  22 f 15.734  0.5475 90.830    6.3140  90.218    8.8804   91.456    8.9790   15.671  0.7731 15.778  0.7764 -0.1069670     1.095701  
1 1 1 13 5  23 o 23.346  0.5994 200.093   10.256  209.881   14.882   191.238   14.155   23.889  0.8499 22.804  0.8469 1.085361       1.199827  
1 1 1 13 5  24 o 33.909  0.8649 423.197   21.495  407.764   28.908   442.281   32.147   33.222  1.1872 34.580  1.2683 -1.357887      1.737254  
1 1 1 13 5  25 o 14.623  0.6624 78.589    7.0994  74.975    9.7572   82.654    10.349   14.232  0.9407 14.945  0.9497 -0.7127695     1.336723  
1 1 1 13 6  0  o 10.560  1.1291 42.264    8.4872  42.264    8.4872   0.0000    0.0000   10.560  1.1291 10.560  1.1291 0.000000       0.000000  
1 1 1 13 6  1  o 67.094  2.1646 1654.70   106.451 1592.63   125.441  1814.40   201.226  65.780  2.6017 69.908  3.9432 -4.127754      4.724210  
1 1 1 13 6  2  o 30.123  1.2898 332.893   28.478  332.893   28.478   0.0000    0.0000   30.123  1.2898 ?       ?      0.000000       1.289847  
1 1 1 13 6  3  o 17.020  0.7088 106.191   8.8415  106.191   8.8415   0.0000    0.0000   17.020  0.7088 ?       ?      0.000000       0.7087546 
1 1 1 13 6  4  o 36.956  1.5242 501.294   41.288  501.294   41.288   0.0000    0.0000   36.956  1.5242 ?       ?      0.000000       1.524249  
1 1 1 13 6  5  o 30.549  0.8378 342.183   18.760  358.716   25.429   322.439   27.789   31.273  1.1094 29.645  1.2789 1.627556       1.692999  
1 1 1 13 6  6  o 52.568  1.2166 1013.80   46.875  963.519   63.320   1074.77   69.723   51.222  1.6866 54.094  1.7585 -2.871433      2.436575  
1 1 1 13 6  7  o 47.168  1.3600 816.495   47.016  958.842   76.886   731.474   59.421   51.068  2.0541 44.619  1.8169 6.448177       2.742354  
1 1 1 13 6  8  o 83.345  1.9040 2553.40   116.314 2639.00   170.491  2478.87   159.087  84.592  2.7497 82.004  2.6468 2.587738       3.816614  
1 1 1 13 6  9  o 63.081  1.2561 1460.42   58.077  1512.75   84.996   1414.60   79.541   64.151  1.8077 62.041  1.7492 2.110004       2.515401  
1 1 1 13 6  10 o 22.844  0.5593 191.306   9.3650  175.575   12.514   211.329   14.118   21.881  0.7803 24.006  0.8024 -2.124388      1.119248  
1 1 1 13 6  11 o 13.772  0.5112 69.532    5.1600  65.333    7.1966   73.975    7.4026   13.327  0.7396 14.185  0.7143 -0.8582582     1.028206  
1 1 1 13 6  12 o 42.083  0.8677 649.674   26.763  685.455   39.584   619.544   36.324   43.204  1.2500 41.077  1.2065 2.126835       1.737253  
1 1 1 13 6  13 o 25.242  0.5962 233.636   11.031  246.940   16.206   222.149   15.059   25.944  0.8522 24.607  0.8349 1.336130       1.193056  
1 1 1 13 6  14 o 77.599  1.5432 2216.35   87.772  2204.96   123.236  2228.08   125.040  77.234  2.1769 77.632  2.1975 -0.3974762     3.093231  
1 1 1 13 6  15 o 35.187  0.7582 454.302   19.553  465.873   28.163   443.534   27.169   35.609  1.0790 34.746  1.0668 0.8632660      1.517358  
1 1 1 13 6  16 o 49.044  1.4102 885.821   50.693  881.920   99.700   887.181   58.871   48.507  2.8164 49.040  1.6378 -0.5333023     3.257973  
1 1 1 13 6  17 o 4.6542  1.1286 8.2862    3.8105  8.4499    5.5729   8.1425    5.2220   4.7813  1.4579 4.6816  1.4076 0.9965754E-01  2.026533  
1 1 1 13 6  18 o 14.545  0.6199 77.626    6.6086  83.119    8.4285   68.859    10.648   15.027  0.7678 13.642  1.0736 1.385385       1.319878  
1 1 1 13 6  19 o 20.580  0.5848 155.395   8.8214  143.652   11.438   172.634   13.859   19.778  0.7890 21.677  0.8723 -1.898623      1.176148  
1 1 1 13 6  20 f 24.254  0.6003 215.856   10.672  211.246   14.998   220.584   15.190   23.978  0.8534 24.503  0.8458 -0.5247593     1.201492  
1 1 1 13 6  21 o 26.213  0.6285 252.203   12.075  239.875   16.617   265.998   17.577   25.546  0.8874 26.901  0.8915 -1.354704      1.257877  
1 1 1 13 6  22 o 18.032  0.5597 119.318   7.3974  117.742   10.302   120.995   10.629   17.900  0.7852 18.145  0.7992 -0.2447395     1.120360  
1 1 1 13 6  23 o 6.3553  0.9935 15.230    4.4764  12.529    6.8594   17.234    5.9079   5.7227  1.5823 6.7255  1.2443 -1.002808      2.012964  
1 1 1 13 6  24 o 18.030  0.5924 119.396   7.8295  131.189   12.722   112.207   9.9334   18.872  0.9198 17.466  0.7759 1.405666       1.203348  
1 1 1 13 6  25 o 21.770  0.6267 174.136   10.000  159.543   14.607   187.008   13.719   20.802  0.9580 22.538  0.8305 -1.736284      1.267895  
1 1 1 13 7  0  o 60.226  2.4155 1338.34   106.240 1338.34   106.240  0.0000    0.0000   60.226  2.4155 60.226  2.4155 0.000000       0.000000  
1 1 1 13 7  1  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 13 7  2  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 13 7  3  o 71.783  2.3448 1895.68   123.368 1895.68   123.368  0.0000    0.0000   71.783  2.3448 ?       ?      0.000000       2.344790  
1 1 1 13 7  4  o 115.901 3.7669 4973.75   319.998 5030.09   398.057  4870.83   538.024  116.236 4.6722 113.387 6.5009 2.849403       8.005732  
1 1 1 13 7  5  o 95.218  2.3760 3336.94   165.822 3440.12   220.520  3202.68   251.545  96.530  3.1168 93.003  3.6901 3.527756       4.830231  
1 1 1 13 7  6  o 50.392  1.1762 931.669   43.445  897.760   59.135   971.437   64.040   49.441  1.6318 51.425  1.6990 -1.984131      2.355716  
1 1 1 13 7  7  o 96.023  2.0281 3391.05   142.742 3528.66   195.921  3235.36   208.392  97.811  2.7328 93.587  3.0380 4.223701       4.086292  
1 1 1 13 7  8  o 95.580  1.8805 3359.21   131.744 3455.59   191.206  3272.10   181.780  96.771  2.6957 94.181  2.6333 2.589592       3.768447  
1 1 1 13 7  9  o 28.728  0.6787 302.606   14.291  292.198   21.395   310.990   19.203   28.221  1.0343 29.118  0.8998 -0.8971920     1.370921  
1 1 1 13 7  10 o 86.209  1.7006 2732.51   107.458 2699.43   150.327  2767.07   153.665  85.549  2.3974 86.609  2.4206 -1.059883      3.406909  
1 1 1 13 7  11 o 42.953  0.8794 676.801   27.686  669.619   38.807   684.246   39.510   42.704  1.2398 43.167  1.2487 -0.4632683     1.759692  
1 1 1 13 7  12 o 28.907  0.6399 306.415   13.557  301.566   18.995   311.449   19.355   28.668  0.9040 29.134  0.9064 -0.4658680     1.280120  
1 1 1 13 7  13 o 47.609  0.9674 832.039   33.758  845.247   48.495   819.621   47.021   47.945  1.3800 47.215  1.3587 0.7300034      1.936615  
1 1 1 13 7  14 o 15.596  0.5187 89.187    5.9289  86.517    8.3191   91.943    8.4520   15.356  0.7391 15.831  0.7284 -0.4744616     1.037735  
1 1 1 13 7  15 o 26.664  0.6192 260.800   12.101  254.290   16.858   267.719   17.380   26.317  0.8740 27.003  0.8781 -0.6857605     1.238907  
1 1 1 13 7  16 o 37.868  1.1305 527.322   31.377  491.906   57.358   542.445   37.482   36.349  2.1627 38.382  1.3323 -2.033157      2.540136  
1 1 1 13 7  17 o 11.112  0.5637 45.415    4.5766  45.760    6.6038   45.096    6.3483   11.133  0.8149 11.054  0.7887 0.7886505E-01  1.134078  
1 1 1 13 7  18 o 10.825  0.6783 43.177    5.3547  43.056    6.6011   43.411    9.1565   10.794  0.8410 10.796  1.1761 -0.2156258E-02 1.445853  
1 1 1 13 7  19 o 19.370  0.6270 137.691   8.9020  156.098   14.168   125.685   11.443   20.607  0.9380 18.496  0.8440 2.110758       1.261869  
1 1 1 13 7  20 o 12.334  0.5503 55.811    4.9752  57.621    7.1569   54.119    6.9209   12.500  0.7851 12.113  0.7837 0.3871069      1.109333  
1 1 1 13 7  21 o 24.168  0.6024 214.374   10.670  210.861   15.026   217.948   15.154   23.951  0.8559 24.351  0.8491 -0.3997021     1.205646  
1 1 1 13 7  22 o 5.8082  0.9594 12.742    3.9417  11.349    5.6203   14.091    5.5297   5.4380  1.4013 6.0643  1.2840 -0.6262212     1.900648  
1 1 1 13 7  23 o 33.429  1.0444 412.099   25.591  406.748   48.281   414.190   30.179   32.877  2.0133 33.473  1.2301 -0.5960312     2.359293  
1 1 1 13 7  24 o 2.9317  1.2095 0.9256    4.2097  1.7978    6.3260   0.2323    5.6397   3.6454  1.4908 3.2386  1.3722 0.4068604      2.026189  
1 1 1 13 7  25 o 10.820  0.7180 43.239    5.6619  42.986    9.5224   43.378    7.0419   10.707  1.2361 10.814  0.8965 -0.1070509     1.526993  
1 1 1 13 8  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 13 8  1  o 19.240  1.0146 136.141   14.257  136.141   14.257   0.0000    0.0000   19.240  1.0146 ?       ?      0.000000       1.014576  
1 1 1 13 8  2  o 78.672  2.5319 2279.56   146.001 2279.56   146.001  0.0000    0.0000   78.672  2.5319 ?       ?      0.000000       2.531933  
1 1 1 13 8  3  o 68.251  2.2206 1713.81   111.085 1713.81   111.085  0.0000    0.0000   68.251  2.2206 ?       ?      0.000000       2.220585  
1 1 1 13 8  4  o 71.671  2.8865 1895.42   151.632 2392.09   264.259  1651.62   185.144  79.997  4.5254 66.630  3.8068 13.36684       5.913650  
1 1 1 13 8  5  o 98.300  3.9078 3588.01   281.559 4012.54   442.531  3299.27   364.956  102.951 5.8890 93.593  5.3422 9.358292       7.951056  
1 1 1 13 8  6  o 35.915  1.0607 473.207   27.921  457.817   38.790   489.755   40.222   35.308  1.4989 36.518  1.5027 -1.210609      2.122450  
1 1 1 13 8  7  o 77.798  1.6406 2224.12   93.553  2141.06   119.160  2357.59   151.046  76.261  2.1318 79.940  2.5779 -3.679527      3.345160  
1 1 1 13 8  8  o 45.156  0.9179 747.960   30.382  757.084   43.383   739.177   42.563   45.410  1.3034 44.870  1.2942 0.5396500      1.836769  
1 1 1 13 8  9  f 93.343  1.8356 3205.52   125.583 3108.20   172.164  3316.18   183.589  91.747  2.5602 94.743  2.6437 -2.996361      3.680201  
1 1 1 13 8  10 o 39.979  0.8827 586.333   25.864  583.498   34.308   590.065   39.366   39.867  1.1741 40.079  1.3400 -0.2129517     1.781652  
1 1 1 13 8  11 o 47.000  0.9557 810.648   32.924  773.783   44.564   854.953   48.855   45.890  1.3249 48.231  1.3820 -2.341354      1.914490  
1 1 1 13 8  12 o 39.234  0.8180 564.790   23.525  529.725   31.593   608.426   35.243   37.977  1.1350 40.696  1.1815 -2.719654      1.638351  
1 1 1 13 8  13 o 41.672  0.8604 637.381   26.281  613.902   36.108   663.832   38.325   40.868  1.2054 42.495  1.2305 -1.626858      1.722521  
1 1 1 13 8  14 o 30.751  0.6775 346.925   15.271  316.336   20.086   388.821   23.507   29.349  0.9337 32.535  0.9858 -3.185448      1.357772  
1 1 1 13 8  15 f 62.297  1.3345 1428.90   60.937  1347.14   88.154   1503.71   84.329   60.317  1.9940 63.785  1.8038 -3.468361      2.688778  
1 1 1 13 8  16 o 12.704  0.6164 59.213    5.7395  49.297    7.5069   73.167    8.9047   11.550  0.8937 14.087  0.8666 -2.537454      1.244878  
1 1 1 13 8  17 o 19.177  0.5370 134.896   7.5475  135.301   10.812   134.511   10.541   19.196  0.7684 19.141  0.7514 0.5529594E-01  1.074717  
1 1 1 13 8  18 o 52.816  1.1484 1026.96   44.456  1019.97   58.586   1036.45   68.259   52.546  1.5211 52.898  1.7605 -0.3518867     2.326625  
1 1 1 13 8  19 o 10.600  0.6973 41.432    5.3872  40.830    8.4869   41.838    6.9718   10.472  1.1233 10.631  0.9033 -0.1590471     1.441440  
1 1 1 13 8  20 o 29.326  0.6663 315.723   14.321  335.584   21.271   299.253   19.369   30.206  0.9607 28.528  0.9263 1.678276       1.334585  
1 1 1 13 8  21 o 12.179  0.5748 54.442    5.1310  47.026    7.0940   62.578    7.4305   11.276  0.8649 13.026  0.7819 -1.750082      1.165921  
1 1 1 13 8  22 o 26.332  0.6362 254.663   12.280  227.232   16.158   292.164   18.893   24.848  0.8872 28.172  0.9150 -3.323650      1.274458  
1 1 1 13 8  23 f 18.073  0.7814 120.162   10.351  109.117   17.085   126.568   13.011   17.101  1.3746 18.506  0.9625 -1.404455      1.678119  
1 1 1 13 8  24 o 27.894  0.6598 286.018   13.490  293.757   19.557   278.995   18.632   28.225  0.9454 27.510  0.9240 0.7145634      1.321952  
1 1 1 13 9  0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 13 9  1  o 73.344  4.1603 2007.69   222.729 2007.69   222.729  0.0000    0.0000   73.344  4.1603 ?       ?      0.000000       4.160257  
1 1 1 13 9  2  o 47.554  1.5680 830.577   54.652  830.577   54.652   0.0000    0.0000   47.554  1.5680 ?       ?      0.000000       1.567970  
1 1 1 13 9  3  o 14.846  0.9472 81.173    10.254  81.173    10.254   0.0000    0.0000   14.846  0.9472 ?       ?      0.000000       0.9472286 
1 1 1 13 9  4  o 85.696  2.4010 2706.34   150.810 2917.34   186.381  2306.24   256.653  88.871  2.8613 78.451  4.4820 10.42011       5.317456  
1 1 1 13 9  5  o 22.814  0.6828 190.829   11.418  188.779   14.908   193.738   17.760   22.687  0.8965 22.979  1.0544 -0.2924194     1.384035  
1 1 1 13 9  6  o 23.817  0.6457 207.985   11.272  201.334   15.856   214.780   16.028   23.428  0.9234 24.198  0.9037 -0.7701015     1.292006  
1 1 1 13 9  7  o 19.001  0.5410 132.353   7.5345  129.286   10.095   136.211   11.321   18.777  0.7335 19.272  0.8014 -0.4951897     1.086447  
1 1 1 13 9  8  o 58.511  1.1690 1256.75   50.136  1240.29   70.256   1273.84   71.568   58.078  1.6504 58.857  1.6590 -0.7791824     2.340092  
1 1 1 13 9  9  o 68.318  1.3586 1714.81   68.031  1680.20   94.597   1751.87   97.909   67.543  1.9108 68.964  1.9370 -1.420807      2.720844  
1 1 1 13 9  10 o 41.217  0.9105 623.405   27.508  599.088   40.628   643.990   37.380   40.372  1.3730 41.871  1.2180 -1.498672      1.835346  
1 1 1 13 9  11 o 50.342  1.1782 931.057   43.474  867.540   70.552   969.935   55.198   48.485  1.9853 51.348  1.4666 -2.862507      2.468266  
1 1 1 13 9  12 o 58.014  1.3467 1238.01   57.266  1187.92   95.954   1265.72   71.370   56.624  2.3120 58.603  1.6616 -1.978451      2.847090  
1 1 1 13 9  13 o 63.910  1.6183 1506.22   75.807  1499.68   119.402  1510.63   98.118   63.474  2.5665 63.869  2.0959 -0.3958168     3.313565  
1 1 1 13 9  14 o 39.020  0.9479 559.336   27.112  590.887   39.963   532.432   36.903   40.055  1.3612 38.027  1.3240 2.027767       1.898912  
1 1 1 13 9  15 o 37.810  0.9302 525.273   25.778  475.509   40.817   558.293   33.249   35.893  1.5515 38.952  1.1646 -3.059433      1.939927  
1 1 1 13 9  16 o 32.339  0.7097 383.909   16.823  421.873   25.780   355.751   22.202   33.869  1.0385 31.108  0.9738 2.760572       1.423607  
1 1 1 13 9  17 o 15.501  0.5221 88.143    5.9314  92.373    8.7104   84.485    8.0995   15.861  0.7493 15.169  0.7285 0.6915588      1.045016  
1 1 1 13 9  18 o 19.270  0.5844 136.254   8.2544  134.595   11.001   138.391   12.486   19.142  0.7841 19.405  0.8779 -0.2624893     1.177076  
1 1 1 13 9  19 o 18.812  0.6404 129.898   8.8293  119.037   12.642   140.240   12.336   17.964  0.9637 19.533  0.8616 -1.569178      1.292702  
1 1 1 13 9  20 o 48.628  0.9991 870.369   35.609  892.093   51.489   850.453   49.299   49.119  1.4301 47.968  1.4022 1.151867       2.002859  
1 1 1 13 9  21 o 38.868  0.8270 555.534   23.561  560.333   33.561   550.870   33.084   38.969  1.1750 38.640  1.1682 0.3289604      1.656875  
1 1 1 13 9  22 o 14.408  0.5540 76.222    5.8509  68.514    8.0545   84.833    8.5134   13.622  0.8103 15.168  0.7682 -1.546038      1.116631  
1 1 1 13 9  23 o 19.385  0.6612 138.129   9.3950  148.415   13.238   127.692   13.335   20.069  0.9000 18.580  0.9827 1.488884       1.332534  
1 1 1 13 9  24 o 19.250  0.6122 136.162   8.6372  139.261   13.643   134.089   11.158   19.430  0.9580 19.085  0.7977 0.3452339      1.246578  
1 1 1 13 10 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 13 10 1  o 12.860  1.3063 61.344    12.142  61.344    12.142   0.0000    0.0000   12.860  1.3063 ?       ?      0.000000       1.306264  
1 1 1 13 10 2  o 34.581  1.4557 439.250   36.896  439.250   36.896   0.0000    0.0000   34.581  1.4557 ?       ?      0.000000       1.455685  
1 1 1 13 10 3  o 36.365  1.0751 485.255   28.657  483.169   39.857   487.486   41.232   36.265  1.4994 36.424  1.5444 -0.1589165     2.152570  
1 1 1 13 10 4  o 69.272  1.9359 1766.06   98.294  1798.69   115.550  1680.65   186.970  69.856  2.2568 67.063  3.8195 2.792534       4.436410  
1 1 1 13 10 5  o 65.961  1.6567 1599.75   80.098  1671.29   108.011  1512.33   119.395  67.338  2.1884 63.992  2.5455 3.346336       3.356900  
1 1 1 13 10 6  o 41.487  0.9850 631.528   29.953  582.594   39.624   696.774   45.753   39.825  1.3574 43.548  1.4334 -3.722363      1.974162  
1 1 1 13 10 7  o 75.197  1.6028 2079.49   88.344  2333.35   129.589  1859.07   120.753  79.529  2.2231 70.966  2.3215 8.562386       3.214265  
1 1 1 13 10 8  o 56.481  1.1314 1171.32   46.837  1270.56   71.502   1096.73   61.987   58.761  1.6602 54.608  1.5487 4.153011       2.270379  
1 1 1 13 10 9  o 89.737  1.7689 2966.65   116.350 3122.80   172.897  2837.40   157.295  91.804  2.5695 87.551  2.4512 4.252464       3.551111  
1 1 1 13 10 10 o 51.947  1.0447 990.989   39.776  964.692   54.959   1019.91   57.639   51.203  1.4644 52.644  1.4938 -1.440792      2.091878  
1 1 1 13 10 11 o 14.179  0.5191 73.718    5.3949  69.391    7.6676   77.960    7.5922   13.730  0.7649 14.577  0.7106 -0.8469553     1.044050  
1 1 1 13 10 12 o 53.889  1.0869 1067.38   42.932  1179.72   66.581   987.421   56.168   56.557  1.6061 51.768  1.4803 4.789944       2.184239  
1 1 1 13 10 13 f 47.740  0.9713 837.422   33.988  874.133   50.141   806.214   46.231   48.706  1.4045 46.786  1.3481 1.920483       1.946837  
1 1 1 13 10 14 o 21.647  0.5549 171.888   8.8037  176.880   12.794   167.398   12.133   21.948  0.7953 21.353  0.7752 0.5953312      1.110605  
1 1 1 13 10 15 o 15.698  0.7163 90.471    8.2424  97.131    14.937   87.556    9.8833   16.187  1.2692 15.412  0.8786 0.7753563      1.543582  
1 1 1 13 10 16 o 48.729  0.9975 873.263   35.627  851.029   49.331   897.500   51.506   48.022  1.4015 49.310  1.4251 -1.287964      1.998773  
1 1 1 13 10 17 o 27.611  0.6401 279.832   12.953  277.679   18.425   281.935   18.215   27.483  0.9147 27.695  0.8973 -0.2114735     1.281321  
1 1 1 13 10 18 o 24.225  0.6039 215.378   10.723  190.753   14.053   249.695   16.589   22.782  0.8416 26.063  0.8684 -3.280813      1.209288  
1 1 1 13 10 19 o 23.323  0.7614 199.846   13.017  192.078   16.873   211.267   20.457   22.844  1.0077 23.940  1.1659 -1.096283      1.541015  
1 1 1 13 10 20 o 19.215  0.5698 135.520   8.0250  145.013   11.972   127.774   10.814   19.859  0.8225 18.644  0.7914 1.215433       1.141379  
1 1 1 13 10 21 o 19.823  0.6433 144.351   9.3468  182.710   18.239   130.689   10.885   22.219  1.1236 18.850  0.7878 3.368923       1.372252  
1 1 1 13 10 22 o 16.449  0.6444 99.432    7.7697  96.325    13.565   100.949   9.4785   16.100  1.1572 16.563  0.7808 -0.4633141     1.395997  
1 1 1 13 10 23 o 52.040  1.3644 1006.19   52.043  985.735   80.943   1020.61   67.950   50.984  2.1660 52.165  1.7772 -1.181232      2.801776  
1 1 1 13 11 0  o 4.4359  2.1621 10.634    8.2777  0.0000    0.0000   10.634    8.2777   4.4359  2.1621 4.4359  2.1621 0.000000       0.000000  
1 1 1 13 11 1  o 29.444  1.2758 318.363   27.534  318.363   27.534   0.0000    0.0000   29.444  1.2758 ?       ?      0.000000       1.275830  
1 1 1 13 11 2  o 83.451  3.3169 2587.74   202.882 2587.74   202.882  0.0000    0.0000   83.451  3.3169 ?       ?      0.000000       3.316913  
1 1 1 13 11 3  o 60.123  1.7021 1329.72   75.007  1383.24   90.035   1208.33   135.601  61.276  2.0047 56.939  3.2628 4.337715       3.829401  
1 1 1 13 11 4  o 33.310  0.8872 407.053   21.660  397.322   27.565   422.758   35.020   32.897  1.1432 33.919  1.4086 -1.021152      1.814155  
1 1 1 13 11 5  o 89.771  2.0385 2970.89   134.130 2942.56   188.119  3000.19   191.298  89.081  2.8811 89.942  2.9018 -0.8604202     4.089190  
1 1 1 13 11 6  o 38.443  0.9184 542.301   25.877  531.167   36.185   553.955   37.020   38.021  1.2984 38.828  1.3008 -0.8068733     1.837923  
1 1 1 13 11 7  o 27.203  0.6571 271.392   13.102  257.216   16.957   292.391   20.638   26.476  0.8738 28.222  0.9977 -1.746811      1.326271  
1 1 1 13 11 8  o 12.919  0.5104 61.194    4.8329  57.758    6.7666   64.771    6.9050   12.526  0.7403 13.269  0.7126 -0.7432032     1.027543  
1 1 1 13 11 9  o 56.275  1.1263 1163.63   46.458  1158.80   65.674   1168.46   65.731   56.084  1.5976 56.318  1.5924 -0.2343674     2.255664  
1 1 1 13 11 10 o 18.239  0.5111 121.993   6.8323  114.389   9.4855   130.191   9.8493   17.656  0.7330 18.837  0.7134 -1.180712      1.022809  
1 1 1 13 11 11 o 37.080  0.7793 504.685   21.180  525.628   31.025   486.406   28.985   37.810  1.1195 36.375  1.0872 1.434624       1.560512  
1 1 1 13 11 12 o 85.441  1.7089 2697.85   107.020 2512.89   141.945  2941.50   162.912  82.151  2.3574 88.792  2.5032 -6.641319      3.438483  
1 1 1 13 11 13 o 22.426  0.5549 184.492   9.1214  191.639   13.446   178.399   12.415   22.844  0.8030 22.043  0.7684 0.8013687      1.111443  
1 1 1 13 11 14 o 20.374  0.5410 152.279   8.0782  143.638   11.199   161.654   11.664   19.777  0.7726 20.981  0.7585 -1.204466      1.082641  
1 1 1 13 11 15 f 29.338  0.8264 316.219   17.770  322.754   27.838   311.724   23.086   29.587  1.2837 29.103  1.0823 0.4847679      1.678998  
1 1 1 13 11 16 o 10.127  0.5788 37.758    4.2788  36.616    6.1461   38.833    5.9604   9.9455  0.8513 10.250  0.7997 -0.3046780     1.168012  
1 1 1 13 11 17 o 22.487  0.5672 185.560   9.3480  197.379   13.977   175.994   12.574   23.175  0.8228 21.886  0.7838 1.288603       1.136418  
1 1 1 13 11 18 o 40.111  0.8426 591.431   24.773  571.981   34.119   613.118   36.027   39.387  1.1819 40.774  1.2055 -1.386826      1.688205  
1 1 1 13 11 19 o 20.870  0.7423 160.044   11.355  159.990   15.111   160.114   17.209   20.845  0.9890 20.807  1.1327 0.3751755E-01  1.503717  
1 1 1 13 11 20 o 26.505  0.6338 258.046   12.312  249.901   17.220   266.564   17.610   26.053  0.9018 26.909  0.8929 -0.8557854     1.269039  
1 1 1 13 11 21 o 10.452  0.6001 40.265    4.5778  44.313    6.7212   36.761    6.2522   10.938  0.8449 9.9535  0.8656 0.9844961      1.209607  
1 1 1 13 11 22 o 31.188  0.9859 359.056   22.538  345.443   41.654   364.691   26.800   30.250  1.8881 31.388  1.1649 -1.138046      2.218564  
1 1 1 13 11 23 o 18.557  0.5588 126.506   7.6005  123.246   10.770   129.740   10.727   18.294  0.8033 18.772  0.7797 -0.4784374     1.119406  
1 1 1 13 12 0  o 74.641  4.2651 2089.74   231.597 0.0000    0.0000   2089.74   231.597  74.641  4.2651 74.641  4.2651 0.000000       0.000000  
1 1 1 13 12 1  o 58.545  1.9038 1263.14   81.696  1311.54   103.616  1183.63   132.818  59.564  2.3733 56.290  3.2327 3.274216       4.010412  
1 1 1 13 12 2  o 29.162  1.0478 312.197   22.396  310.629   27.033   315.628   39.988   29.077  1.2685 29.206  1.8779 -0.1296082     2.266176  
1 1 1 13 12 3  o 69.176  1.7316 1762.34   87.801  1777.42   114.414  1740.74   136.936  69.355  2.2507 68.504  2.7272 0.8508377      3.536013  
1 1 1 13 12 4  o 17.871  0.6128 117.120   8.0271  122.917   10.991   110.495   11.751   18.303  0.8193 17.326  0.9287 0.9770679      1.238420  
1 1 1 13 12 5  o 22.961  0.6278 193.355   10.565  179.313   14.549   209.020   15.367   22.104  0.8980 23.865  0.8785 -1.761574      1.256302  
1 1 1 13 12 6  o 26.733  0.6989 262.152   13.694  271.008   20.147   254.545   18.671   27.167  1.0118 26.331  0.9674 0.8358192      1.399871  
1 1 1 13 12 7  o 24.950  0.6149 228.311   11.244  243.912   15.907   212.730   15.896   25.779  0.8418 24.072  0.9009 1.706760       1.233043  
1 1 1 13 12 8  o 57.421  1.1483 1212.06   48.328  1295.90   72.703   1145.68   64.689   59.272  1.6735 55.750  1.5831 3.522415       2.303623  
1 1 1 13 12 9  o 37.254  0.7776 509.411   21.233  520.166   30.655   499.495   29.437   37.614  1.1119 36.862  1.0895 0.7526169      1.556724  
1 1 1 13 12 10 o 11.511  0.5232 48.594    4.4141  49.079    6.3143   48.131    6.1731   11.539  0.7507 11.427  0.7410 0.1116085      1.054807  
1 1 1 13 12 11 o 41.468  0.8603 631.599   26.148  611.420   35.979   654.188   38.067   40.756  1.2044 42.153  1.2321 -1.397049      1.722970  
1 1 1 13 12 12 o 24.537  0.5845 220.905   10.512  217.100   14.805   224.774   14.928   24.311  0.8309 24.738  0.8233 -0.4264450     1.169700  
1 1 1 13 12 13 o 51.449  1.0402 973.906   39.224  960.502   54.884   987.899   56.077   50.993  1.4684 51.713  1.4795 -0.7190895     2.084495  
1 1 1 13 12 14 o 13.141  0.5881 63.374    5.6644  68.768    10.403   61.101    6.7534   13.630  1.0494 12.879  0.7182 0.7503653      1.271623  
1 1 1 13 12 15 o 30.624  0.7323 344.430   16.437  352.224   22.299   335.156   24.324   30.941  0.9833 30.168  1.1000 0.7737026      1.475434  
1 1 1 13 12 16 o 17.458  0.5284 111.835   6.7621  109.686   9.7426   113.833   9.3930   17.278  0.7693 17.604  0.7280 -0.3259583     1.059115  
1 1 1 13 12 17 o 10.629  0.5785 41.586    4.4900  37.125    6.3253   46.118    6.3748   10.010  0.8708 11.175  0.7832 -1.164919      1.171174  
1 1 1 13 12 18 o 8.9894  0.6394 29.824    4.1855  32.623    6.2781   27.586    5.6155   9.3697  0.9263 8.6119  0.9031 0.7578154      1.293654  
1 1 1 13 12 19 o 6.0482  1.2549 14.019    5.3810  8.5886    7.8683   18.790    7.3755   5.0437  1.7463 6.9878  1.4858 -1.944140      2.292836  
1 1 1 13 12 20 o 32.335  0.7198 384.493   17.059  393.942   24.733   375.918   23.561   32.670  1.0329 31.920  1.0071 0.7505856      1.442556  
1 1 1 13 12 21 o 21.114  0.5707 163.781   8.8322  163.619   12.619   163.938   12.366   21.077  0.8168 21.100  0.7996 -0.2272606E-01 1.143070  
1 1 1 13 12 22 o 34.548  0.9519 440.597   24.104  459.521   38.704   428.607   30.808   35.092  1.5048 33.990  1.2366 1.102184       1.947709  
1 1 1 13 13 0  o 72.001  2.8754 1924.45   151.195 0.0000    0.0000   1924.45   151.195  72.001  2.8754 72.001  2.8754 0.000000       0.000000  
1 1 1 13 13 1  o 45.482  1.5067 761.552   50.229  726.949   58.944   853.300   95.981   44.392  1.8116 47.817  2.7501 -3.425194      3.293168  
1 1 1 13 13 2  o 58.435  1.4841 1257.04   63.563  1228.18   80.143   1305.98   104.362  57.679  1.8957 59.348  2.3992 -1.668957      3.057710  
1 1 1 13 13 3  o 27.437  0.7642 276.232   15.368  271.275   19.784   283.773   24.404   27.179  0.9932 27.784  1.1983 -0.6058750     1.556375  
1 1 1 13 13 4  f 13.563  0.5961 67.470    5.9262  66.628    8.1487   68.417    8.6340   13.448  0.8308 13.624  0.8691 -0.1767311     1.202343  
1 1 1 13 13 5  o 68.128  1.5602 1710.67   77.906  1642.80   106.059  1790.20   114.812  66.585  2.1731 69.479  2.2545 -2.894073      3.131350  
1 1 1 13 13 6  o 13.605  0.5618 67.887    5.6026  85.306    9.3248   58.046    7.0087   15.220  0.8391 12.553  0.7654 2.667608       1.135758  
1 1 1 13 13 7  o 73.114  1.5579 1971.98   83.489  2102.89   117.253  1837.36   118.906  75.291  2.1247 70.301  2.3076 4.989929       3.136797  
1 1 1 13 13 8  o 44.763  0.9163 736.121   30.065  690.219   39.946   796.098   45.661   43.297  1.2587 46.485  1.3401 -3.188091      1.838558  
1 1 1 13 13 9  o 19.306  0.5122 136.710   7.2475  147.824   10.875   127.830   9.7208   20.067  0.7394 18.661  0.7107 1.405115       1.025558  
1 1 1 13 13 10 o 46.181  0.9387 783.876   31.775  826.179   47.174   748.744   42.990   47.335  1.3597 45.074  1.3012 2.261311       1.882006  
1 1 1 13 13 11 o 15.823  0.5004 91.843    5.8040  97.092    8.6156   87.483    7.8534   16.261  0.7229 15.437  0.6941 0.8244982      1.002150  
1 1 1 13 13 12 o 51.810  1.0514 987.966   39.926  919.672   52.808   1079.10   61.002   49.893  1.4441 54.015  1.5408 -4.121685      2.111735  
1 1 1 13 13 13 o 43.479  0.8966 695.055   28.572  685.617   39.937   704.950   40.894   43.114  1.2638 43.715  1.2763 -0.6008530     1.796127  
1 1 1 13 13 14 o 17.563  0.7083 113.286   9.1178  99.344    15.654   120.444   11.217   16.353  1.3172 18.101  0.8455 -1.748779      1.565183  
1 1 1 13 13 15 o 14.940  0.5428 81.903    5.9432  81.455    8.4119   82.349    8.3980   14.868  0.7746 14.951  0.7690 -0.8224201E-01 1.091441  
1 1 1 13 13 16 o 26.765  0.6234 263.015   12.229  268.160   17.765   258.382   16.861   26.999  0.8977 26.506  0.8679 0.4935436      1.248628  
1 1 1 13 13 17 o 12.048  0.5407 53.279    4.7748  57.038    7.0668   50.122    6.4770   12.432  0.7795 11.652  0.7626 0.7791805      1.090465  
1 1 1 13 13 18 o 15.670  0.5360 90.142    6.1564  93.625    8.9593   87.026    8.4738   15.957  0.7661 15.385  0.7515 0.5717039      1.073092  
1 1 1 13 13 19 o 18.113  0.7275 120.667   9.6583  123.491   12.890   117.051   14.585   18.273  0.9658 17.760  1.1262 0.5134392      1.483634  
1 1 1 13 13 20 o 24.270  0.6087 216.492   10.828  208.516   15.025   225.111   15.620   23.785  0.8619 24.713  0.8623 -0.9282761     1.219156  
1 1 1 13 13 21 o 23.473  0.6488 202.646   11.162  193.579   16.902   209.660   14.865   22.885  1.0076 23.846  0.8505 -0.9606647     1.318562  
1 1 1 13 14 0  o 25.586  1.1451 241.758   21.377  0.0000    0.0000   241.758   21.377   25.586  1.1451 25.586  1.1451 0.000000       0.000000  
1 1 1 13 14 1  o 22.048  0.6716 178.360   10.853  170.452   13.821   191.081   17.529   21.545  0.8753 22.801  1.0489 -1.256561      1.366091  
1 1 1 13 14 2  o 35.719  0.9388 468.673   24.577  485.836   32.943   447.131   36.908   36.336  1.2370 34.832  1.4456 1.503361       1.902611  
1 1 1 13 14 3  o 32.620  0.8717 390.772   20.843  404.616   27.962   373.464   31.266   33.167  1.1502 31.844  1.3396 1.323013       1.765630  
1 1 1 13 14 4  o 24.693  0.7191 223.800   13.015  217.126   16.778   233.883   20.623   24.310  0.9416 25.217  1.1158 -0.9076061     1.459989  
1 1 1 13 14 5  o 43.227  1.0240 686.971   32.444  665.883   45.192   709.397   46.605   42.491  1.4511 43.857  1.4498 -1.366615      2.051225  
1 1 1 13 14 6  o 41.344  0.9814 628.365   29.740  631.506   42.547   625.364   41.587   41.382  1.4027 41.185  1.3777 0.1971779      1.966111  
1 1 1 13 14 7  o 53.952  1.1568 1071.50   45.745  1096.17   61.983   1041.99   67.792   54.473  1.5524 53.055  1.7433 1.418129       2.334314  
1 1 1 13 14 8  o 46.820  0.9521 805.895   32.672  859.628   49.011   762.917   43.833   48.271  1.3852 45.490  1.3146 2.781391       1.909731  
1 1 1 13 14 9  o 25.432  0.5863 237.339   10.928  234.672   15.502   239.973   15.408   25.272  0.8369 25.557  0.8226 -0.2849426     1.173471  
1 1 1 13 14 10 o 13.592  0.4926 67.767    4.9069  66.218    6.9822   69.278    6.8975   13.409  0.7130 13.736  0.6851 -0.3267431     0.9887663 
1 1 1 13 14 11 o 25.177  0.5845 232.630   10.786  229.170   15.183   236.155   15.326   24.971  0.8296 25.349  0.8249 -0.3780956     1.169867  
1 1 1 13 14 12 o 23.639  0.5722 205.076   9.9145  251.767   16.348   177.914   12.469   26.170  0.8523 22.005  0.7731 4.164606       1.150694  
1 1 1 13 14 13 o 17.310  0.5184 109.941   6.5778  110.251   9.5013   109.657   9.1154   17.323  0.7483 17.278  0.7198 0.4506111E-01  1.038312  
1 1 1 13 14 14 o 46.069  1.1905 783.067   40.199  741.096   59.852   817.560   54.259   44.614  1.8303 46.955  1.5766 -2.340343      2.415676  
1 1 1 13 14 15 o 22.396  0.5669 184.117   9.3053  193.920   13.920   176.197   12.511   22.964  0.8270 21.894  0.7797 1.070387       1.136598  
1 1 1 13 14 16 o 26.164  0.6204 251.400   11.897  249.945   17.006   252.794   16.649   26.059  0.8903 26.210  0.8666 -0.1510983     1.242486  
1 1 1 13 14 17 o 26.484  0.6246 257.660   12.125  251.771   17.072   263.654   17.223   26.148  0.8908 26.760  0.8781 -0.6117191     1.250834  
1 1 1 13 14 18 o 21.488  0.5637 169.604   8.8790  169.892   12.672   169.327   12.445   21.481  0.8048 21.447  0.7917 0.3417778E-01  1.128926  
1 1 1 13 14 19 o 12.417  0.7885 57.016    7.1392  51.339    9.5074   64.355    10.810   11.725  1.1199 13.137  1.1338 -1.411533      1.593656  
1 1 1 13 14 20 o 18.641  0.5676 127.706   7.7546  122.628   10.894   132.922   11.041   18.239  0.8149 18.992  0.7931 -0.7530670     1.137144  
1 1 1 13 14 21 o 17.676  0.7771 115.110   10.068  114.564   17.314   115.390   12.375   17.489  1.3614 17.648  0.9603 -0.1587486     1.666045  
1 1 1 13 15 0  o 17.498  0.9357 113.328   11.922  0.0000    0.0000   113.328   11.922   17.498  0.9357 17.498  0.9357 0.000000       0.000000  
1 1 1 13 15 1  o 29.616  0.7398 322.044   16.060  306.909   21.879   339.726   23.649   28.887  1.0334 30.389  1.0617 -1.502136      1.481593  
1 1 1 13 15 2  o 28.524  0.7919 298.819   16.556  281.939   20.561   329.938   27.918   27.688  1.0132 29.922  1.2730 -2.233894      1.626953  
1 1 1 13 15 3  o 12.874  0.6914 61.018    6.5006  57.423    10.384   63.335    8.3359   12.436  1.1523 13.100  0.8732 -0.6635637     1.445780  
1 1 1 13 15 4  o 34.602  0.9240 440.103   23.434  459.969   31.657   416.020   34.856   35.335  1.2223 33.574  1.4164 1.760517       1.870908  
1 1 1 13 15 5  o 11.911  0.5666 52.057    4.9466  56.553    7.7339   48.944    6.4349   12.376  0.8579 11.519  0.7665 0.8574400      1.150437  
1 1 1 13 15 6  o 41.582  0.9900 636.039   30.173  619.412   42.118   653.570   43.247   40.958  1.4030 42.072  1.4024 -1.114307      1.983705  
1 1 1 13 15 7  o 19.683  0.5437 142.153   7.8439  133.353   10.275   154.445   12.144   19.054  0.7357 20.501  0.8081 -1.446920      1.092856  
1 1 1 13 15 8  o 17.082  0.5000 107.046   6.2599  106.903   9.0516   107.177   8.6665   17.060  0.7239 17.084  0.6921 -0.2343369E-01 1.001504  
1 1 1 13 15 9  o 41.336  0.8537 628.193   25.866  606.983   35.694   651.646   37.534   40.570  1.2004 42.032  1.2183 -1.462193      1.710312  
1 1 1 13 15 10 o 11.672  0.5130 49.988    4.3886  45.993    6.2302   53.923    6.1829   11.162  0.7662 12.097  0.7003 -0.9348040     1.038021  
1 1 1 13 15 11 o 29.897  0.6608 328.232   14.480  348.101   21.710   312.311   19.434   30.753  0.9631 29.136  0.9100 1.617012       1.325039  
1 1 1 13 15 12 o 26.221  0.6097 252.432   11.718  250.321   16.598   254.531   16.546   26.087  0.8680 26.307  0.8581 -0.2195740     1.220587  
1 1 1 13 15 13 o 14.621  0.5868 78.478    6.2885  92.620    11.912   73.014    7.4043   15.821  1.0329 14.078  0.7200 1.743229       1.259087  
1 1 1 13 15 14 o 21.765  0.5992 173.944   9.5586  167.572   12.515   182.866   14.809   21.347  0.7998 22.289  0.9065 -0.9420109     1.208907  
1 1 1 13 15 15 o 20.458  0.5465 153.656   8.1944  157.065   11.984   150.663   11.230   20.664  0.7912 20.242  0.7569 0.4223938      1.094968  
1 1 1 13 15 16 o 23.176  0.5797 197.282   9.8478  189.709   13.845   205.037   14.011   22.701  0.8321 23.603  0.8099 -0.9020729     1.161140  
1 1 1 13 15 17 o 7.6276  0.7252 21.598    4.0058  26.550    6.1413   17.932    5.2849   8.4191  1.0157 6.8832  1.0833 1.535818       1.485025  
1 1 1 13 15 18 o 11.155  0.5877 45.861    4.7879  42.274    7.0808   48.883    6.4987   10.664  0.9148 11.494  0.7759 -0.8300486     1.199519  
1 1 1 13 15 19 o 13.096  0.7555 63.387    7.2214  75.190    10.413   52.453    10.023   14.223  1.0054 11.833  1.1710 2.389667       1.543360  
1 1 1 13 15 20 o 15.375  0.5656 86.893    6.3735  84.731    8.7588   89.326    9.2919   15.141  0.7920 15.543  0.8185 -0.4018068     1.138948  
1 1 1 13 16 0  o 7.1583  1.1163 20.139    5.4325  0.0000    0.0000   20.139    5.4325   7.1583  1.1163 7.1583  1.1163 0.000000       0.000000  
1 1 1 13 16 1  o 17.017  0.5499 106.255   6.8584  120.573   10.646   96.096    8.9671   18.114  0.8018 16.174  0.7564 1.940451       1.102308  
1 1 1 13 16 2  o 47.403  1.1071 827.753   38.465  823.256   54.378   832.257   54.416   47.150  1.5735 47.410  1.5660 -0.2593727     2.219915  
1 1 1 13 16 3  o 38.072  0.9982 533.505   27.856  571.045   38.376   491.698   40.497   39.323  1.3314 36.448  1.5159 2.875168       2.017588  
1 1 1 13 16 4  o 40.519  1.0599 604.687   31.477  572.591   38.943   665.168   53.459   39.369  1.3496 42.326  1.7232 -2.956829      2.188779  
1 1 1 13 16 5  o 32.000  0.7912 376.335   18.556  413.315   28.810   350.117   24.259   33.479  1.1741 30.829  1.0736 2.650015       1.590918  
1 1 1 13 16 6  o 18.819  0.5781 129.984   7.9735  143.647   12.713   121.124   10.237   19.763  0.8776 18.155  0.7693 1.608032       1.167076  
1 1 1 13 16 7  o 15.648  0.5053 89.842    5.7959  92.097    8.1119   87.489    8.2841   15.834  0.6989 15.431  0.7324 0.4029522      1.012392  
1 1 1 13 16 8  o 43.211  0.8957 686.918   28.368  747.515   43.240   641.131   37.587   44.979  1.3116 41.676  1.2305 3.303089       1.798419  
1 1 1 13 16 9  o 15.742  0.5006 90.935    5.7757  95.353    8.6684   87.409    7.7454   16.109  0.7342 15.426  0.6850 0.6829510      1.004138  
1 1 1 13 16 10 o 16.977  0.5086 105.771   6.3291  97.099    8.7784   115.159   9.1336   16.255  0.7368 17.704  0.7039 -1.449392      1.018970  
1 1 1 13 16 11 o 31.198  0.6842 357.597   15.646  347.084   21.758   368.858   22.517   30.698  0.9670 31.645  0.9708 -0.9476414     1.370205  
1 1 1 13 16 12 o 46.188  0.9488 785.709   32.122  778.993   45.062   792.646   45.801   45.877  1.3401 46.274  1.3504 -0.3967590     1.902458  
1 1 1 13 16 13 o 8.6762  0.8663 27.982    5.4356  29.234    9.1125   27.291    6.7724   8.7607  1.4713 8.5283  1.1097 0.2323751      1.842858  
1 1 1 13 16 14 o 17.604  0.5256 113.771   6.7823  112.837   9.6191   114.694   9.5644   17.515  0.7493 17.660  0.7389 -0.1444759     1.052326  
1 1 1 13 16 15 o 16.767  0.5279 103.242   6.4877  110.705   9.5918   96.948    8.8083   17.345  0.7545 16.232  0.7403 1.112211       1.057051  
1 1 1 13 16 16 o 15.838  0.5352 92.148    6.2129  88.764    8.8287   95.469    8.7447   15.525  0.7759 16.104  0.7409 -0.5791359     1.072785  
1 1 1 13 16 17 o 12.636  0.6418 58.885    5.9250  52.986    7.3408   69.912    10.036   11.956  0.8431 13.713  1.0055 -1.756664      1.312151  
1 1 1 13 16 18 o 27.941  0.6930 287.468   14.193  297.407   19.516   276.310   20.677   28.364  0.9387 27.315  1.0328 1.049259       1.395635  
1 1 1 13 16 19 o 15.894  0.6510 92.960    7.5835  84.161    9.0146   114.261   14.027   15.083  0.8185 17.521  1.0978 -2.438072      1.369305  
1 1 1 13 17 0  f 2.8667  1.5314 4.3347    4.3895  22.672    9.3743   -0.8149   4.9677   7.0778  2.0797 2.0288  1.3314 0.000000       0.000000  
1 1 1 13 17 1  o 20.304  0.5459 151.312   8.1242  151.102   12.423   151.468   10.739   20.270  0.8361 20.304  0.7216 -0.3344154E-01 1.104467  
1 1 1 13 17 2  o 26.629  0.6897 260.479   13.461  277.533   20.151   246.735   18.090   27.451  1.0015 25.889  0.9533 1.561888       1.382684  
1 1 1 13 17 3  o 25.722  0.6706 243.015   12.643  233.639   17.745   252.681   18.017   25.191  0.9610 26.200  0.9382 -1.009296      1.343065  
1 1 1 13 17 4  o 7.7605  0.7533 22.341    4.2311  31.757    7.8785   18.525    5.0158   9.2001  1.1967 7.0222  1.0030 2.177940       1.561432  
1 1 1 13 17 5  o 40.518  0.9628 604.506   28.594  594.426   40.170   614.860   40.712   40.083  1.3673 40.768  1.3625 -0.6844635     1.930238  
1 1 1 13 17 6  o 18.348  0.5763 123.593   7.7506  114.202   11.096   132.542   10.831   17.619  0.8592 18.987  0.7783 -1.368628      1.159299  
1 1 1 13 17 7  o 22.766  0.6307 190.349   10.524  190.483   15.325   190.230   14.477   22.747  0.9192 22.737  0.8687 0.9613037E-02  1.264700  
1 1 1 13 17 8  o 21.191  0.5373 164.832   8.3454  165.699   11.901   163.994   11.706   21.229  0.7648 21.121  0.7562 0.1087399      1.075516  
1 1 1 13 17 9  o 31.197  0.6800 357.629   15.550  370.036   22.706   346.670   21.340   31.689  0.9775 30.677  0.9491 1.012081       1.362486  
1 1 1 13 17 10 o 15.954  0.5025 93.424    5.8762  95.410    8.4450   91.559    8.1817   16.111  0.7151 15.783  0.7073 0.3279333      1.005804  
1 1 1 13 17 11 o 23.785  0.5792 207.765   10.097  215.865   14.658   200.450   13.929   24.219  0.8258 23.339  0.8143 0.8793888      1.159707  
1 1 1 13 17 12 o 8.2361  0.7227 25.135    4.3185  16.848    6.7919   30.759    5.5952   6.6099  1.4424 9.1007  0.8486 -2.490836      1.673529  
1 1 1 13 17 13 o 26.576  0.8605 260.230   16.762  228.230   20.944   317.260   27.959   24.837  1.1505 29.244  1.3044 -4.406836      1.739261  
1 1 1 13 17 14 f 8.4796  0.8087 26.730    4.9653  24.115    7.5918   28.685    6.5638   7.9465  1.3518 8.7474  1.0444 -0.8008723     1.708282  
1 1 1 13 17 15 o 15.095  0.5274 83.713    5.8349  87.118    8.5441   80.738    7.9877   15.378  0.7580 14.806  0.7360 0.5715923      1.056583  
1 1 1 13 17 16 o 11.505  0.5749 48.671    4.8479  44.829    6.8952   52.426    6.8174   10.987  0.8632 11.899  0.7861 -0.9121895     1.167529  
1 1 1 13 17 17 o 17.589  0.5513 113.747   7.1076  122.001   10.492   106.746   9.6629   18.186  0.7871 17.013  0.7749 1.173231       1.104503  
1 1 1 13 17 18 o 19.074  0.5591 133.758   7.8157  125.608   11.028   141.982   11.078   18.450  0.8155 19.623  0.7703 -1.172981      1.121752  
1 1 1 13 18 0  o 36.259  1.0743 484.665   28.495  438.328   51.679   504.905   34.156   34.190  2.0799 36.970  1.2638 0.000000       0.000000  
1 1 1 13 18 1  f 11.229  0.5279 46.287    4.3450  45.804    6.8271   46.616    5.6331   11.125  0.8435 11.242  0.6869 -0.1168795     1.087804  
1 1 1 13 18 2  o 3.7434  1.1572 5.1566    3.4968  5.6138    5.5126   4.8488    4.5233   4.1480  1.4602 3.8169  1.3239 0.3311179      1.971034  
1 1 1 13 18 3  o 38.215  0.9254 537.853   25.920  599.372   40.476   495.091   33.747   40.222  1.3729 36.588  1.2584 3.634541       1.862391  
1 1 1 13 18 4  o 10.829  0.5813 43.182    4.5970  51.915    7.4958   37.917    5.8200   11.844  0.8695 10.123  0.7907 1.721666       1.175248  
1 1 1 13 18 5  o 19.902  0.5919 145.462   8.6348  130.259   11.879   162.493   12.573   18.811  0.8616 21.015  0.8163 -2.203768      1.186845  
1 1 1 13 18 6  o 28.001  0.7163 288.239   14.701  312.462   22.668   270.655   19.313   29.099  1.0628 27.098  0.9724 2.001509       1.440475  
1 1 1 13 18 7  o 19.116  0.5392 134.162   7.5545  130.682   10.170   138.445   11.284   18.852  0.7360 19.398  0.7936 -0.5465412     1.082376  
1 1 1 13 18 8  o 8.9746  0.6114 29.724    3.9978  29.995    5.6195   29.447    5.6886   8.9848  0.8640 8.8985  0.8839 0.8622551E-01  1.235992  
1 1 1 13 18 9  o 11.202  0.6897 46.309    5.6355  61.740    8.2290   32.680    7.7336   12.917  0.8743 9.3322  1.1553 3.585014       1.448850  
1 1 1 13 18 10 o 26.498  0.6578 258.110   12.776  270.898   17.600   243.865   18.576   27.113  0.8857 25.707  0.9859 1.405350       1.325278  
1 1 1 13 18 11 o 17.013  0.5134 106.291   6.4022  102.339   9.0226   110.299   9.0858   16.676  0.7382 17.315  0.7159 -0.6385632     1.028315  
1 1 1 13 18 12 o 26.467  0.6769 257.731   13.132  243.331   19.726   269.192   17.598   25.647  1.0493 27.011  0.8889 -1.364061      1.375215  
1 1 1 13 18 13 o 31.450  0.7582 364.444   17.478  374.569   23.580   352.102   26.036   31.818  1.0111 30.805  1.1531 1.012913       1.533641  
1 1 1 13 18 14 o 22.757  0.5742 190.430   9.5771  188.858   13.668   191.947   13.423   22.623  0.8243 22.811  0.8028 -0.1882725     1.150664  
1 1 1 13 18 15 o 11.678  0.5603 50.151    4.7960  50.625    6.9065   49.709    6.6651   11.684  0.8115 11.581  0.7899 0.1030989      1.132490  
1 1 1 13 18 16 o 10.819  0.5965 43.196    4.7116  48.939    7.0050   38.451    6.3670   11.481  0.8382 10.165  0.8627 1.315800       1.202878  
1 1 1 13 19 0  o 6.2708  1.1588 15.855    4.7909  4.8537    8.8627   20.397    5.6946   3.4280  2.0328 7.1739  1.1786 0.000000       0.000000  
1 1 1 13 19 1  o 24.503  0.6133 220.578   11.015  228.195   17.258   215.342   14.308   24.880  0.9464 24.188  0.8070 0.6913548      1.243773  
1 1 1 13 19 2  o 14.427  0.5261 76.423    5.5636  71.457    8.5994   79.999    7.2965   13.905  0.8478 14.752  0.6748 -0.8474722     1.083584  
1 1 1 13 19 3  o 9.9205  0.6598 36.332    4.7701  40.565    6.8544   32.357    6.6424   10.454  0.9034 9.3145  0.9880 1.139318       1.338807  
1 1 1 13 19 4  o 24.433  0.8272 219.794   14.814  208.308   16.769   260.609   31.610   23.766  0.9626 26.377  1.6431 -2.610880      1.904370  
1 1 1 13 19 5  f 28.706  0.8086 303.378   17.012  331.962   23.962   274.325   24.158   29.972  1.0907 27.220  1.2109 2.752069       1.629695  
1 1 1 13 19 6  o 36.821  0.8926 499.741   24.089  482.835   33.487   517.872   34.678   36.088  1.2660 37.374  1.2659 -1.286476      1.790345  
1 1 1 13 19 7  o 14.705  0.5196 79.413    5.6010  75.833    7.6888   83.460    8.1756   14.337  0.7341 15.060  0.7407 -0.7226191     1.042849  
1 1 1 13 19 8  o 21.481  0.5701 169.535   8.9765  176.305   12.579   162.508   12.814   21.880  0.7844 21.000  0.8325 0.8800030      1.143769  
1 1 1 13 19 9  o 4.5646  1.0324 8.0075    3.3732  7.9548    4.9834   8.0521    4.5826   4.5951  1.3736 4.5947  1.3015 0.4115105E-03  1.892293  
1 1 1 13 19 10 o 9.2884  0.5960 31.852    4.0363  29.350    5.8028   34.198    5.6181   8.8702  0.9052 9.5977  0.8061 -0.7274818     1.212109  
1 1 1 13 19 11 f 9.6956  0.6167 34.721    4.3600  27.404    6.0900   42.414    6.2449   8.5499  0.9901 10.694  0.8026 -2.143985      1.274550  
1 1 1 13 19 12 o 34.970  1.0674 453.683   27.360  471.188   54.734   447.852   31.590   34.940  2.1477 34.669  1.2431 0.2708244      2.481495  
1 1 1 13 19 13 o 19.999  0.5560 147.098   8.1502  144.713   11.604   149.421   11.450   19.799  0.7996 20.123  0.7763 -0.3237000     1.114472  
1 1 1 13 19 14 o 15.467  0.5341 87.972    6.0546  82.583    8.5200   93.469    8.6057   14.937  0.7809 15.918  0.7376 -0.9813938     1.074186  
1 1 1 13 19 15 o 13.029  0.5444 62.435    5.1986  70.365    7.7971   56.089    6.9753   13.786  0.7748 12.303  0.7775 1.482903       1.097641  
1 1 1 13 20 0  o 1.6292  1.1180 -2.9529   4.3052  -9.8599   8.7880   -0.7717   4.9384   2.0889  1.4699 2.0243  1.3281 0.000000       0.000000  
1 1 1 13 20 1  o 18.572  0.5468 126.710   7.4433  118.743   11.208   132.998   9.9561   17.947  0.8520 19.011  0.7145 -1.063354      1.111951  
1 1 1 13 20 2  o 30.250  0.7158 336.774   15.870  328.533   24.277   342.924   20.972   29.789  1.1119 30.479  0.9388 -0.6896553     1.455179  
1 1 1 13 20 3  o 20.427  0.8332 153.802   12.475  158.911   24.150   151.943   14.570   20.540  1.6172 20.280  0.9802 0.2596321      1.891064  
1 1 1 13 20 4  o 21.073  1.0146 164.174   15.671  0.0000    0.0000   164.174   15.671   ?       ?      21.073  1.0146 0.000000       1.014616  
1 1 1 13 20 5  o 7.1094  1.2245 19.281    6.1506  22.873    8.3790   15.083    9.0570   7.6900  1.5403 6.2644  1.8468 1.425557       2.404816  
1 1 1 13 20 6  o 22.942  0.7152 193.821   12.026  186.536   15.631   204.390   18.828   22.466  0.9492 23.485  1.0938 -1.018438      1.448236  
1 1 1 13 20 7  o 18.085  0.6599 120.387   8.7480  128.972   12.261   111.488   12.485   18.685  0.8953 17.330  0.9869 1.354643       1.332515  
1 1 1 13 20 8  o 3.7066  1.1833 5.0085    3.6281  13.915    5.3243   -2.7120   4.9571   6.0050  1.2503 2.6370  1.1938 3.367979       1.728718  
1 1 1 13 20 9  f 22.119  0.5628 179.932   9.1246  186.419   13.481   174.449   12.395   22.470  0.8186 21.744  0.7777 0.7254906      1.129128  
1 1 1 13 20 10 o 19.755  0.5467 143.533   7.9159  143.073   11.339   143.970   11.056   19.687  0.7858 19.753  0.7636 -0.6558609E-01 1.095737  
1 1 1 13 20 11 o 34.750  0.8095 446.138   20.617  452.884   32.341   441.518   26.760   34.809  1.2676 34.471  1.0591 0.3379440      1.651829  
1 1 1 13 20 12 o 12.048  0.6806 53.677    5.9856  48.314    8.3865   59.246    8.5455   11.363  1.0178 12.611  0.9311 -1.248546      1.379412  
1 1 1 13 20 13 o 14.111  0.5343 73.236    5.5263  80.313    8.2667   67.517    7.4308   14.729  0.7684 13.504  0.7538 1.224895       1.076392  
1 1 1 13 21 0  o 15.161  0.7087 85.014    7.8357  96.517    15.619   81.145    9.0580   15.981  1.3559 14.780  0.8424 0.000000       0.000000  
1 1 1 13 21 1  o 19.550  0.5566 140.553   7.9760  149.108   12.838   135.175   10.179   20.087  0.8719 19.150  0.7252 0.9369850      1.134103  
1 1 1 13 21 2  o 3.6119  1.1694 4.7136    3.5334  8.5983    5.7532   2.3608    4.4774   4.7887  1.4849 3.2631  1.2813 1.525521       1.961309  
1 1 1 13 21 3  o 23.866  0.7227 209.981   12.642  199.910   16.273   225.310   20.078   23.236  0.9555 24.624  1.1125 -1.387398      1.466460  
1 1 1 13 21 4  o 16.048  0.6358 94.822    7.4791  95.388    10.449   94.227    10.710   16.035  0.8925 15.931  0.9212 0.1044340      1.282644  
1 1 1 13 21 5  o 13.220  0.6325 64.354    6.1288  64.391    8.5402   64.314    8.8005   13.164  0.8904 13.150  0.9188 0.1381493E-01  1.279474  
1 1 1 13 21 6  o 12.492  0.6596 57.655    6.0184  60.883    8.6488   54.624    8.3802   12.788  0.9290 12.105  0.9522 0.6836271      1.330349  
1 1 1 13 21 7  o 9.4498  0.6661 33.072    4.5842  29.306    7.4293   35.387    5.8255   8.7895  1.1833 9.7506  0.8228 -0.9610491     1.441214  
1 1 1 13 21 8  o 10.622  0.5892 41.665    4.5690  43.811    6.8432   39.939    6.1374   10.846  0.8681 10.363  0.8146 0.4832687      1.190438  
1 1 1 13 21 9  o 9.7845  0.6278 35.418    4.4788  41.404    6.6723   30.510    6.0424   10.539  0.8716 9.0254  0.9265 1.513807       1.272054  
1 1 1 13 21 10 o 7.3644  0.7408 20.225    3.9445  25.601    5.9921   16.114    5.2399   8.2401  1.0135 6.4810  1.1449 1.759024       1.529056  
1 1 1 13 21 11 o 23.939  0.6467 211.230   11.347  197.586   17.498   221.129   14.905   23.050  1.0357 24.448  0.8318 -1.397871      1.328399  
1 1 1 13 22 0  o 25.737  0.8649 244.845   16.274  192.379   26.686   275.911   20.534   22.531  1.6357 27.280  1.0303 0.000000       0.000000  
1 1 1 13 22 1  o 15.033  0.5517 83.171    6.0786  85.968    9.5052   81.236    7.9066   15.214  0.8558 14.833  0.7272 0.3811054      1.123085  
1 1 1 13 22 2  o 18.635  0.5649 127.844   7.7154  132.492   12.324   124.849   9.8941   18.908  0.8893 18.387  0.7341 0.5209942      1.153157  
1 1 1 13 22 3  o 24.064  0.7318 213.853   12.907  205.651   16.731   225.914   20.287   23.530  0.9701 24.606  1.1249 -1.075586      1.485372  
1 1 1 13 22 4  o 8.1517  0.7808 24.788    4.6081  30.783    6.9366   20.052    6.1651   9.0302  1.0687 7.2298  1.2059 1.800471       1.611338  
1 1 1 13 22 5  f 9.1409  0.7363 31.063    4.8912  31.336    7.3294   30.844    6.5676   9.0971  1.1231 9.0528  1.0068 0.4426289E-01  1.508307  
1 1 1 13 22 6  o 11.629  0.6586 50.044    5.5911  40.260    7.8684   60.021    7.9462   10.345  1.0524 12.699  0.8587 -2.354557      1.358313  
1 1 1 13 22 7  f 8.4700  0.8279 26.808    5.0741  27.790    7.5213   25.988    6.8741   8.5272  1.2397 8.2600  1.1680 0.2671680      1.703241  
1 1 1 13 22 8  o 29.836  0.7746 329.153   16.939  321.856   24.227   336.131   23.694   29.359  1.1258 30.027  1.0766 -0.6678524     1.557739  
1 1 1 13 23 0  o 4.4249  1.6482 9.7773    4.9745  6.8256    9.8580   10.786    5.7620   3.7664  2.1844 4.5959  1.7921 0.000000       0.000000  
1 1 1 13 23 1  o 5.8950  0.8785 13.166    3.6798  11.999    5.6768   14.011    4.8326   5.5300  1.3994 6.0274  1.1356 -0.4973655     1.802155  
1 1 1 13 23 2  o 8.9041  0.7392 29.509    4.7808  41.014    7.3426   21.042    6.2990   10.457  0.9690 7.4030  1.2021 3.054015       1.544027  
1 1 1 13 23 3  o 7.3108  0.8578 20.082    4.5091  16.492    6.2680   23.932    6.4915   6.4978  1.3597 7.9191  1.1522 -1.421236      1.782244  
1 1 1 14 0  0  o 123.743 4.8750 5660.76   440.594 5455.89   600.598  5899.48   648.324  120.961 6.8239 125.745 7.0858 0.000000       0.000000  
1 1 1 14 0  1  o 107.439 3.0186 4253.73   237.283 3978.12   316.571  4607.09   358.457  103.621 4.1836 111.488 4.4022 0.000000       0.000000  
1 1 1 14 0  2  o 70.058  1.9921 1805.60   102.104 2042.48   163.377  1653.78   130.793  74.354  3.0090 66.932  2.6758 0.000000       0.000000  
1 1 1 14 0  3  o 188.062 5.2438 13120.42  721.549 12458.14  968.344  13947.17  1081.93  182.215 7.2768 192.587 7.6925 0.000000       0.000000  
1 1 1 14 0  4  o 207.611 5.8269 16034.05  885.107 15941.06  1238.30  16131.18  1265.60  205.481 8.2522 206.607 8.3888 0.000000       0.000000  
1 1 1 14 0  5  o 69.959  1.9784 1800.72   101.263 1679.67   133.804  1963.00   154.921  67.439  2.7170 72.893  2.9102 0.000000       0.000000  
1 1 1 14 0  6  o 11.488  0.7774 49.040    6.4769  66.968    9.9254   35.743    8.5477   13.399  1.0244 9.6292  1.2731 0.000000       0.000000  
1 1 1 14 0  7  o 94.658  3.0544 3307.70   211.417 3016.88   333.815  3502.48   273.193  89.779  5.1107 97.211  3.8479 0.000000       0.000000  
1 1 1 14 0  8  o 10.193  0.8398 38.855    6.1758  30.401    10.557   43.254    7.6147   8.5155  1.9409 10.727  0.9877 0.000000       0.000000  
1 1 1 14 0  9  o 36.155  1.0880 480.649   28.772  376.651   45.442   550.237   37.172   31.846  1.9639 38.663  1.3151 0.000000       0.000000  
1 1 1 14 0  10 o 15.193  0.7319 85.203    8.1066  65.323    13.473   96.484    10.149   13.109  1.4473 16.153  0.8628 0.000000       0.000000  
1 1 1 14 0  11 o 31.638  0.9859 368.138   22.812  397.224   46.931   359.139   26.103   32.703  1.9744 31.228  1.1439 0.000000       0.000000  
1 1 1 14 0  12 o 42.679  1.2457 670.041   38.892  586.477   67.812   711.000   47.476   39.714  2.3484 43.935  1.4781 0.000000       0.000000  
1 1 1 14 0  13 o 18.559  0.7480 126.904   10.137  151.042   20.597   119.190   11.644   20.136  1.4115 17.962  0.8895 0.000000       0.000000  
1 1 1 14 0  14 f 2.4349  1.4814 1.9320    4.9511  -3.7295   8.7156   4.6295    6.0160   2.4891  1.6744 3.0872  1.7411 0.000000       0.000000  
1 1 1 14 0  15 o 8.1628  3.4107 34.765    20.431  0.0000    0.0000   34.765    20.431   8.1628  3.4107 8.1628  3.4107 0.000000       0.000000  
1 1 1 14 0  16 o 21.366  0.7932 168.139   12.383  148.755   21.112   178.306   15.290   19.960  1.4611 21.982  0.9530 0.000000       0.000000  
1 1 1 14 0  17 o 15.289  0.7529 86.365    8.3906  88.428    14.858   85.398    10.167   15.339  1.3453 15.172  0.9221 0.000000       0.000000  
1 1 1 14 0  18 o 20.565  0.7886 155.826   11.847  149.982   20.933   158.580   14.370   20.043  1.4421 20.722  0.9507 0.000000       0.000000  
1 1 1 14 0  19 o 16.208  0.8220 97.127    9.7083  114.490   16.984   88.701    11.832   17.496  1.3426 15.435  1.0572 0.000000       0.000000  
1 1 1 14 0  20 o 25.878  0.8745 246.612   16.545  230.533   29.263   254.167   20.059   24.865  1.6215 26.246  1.0465 0.000000       0.000000  
1 1 1 14 0  21 o 13.485  0.7927 67.417    7.7735  68.264    12.946   66.940    9.7210   13.425  1.3467 13.390  1.0035 0.000000       0.000000  
1 1 1 14 0  22 o 3.4101  1.7520 6.2785    5.5781  3.4407    8.4912   8.4329    7.3983   3.1936  1.9416 3.9451  2.0197 0.000000       0.000000  
1 1 1 14 0  23 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 14 0  24 o 2.2768  1.4591 0.2463    5.5020  -3.7891   8.0950   3.7113    7.5010   2.3643  1.5973 3.0971  1.8538 0.000000       0.000000  
1 1 1 14 0  25 o 3.0400  1.6940 4.6493    5.6096  5.2881    8.2682   4.1044    7.6358   3.4272  1.9950 3.1734  1.8845 0.000000       0.000000  
1 1 1 14 1  0  o 45.880  1.3133 773.797   44.082  830.373   66.357   729.108   58.976   47.455  1.9149 44.467  1.8164 0.000000       0.000000  
1 1 1 14 1  1  o 50.808  1.0863 946.824   40.455  974.965   54.967   913.567   59.755   51.540  1.4550 49.881  1.6344 1.658951       2.188240  
1 1 1 14 1  2  o 103.136 2.0428 3909.89   154.428 3836.00   212.795  3992.10   224.459  102.015 2.8459 104.049 2.9432 -2.034149      4.094090  
1 1 1 14 1  3  o 110.081 2.1617 4456.16   174.420 4885.53   268.627  4143.20   229.339  115.034 3.1860 105.990 2.9521 9.044060       4.343445  
1 1 1 14 1  4  o 19.429  0.5435 138.375   7.7402  129.770   9.9082   151.848   12.398   18.814  0.7185 20.350  0.8312 -1.536188      1.098724  
1 1 1 14 1  5  o 91.665  1.8068 3087.34   121.393 3032.45   167.771  3147.64   175.865  90.736  2.5227 92.429  2.5959 -1.693581      3.619751  
1 1 1 14 1  6  o 30.430  0.6594 339.487   14.707  331.839   20.480   347.629   21.132   30.080  0.9289 30.787  0.9365 -0.7071972     1.319024  
1 1 1 14 1  7  o 63.386  1.2692 1474.60   58.966  1580.26   88.469   1390.13   79.098   65.564  1.8409 61.503  1.7546 4.061871       2.543199  
1 1 1 14 1  8  o 80.874  1.6059 2403.10   95.195  2347.94   131.350  2464.14   138.160  79.844  2.2444 81.785  2.3048 -1.940727      3.217072  
1 1 1 14 1  9  o 62.655  1.2472 1441.06   57.275  1565.15   87.369   1347.55   75.846   65.234  1.8273 60.543  1.7092 4.690643       2.502026  
1 1 1 14 1  10 f 72.492  1.4433 1930.64   76.688  1872.39   104.977  1997.31   112.298  71.308  2.0085 73.635  2.0807 -2.327530      2.891946  
1 1 1 14 1  11 o 37.468  0.7869 514.908   21.610  498.757   29.717   533.036   31.483   36.861  1.0999 38.105  1.1273 -1.244076      1.574956  
1 1 1 14 1  12 o 74.809  1.4869 2058.05   81.527  1916.05   107.618  2249.30   124.894  72.073  2.0372 78.052  2.1831 -5.979095      2.985991  
1 1 1 14 1  13 o 34.317  0.7337 432.012   18.454  450.869   26.967   415.403   25.308   35.040  1.0500 33.635  1.0266 1.404861       1.468436  
1 1 1 14 1  14 o 64.428  1.2829 1526.70   60.584  1491.12   83.717   1565.83   87.784   63.564  1.7969 65.127  1.8390 -1.562164      2.571120  
1 1 1 14 1  15 o 26.070  1.2661 250.066   24.192  299.183   36.159   210.263   32.551   28.413  1.7447 23.776  1.8833 4.636799       2.567276  
1 1 1 14 1  16 o 77.596  1.7851 2226.08   101.530 2219.69   143.851  2232.42   143.320  77.138  2.5443 77.368  2.5274 -0.2298508     3.586200  
1 1 1 14 1  17 o 38.812  0.8170 553.195   23.241  553.649   32.914   552.743   32.821   38.788  1.1577 38.757  1.1554 0.3146362E-01  1.635598  
1 1 1 14 1  18 o 33.770  0.7381 418.667   18.268  400.850   24.971   439.184   26.797   33.016  1.0319 34.555  1.0580 -1.539581      1.477878  
1 1 1 14 1  19 o 22.558  0.5830 186.715   9.6402  194.067   13.818   179.742   13.456   22.985  0.8202 22.120  0.8300 0.8652039      1.166848  
1 1 1 14 1  20 o 23.298  0.5892 199.187   10.061  179.323   13.229   226.443   15.496   22.093  0.8170 24.824  0.8517 -2.730885      1.180146  
1 1 1 14 1  21 o 34.374  0.7476 434.036   18.835  412.909   25.501   459.395   27.938   33.491  1.0389 35.320  1.0792 -1.828732      1.497966  
1 1 1 14 1  22 o 14.030  0.6094 72.273    6.2664  61.029    9.4845   80.983    8.3480   12.832  1.0167 14.824  0.7710 -1.991356      1.275991  
1 1 1 14 1  23 o 18.204  2.1922 126.479   28.662  0.0000    0.0000   126.479   28.662   ?       ?      18.204  2.1922 0.000000       2.192209  
1 1 1 14 1  24 o 48.036  0.9959 851.144   35.063  888.316   51.526   819.086   47.850   48.903  1.4375 46.980  1.3896 1.923687       1.999348  
1 1 1 14 2  0  o 78.143  2.1957 2247.01   125.536 2610.85   203.653  2024.04   159.428  84.044  3.3177 74.026  2.9489 0.000000       0.000000  
1 1 1 14 2  1  o 61.239  1.2120 1375.83   54.401  1360.16   76.120   1392.20   77.776   60.857  1.7065 61.569  1.7235 -0.7114944     2.425381  
1 1 1 14 2  2  o 21.001  0.5173 161.669   7.9626  153.736   10.853   170.920   11.719   20.478  0.7231 21.592  0.7405 -1.113962      1.034962  
1 1 1 14 2  3  o 13.688  0.4908 68.681    4.9245  69.959    6.9971   67.427    6.9319   13.797  0.6942 13.544  0.7007 0.2530022      0.9863209 
1 1 1 14 2  4  f 44.222  0.9043 717.153   29.310  714.992   41.706   719.262   41.200   44.141  1.2891 44.274  1.2696 -0.1324844     1.809302  
1 1 1 14 2  5  o 78.755  1.5584 2277.56   89.958  2346.53   130.928  2215.89   123.808  79.855  2.2369 77.609  2.1765 2.246208       3.121043  
1 1 1 14 2  6  o 38.156  0.8412 533.885   23.526  512.725   30.087   567.181   37.741   37.384  1.0980 39.311  1.3098 -1.926517      1.709181  
1 1 1 14 2  7  o 51.906  1.0424 988.407   39.659  933.292   53.172   1057.52   59.540   50.415  1.4389 53.660  1.5138 -3.244831      2.088594  
1 1 1 14 2  8  o 57.251  1.1422 1202.80   47.931  1180.08   66.688   1227.07   68.937   56.672  1.6054 57.787  1.6276 -1.115276      2.286138  
1 1 1 14 2  9  o 82.059  1.6137 2474.78   97.055  2535.93   140.454  2418.90   134.267  82.943  2.3103 81.016  2.2611 1.926559       3.232681  
1 1 1 14 2  10 o 71.357  1.4164 1870.59   74.082  1783.52   99.922   1976.87   110.395  69.599  1.9587 73.257  2.0560 -3.658211      2.839659  
1 1 1 14 2  11 o 16.862  0.5149 104.234   6.3641  108.009   9.1195   100.651   8.8854   17.161  0.7250 16.566  0.7318 0.5949154      1.030113  
1 1 1 14 2  12 o 51.172  1.0382 961.316   38.940  975.557   55.664   947.666   54.494   51.504  1.4745 50.763  1.4646 0.7403908      2.078290  
1 1 1 14 2  13 o 104.691 2.0802 4049.74   159.626 4132.28   229.061  3971.80   222.568  105.310 2.9676 103.260 2.9407 2.049797       4.177814  
1 1 1 14 2  14 o 56.937  1.1434 1191.53   47.717  1270.39   71.600   1128.53   64.001   58.695  1.6643 55.338  1.5779 3.357079       2.293373  
1 1 1 14 2  15 o 47.613  1.9567 838.792   68.287  884.589   99.869   798.580   93.582   48.572  2.8173 46.157  2.7791 2.415306       3.957356  
1 1 1 14 2  16 o 27.885  0.7373 285.415   15.069  279.390   21.651   291.075   20.985   27.566  1.0716 28.141  1.0174 -0.5750084     1.477631  
1 1 1 14 2  17 o 12.391  0.5473 56.319    4.9705  47.632    6.7728   66.461    7.3176   11.359  0.8189 13.434  0.7461 -2.075047      1.107832  
1 1 1 14 2  18 o 15.347  0.5290 86.397    5.9511  89.035    8.5129   83.875    8.3224   15.573  0.7458 15.114  0.7512 0.4582605      1.058596  
1 1 1 14 2  19 o 31.952  0.7086 374.818   16.596  394.663   24.470   357.913   22.585   32.756  1.0192 31.198  0.9877 1.558907       1.419239  
1 1 1 14 2  20 o 40.176  0.8464 593.128   24.924  628.850   37.050   563.599   33.685   41.308  1.2237 39.114  1.1749 2.193230       1.696446  
1 1 1 14 2  21 o 32.281  0.7196 382.724   17.027  415.974   25.731   356.823   22.710   33.613  1.0444 31.138  0.9951 2.474878       1.442537  
1 1 1 14 2  22 o 27.890  0.6522 285.691   13.333  307.774   19.968   267.922   17.912   28.914  0.9422 26.982  0.9057 1.932308       1.306909  
1 1 1 14 2  23 o 14.276  0.8120 75.228    8.4614  72.167    8.9384   101.635   26.252   13.974  0.8772 16.266  2.2632 -2.292578      2.427226  
1 1 1 14 2  24 o 26.674  0.6813 261.548   13.321  269.204   18.197   252.709   19.552   27.027  0.9186 26.169  1.0194 0.8579845      1.372188  
1 1 1 14 3  0  f 42.652  1.2268 668.728   38.281  679.278   54.842   658.704   53.459   42.922  1.7499 42.266  1.7322 0.000000       0.000000  
1 1 1 14 3  1  o 116.996 2.4698 5039.38   211.799 5458.14   302.530  4636.83   296.615  121.514 3.3967 111.936 3.6153 9.578545       4.960648  
1 1 1 14 3  2  o 73.646  1.4514 1990.90   78.348  1899.58   105.679  2102.35   116.748  71.885  2.0057 75.613  2.1066 -3.727470      2.908686  
1 1 1 14 3  3  o 92.712  1.8292 3158.33   124.303 3487.92   193.388  2926.30   162.262  97.278  2.7123 89.144  2.4834 8.134300       3.677439  
1 1 1 14 3  4  o 37.886  0.7818 526.299   21.710  496.884   29.107   563.181   32.593   36.804  1.0790 39.181  1.1349 -2.376495      1.565995  
1 1 1 14 3  5  o 75.523  1.4927 2094.28   82.630  1993.13   110.926  2220.38   123.854  73.614  2.0558 77.681  2.1753 -4.066711      2.993043  
1 1 1 14 3  6  o 100.393 1.9698 3706.72   144.949 3657.31   180.766  3795.71   242.585  99.621  2.4756 101.280 3.2678 -1.659401      4.099700  
1 1 1 14 3  7  o 65.792  1.3047 1589.03   62.917  1559.90   87.186   1620.69   90.886   65.134  1.8262 66.386  1.8678 -1.252037      2.612277  
1 1 1 14 3  8  o 71.556  1.4214 1880.47   74.547  2060.08   114.869  1749.79   97.983   74.802  2.0951 68.962  1.9385 5.840324       2.854334  
1 1 1 14 3  9  o 66.314  1.3185 1614.80   64.084  1613.35   90.493   1616.25   90.764   66.219  1.8645 66.278  1.8684 -0.5897522E-01 2.639522  
1 1 1 14 3  10 o 39.383  0.8750 568.959   25.256  566.811   38.401   570.597   33.529   39.283  1.3337 39.425  1.1603 -0.1417618     1.767766  
1 1 1 14 3  11 o 71.452  1.4256 1876.64   74.660  1720.74   96.618   2107.71   117.625  68.335  1.9290 75.586  2.1231 -7.250969      2.868584  
1 1 1 14 3  12 o 8.2395  0.6914 25.076    4.1371  28.425    5.7705   21.534    5.9344   8.7533  0.9128 7.5790  1.1004 1.174306       1.429761  
1 1 1 14 3  13 o 49.548  1.0034 901.509   36.440  863.950   49.495   945.965   53.848   48.460  1.3935 50.700  1.4490 -2.240074      2.010335  
1 1 1 14 3  14 o 22.959  0.7046 193.400   11.856  174.448   23.595   199.803   13.714   21.711  1.4917 23.332  0.8019 -1.620924      1.693619  
1 1 1 14 3  15 o 6.5534  1.1978 16.289    5.5415  19.513    5.8658   -10.4785  16.902   7.1960  1.1509 4.7988  2.1849 2.397164       2.469519  
1 1 1 14 3  16 o 37.954  1.0150 529.539   28.236  579.398   39.991   479.975   39.874   39.651  1.3761 36.069  1.5083 3.582172       2.041661  
1 1 1 14 3  17 o 26.951  0.6238 266.526   12.322  258.496   17.118   275.161   17.751   26.526  0.8804 27.367  0.8849 -0.8413525     1.248317  
1 1 1 14 3  18 o 31.224  0.6945 357.880   15.895  345.983   21.972   370.941   23.022   30.676  0.9772 31.762  0.9889 -1.085939      1.390276  
1 1 1 14 3  19 o 53.692  1.0953 1061.08   43.104  1094.07   62.602   1031.35   59.438   54.397  1.5701 52.825  1.5351 1.571964       2.195889  
1 1 1 14 3  20 o 53.300  1.1716 1046.64   45.770  1033.03   59.475   1066.42   71.677   52.853  1.5353 53.601  1.8244 -0.7481194     2.384423  
1 1 1 14 3  21 o 43.379  1.0569 693.003   33.603  684.910   46.943   701.508   48.123   43.023  1.4887 43.535  1.5081 -0.5127029     2.119070  
1 1 1 14 3  22 o 15.426  0.5862 87.368    6.6284  89.279    9.0628   85.170    9.7195   15.562  0.7972 15.189  0.8768 0.3729343      1.185030  
1 1 1 14 3  23 o 3.4841  1.2351 3.8884    3.9506  -0.8874   5.4788   9.0611    5.7019   3.0389  1.3207 4.9125  1.4695 -1.873610      1.975776  
1 1 1 14 3  24 o 27.899  0.6654 286.102   13.607  286.954   19.079   285.218   19.412   27.900  0.9329 27.812  0.9522 0.8791924E-01  1.333105  
1 1 1 14 4  0  o 68.545  1.9403 1728.57   97.305  1600.73   128.322  1901.54   149.258  65.836  2.6692 71.749  2.8484 0.000000       0.000000  
1 1 1 14 4  1  o 97.586  1.9145 3500.20   136.939 3553.06   195.977  3449.76   191.425  98.175  2.7235 96.742  2.6996 1.432709       3.834745  
1 1 1 14 4  2  o 65.262  1.2983 1563.02   62.106  1627.48   91.540   1508.05   84.539   66.545  1.8768 64.064  1.8004 2.480934       2.600712  
1 1 1 14 4  3  f 43.542  0.8864 695.263   28.290  636.704   36.703   780.969   44.403   41.656  1.2021 46.130  1.3132 -4.473175      1.780351  
1 1 1 14 4  4  o 79.870  1.5821 2342.91   92.616  2332.38   130.215  2353.69   131.757  79.606  2.2317 79.966  2.2480 -0.3602524     3.167613  
1 1 1 14 4  5  o 18.543  0.5006 126.040   6.8034  132.249   9.9480   120.584   9.3250   18.992  0.7146 18.135  0.7015 0.8567696      1.001423  
1 1 1 14 4  6  o 45.463  0.9207 758.109   30.680  749.112   38.505   773.752   50.771   45.182  1.1627 45.898  1.5092 -0.7162857     1.905140  
1 1 1 14 4  7  o 96.297  2.0358 3412.97   143.688 3319.46   184.504  3557.09   229.059  94.828  2.6545 98.007  3.1887 -3.179100      4.148998  
1 1 1 14 4  8  o 12.351  0.5160 55.919    4.6708  56.932    6.7549   54.991    6.4657   12.438  0.7444 12.225  0.7248 0.2132463      1.038985  
1 1 1 14 4  9  o 33.244  0.7151 405.277   17.425  366.330   22.633   461.960   27.304   31.598  0.9773 35.480  1.0499 -3.882233      1.434370  
1 1 1 14 4  10 o 80.039  1.5896 2355.92   93.257  2218.68   123.787  2536.05   141.814  77.555  2.1776 82.877  2.3346 -5.321472      3.192531  
1 1 1 14 4  11 o 45.048  0.9227 744.713   30.465  722.188   42.093   769.490   44.148   44.333  1.2954 45.760  1.3163 -1.426899      1.846791  
1 1 1 14 4  12 o 25.105  0.5890 231.117   10.837  233.305   15.481   229.014   15.177   25.215  0.8376 24.982  0.8288 0.2326679      1.178377  
1 1 1 14 4  13 o 28.671  0.6425 301.531   13.502  298.645   19.012   304.469   19.180   28.521  0.9094 28.798  0.9086 -0.2768250     1.285575  
1 1 1 14 4  14 o 71.602  1.6434 1891.36   86.251  1851.71   146.451  1912.42   106.723  70.389  2.8386 71.877  2.0258 -1.487633      3.487310  
1 1 1 14 4  15 o 27.458  0.7287 276.698   14.665  294.412   21.149   260.296   20.352   28.304  1.0195 26.612  1.0434 1.692131       1.458745  
1 1 1 14 4  16 o 38.748  1.0405 552.080   29.551  547.693   38.203   558.616   46.627   38.550  1.3520 38.882  1.6361 -0.3319054     2.122478  
1 1 1 14 4  17 o 26.021  0.7182 248.565   13.699  250.858   19.685   246.413   19.075   26.118  1.0283 25.888  1.0053 0.2304783      1.438034  
1 1 1 14 4  18 o 59.959  1.2092 1324.21   53.140  1231.76   70.025   1449.74   81.596   57.701  1.6557 62.553  1.7797 -4.852180      2.430777  
1 1 1 14 4  19 o 38.951  0.8320 557.438   23.754  545.798   33.273   569.537   33.922   38.492  1.1793 39.321  1.1770 -0.8285980     1.666191  
1 1 1 14 4  20 o 37.315  0.8035 511.618   21.975  491.106   30.031   535.261   32.242   36.515  1.1221 38.115  1.1541 -1.600628      1.609647  
1 1 1 14 4  21 o 28.997  0.6669 308.777   14.174  301.959   19.762   316.001   20.340   28.647  0.9412 29.305  0.9470 -0.6577911     1.335132  
1 1 1 14 4  22 o 23.073  0.6932 195.610   11.723  230.262   22.498   182.697   13.734   24.962  1.2297 22.284  0.8409 2.677998       1.489684  
1 1 1 14 4  23 o 10.765  0.6064 42.707    4.7651  45.020    6.7810   40.450    6.6976   11.027  0.8455 10.443  0.8833 0.5833111      1.222678  
1 1 1 14 4  24 o 14.395  0.6444 76.155    6.7991  87.078    10.829   69.047    8.7356   15.335  0.9684 13.662  0.8770 1.672994       1.306457  
1 1 1 14 5  0  o 10.158  0.8879 38.689    6.4951  31.215    11.259   42.417    7.9514   8.5699  2.0675 10.604  1.0465 0.000000       0.000000  
1 1 1 14 5  1  o 13.369  0.4814 65.511    4.7168  63.106    6.5265   68.140    6.8248   13.102  0.6820 13.616  0.6861 -0.5137043     0.9673562 
1 1 1 14 5  2  o 50.048  1.0091 918.769   37.019  934.457   53.470   904.329   51.301   50.450  1.4460 49.632  1.4102 0.8177185      2.019831  
1 1 1 14 5  3  o 17.390  0.4922 110.856   6.2737  108.901   8.8147   112.862   8.9311   17.234  0.6978 17.545  0.6945 -0.3106842     0.9845055 
1 1 1 14 5  4  o 57.742  1.1626 1223.46   49.204  1227.69   70.152   1219.37   69.032   57.804  1.6558 57.610  1.6348 0.1942902      2.326861  
1 1 1 14 5  5  o 77.732  1.5424 2219.64   87.875  2111.55   117.994  2354.25   131.678  75.735  2.1256 79.948  2.2471 -4.213097      3.093166  
1 1 1 14 5  6  o 33.601  0.7101 413.994   17.490  401.226   21.606   438.263   29.788   33.074  0.8913 34.556  1.1761 -1.482250      1.475630  
1 1 1 14 5  7  f 48.508  1.0547 863.411   37.501  919.741   52.543   804.924   53.539   50.039  1.4326 46.802  1.5607 3.237450       2.118548  
1 1 1 14 5  8  o 3.4027  1.1603 3.8951    3.4693  5.9364    5.0091   2.0134    4.8095   4.1569  1.3943 3.3126  1.3193 0.8443825      1.919537  
1 1 1 14 5  9  o 48.941  0.9860 878.939   35.371  897.996   51.002   861.278   49.098   49.436  1.4075 48.417  1.3835 1.019077       1.973656  
1 1 1 14 5  10 o 50.243  1.0211 926.587   37.605  866.367   49.886   1005.84   57.228   48.549  1.4019 52.301  1.4929 -3.751564      2.047937  
1 1 1 14 5  11 o 44.764  1.0568 735.788   34.674  760.495   43.761   694.111   56.837   45.486  1.3126 43.400  1.7867 2.085537       2.217045  
1 1 1 14 5  12 o 39.842  0.9723 582.847   28.392  571.949   39.260   594.795   41.110   39.432  1.3584 40.208  1.3949 -0.7758064     1.947036  
1 1 1 14 5  13 o 30.629  0.7227 344.230   16.224  338.600   21.327   351.964   24.995   30.364  0.9583 30.947  1.1019 -0.5827942     1.460329  
1 1 1 14 5  14 o 30.997  0.9636 352.977   21.894  328.735   39.976   363.363   26.167   29.763  1.8415 31.435  1.1357 -1.671835      2.163537  
1 1 1 14 5  15 o 20.801  0.5510 158.709   8.4006  166.076   12.255   152.180   11.538   21.269  0.7861 20.360  0.7731 0.9086857      1.102616  
1 1 1 14 5  16 o 21.129  0.7998 163.941   12.386  189.312   16.136   127.557   19.323   22.694  0.9701 18.541  1.4330 4.152830       1.730480  
1 1 1 14 5  17 o 15.149  0.5190 84.183    5.7632  97.003    8.7573   74.389    7.6543   16.255  0.7350 14.215  0.7372 2.039285       1.041011  
1 1 1 14 5  18 o 15.755  0.5309 91.057    6.1309  101.901   9.2116   82.434    8.2147   16.658  0.7545 14.983  0.7480 1.675158       1.062430  
1 1 1 14 5  19 o 34.933  0.7591 448.201   19.436  453.294   27.678   443.247   27.298   35.092  1.0761 34.701  1.0733 0.3907013      1.519828  
1 1 1 14 5  20 o 22.610  0.5791 187.620   9.5975  190.651   13.675   184.676   13.473   22.776  0.8191 22.416  0.8200 0.3598080      1.159071  
1 1 1 14 5  21 o 18.717  0.5527 128.576   7.5824  132.043   10.950   125.383   10.510   18.953  0.7883 18.470  0.7763 0.4833298      1.106352  
1 1 1 14 5  22 o 29.553  0.9584 321.797   20.761  308.932   37.773   327.365   24.851   28.709  1.8043 29.775  1.1387 -1.066326      2.133569  
1 1 1 14 5  23 o 17.011  0.5452 106.253   6.7978  117.730   10.086   96.700    9.2018   17.888  0.7692 16.212  0.7744 1.676706       1.091524  
1 1 1 14 5  24 o 10.800  0.7369 43.104    5.7985  44.390    9.1202   42.232    7.5123   10.895  1.1599 10.657  0.9725 0.2386150      1.513616  
1 1 1 14 6  0  o 63.033  2.0824 1463.83   95.970  1626.30   129.714  1267.33   142.652  66.342  2.6775 58.364  3.3601 0.000000       0.000000  
1 1 1 14 6  1  o 66.133  1.3116 1605.46   63.576  1562.40   87.712   1653.13   92.280   65.189  1.8357 67.050  1.8777 -1.861130      2.625967  
1 1 1 14 6  2  o 18.546  0.4895 126.078   6.6539  121.488   9.1797   131.159   9.6586   18.203  0.6880 18.913  0.6967 -0.7105789     0.9791906 
1 1 1 14 6  3  o 84.880  1.6698 2647.79   103.883 2546.54   141.214  2767.20   153.362  83.134  2.3175 86.641  2.4150 -3.506950      3.347076  
1 1 1 14 6  4  o 63.891  1.2682 1498.52   59.390  1554.84   86.798   1448.94   81.439   65.023  1.8212 62.776  1.7699 2.247341       2.539593  
1 1 1 14 6  5  o 94.332  1.8646 3273.38   128.922 3301.21   164.274  3228.76   208.024  94.623  2.3686 93.398  3.0388 1.225616       3.852820  
1 1 1 14 6  6  o 60.970  1.5321 1366.01   68.469  1334.43   86.505   1418.97   112.029  60.210  1.9602 62.009  2.4649 -1.798958      3.149284  
1 1 1 14 6  7  o 44.600  1.1450 730.140   37.431  708.623   47.118   766.948   61.626   43.915  1.4638 45.652  1.8417 -1.736897      2.352574  
1 1 1 14 6  8  o 25.909  0.6835 246.154   12.980  245.025   18.022   247.370   18.709   25.842  0.9515 25.964  0.9831 -0.1223583     1.368176  
1 1 1 14 6  9  o 17.588  0.5159 113.415   6.6504  114.547   9.3741   112.268   9.4365   17.672  0.7237 17.495  0.7359 0.1769657      1.032101  
1 1 1 14 6  10 o 63.076  1.2609 1461.98   58.292  1494.88   84.067   1431.51   80.899   63.694  1.8007 62.334  1.7706 1.359211       2.525443  
1 1 1 14 6  11 o 25.413  0.5929 236.848   11.044  246.884   16.126   227.982   15.157   25.937  0.8482 24.925  0.8296 1.011929       1.186518  
1 1 1 14 6  12 o 9.0871  0.6069 30.422    4.0188  32.172    5.7560   28.758    5.6135   9.3232  0.8517 8.8069  0.8815 0.5163050      1.225715  
1 1 1 14 6  13 o 29.915  0.6668 328.341   14.620  344.648   21.607   314.568   19.857   30.630  0.9624 29.266  0.9257 1.364624       1.335335  
1 1 1 14 6  14 o 45.142  1.3089 750.331   43.307  765.482   87.004   745.340   49.931   45.200  2.6376 44.956  1.5153 0.2438354      3.041937  
1 1 1 14 6  15 o 49.625  1.0099 905.413   36.735  951.874   54.382   866.421   49.819   50.793  1.4607 48.473  1.4022 2.320843       2.024825  
1 1 1 14 6  16 o 31.314  0.9806 360.512   22.506  352.032   25.812   387.407   45.968   30.926  1.1387 32.252  1.9538 -1.325352      2.261370  
1 1 1 14 6  17 o 22.307  0.5653 182.571   9.2436  192.760   13.725   174.113   12.505   22.907  0.8174 21.773  0.7836 1.134062       1.132349  
1 1 1 14 6  18 o 15.833  0.5242 91.969    6.0833  88.093    8.6294   95.798    8.5770   15.487  0.7602 16.152  0.7245 -0.6646643     1.050136  
1 1 1 14 6  19 o 28.580  0.6531 299.847   13.680  304.292   19.606   295.631   19.096   28.765  0.9299 28.354  0.9189 0.4111481      1.307311  
1 1 1 14 6  20 o 37.559  0.8099 518.513   22.295  522.955   31.451   514.025   31.610   37.665  1.1392 37.339  1.1550 0.3259964      1.622284  
1 1 1 14 6  21 o 27.812  0.6529 284.116   13.309  281.094   18.826   287.136   18.817   27.631  0.9296 27.928  0.9192 -0.2967758     1.307307  
1 1 1 14 6  22 o 11.074  0.7374 45.294    5.9509  40.552    8.0520   51.002    8.8339   10.429  1.0685 11.712  1.0399 -1.283505      1.490953  
1 1 1 14 6  23 o 4.7714  1.1019 8.7478    3.7758  6.3946    5.2771   11.216    5.4047   4.2732  1.4312 5.3940  1.3657 -1.120797      1.978221  
1 1 1 14 6  24 o 12.472  0.7689 57.458    6.9945  59.119    9.7092   55.666    10.085   12.608  1.0605 12.217  1.1394 0.3903913      1.556548  
1 1 1 14 7  0  o 16.316  1.3383 99.609    15.757  0.0000    0.0000   99.609    15.757   16.316  1.3383 16.316  1.3383 0.000000       0.000000  
1 1 1 14 7  1  o 26.630  0.8437 260.086   16.468  292.037   25.267   236.490   21.714   28.206  1.2221 25.384  1.1670 2.822044       1.689866  
1 1 1 14 7  2  o 36.094  0.8695 477.822   23.004  457.720   31.401   501.106   33.795   35.312  1.2132 36.946  1.2480 -1.633995      1.740486  
1 1 1 14 7  3  o 18.169  0.4935 121.013   6.5717  133.915   9.8140   110.524   8.8484   19.110  0.7006 17.361  0.6953 1.748955       0.9871156 
1 1 1 14 7  4  o 36.271  0.7565 482.448   20.111  469.585   27.826   496.516   29.100   35.772  1.0613 36.783  1.0794 -1.010658      1.513695  
1 1 1 14 7  5  o 80.894  1.6102 2405.66   95.472  2338.43   117.412  2536.84   164.019  79.687  2.0102 82.838  2.7014 -3.151100      3.367249  
1 1 1 14 7  6  o 73.471  1.4642 1983.65   78.850  2013.11   101.623  1939.08   124.989  73.950  1.8749 72.484  2.3526 1.465561       3.008323  
1 1 1 14 7  7  o 44.289  0.9019 719.652   29.279  703.721   36.411   748.800   49.251   43.781  1.1347 45.133  1.4888 -1.351700      1.871903  
1 1 1 14 7  8  o 94.667  1.8673 3301.86   129.567 3463.19   191.717  3166.23   175.788  96.671  2.7057 92.475  2.5935 4.195869       3.747959  
1 1 1 14 7  9  o 49.859  1.0046 912.620   36.712  917.755   52.231   907.605   51.612   49.956  1.4265 49.680  1.4174 0.2759285      2.010908  
1 1 1 14 7  10 f 35.713  0.7522 467.917   19.689  492.741   29.144   447.077   26.704   36.626  1.0856 34.891  1.0442 1.735420       1.506296  
1 1 1 14 7  11 f 32.642  0.7104 390.918   16.996  430.972   26.099   361.423   22.397   34.252  1.0396 31.371  0.9740 2.880711       1.424595  
1 1 1 14 7  12 o 23.144  0.5645 196.453   9.5764  192.963   13.479   200.010   13.608   22.928  0.8021 23.343  0.7953 -0.4152184     1.129560  
1 1 1 14 7  13 o 37.764  0.9192 523.851   25.444  537.973   45.232   517.315   30.774   38.178  1.6164 37.507  1.1194 0.6710052      1.966196  
1 1 1 14 7  14 o 15.338  0.6034 86.308    6.7834  94.490    9.7147   78.523    9.4762   16.019  0.8302 14.593  0.8902 1.425853       1.217286  
1 1 1 14 7  15 o 23.343  0.5725 199.905   9.7942  198.903   13.846   200.908   13.856   23.271  0.8118 23.388  0.8083 -0.1171780     1.145546  
1 1 1 14 7  16 o 24.280  0.7804 216.500   13.888  220.243   18.041   211.055   21.759   24.471  1.0058 23.901  1.2464 0.5704288      1.601586  
1 1 1 14 7  17 o 22.651  0.5737 188.257   9.5254  195.879   13.901   181.510   13.078   23.090  0.8214 22.228  0.8027 0.8617363      1.148500  
1 1 1 14 7  18 o 57.046  1.1556 1198.96   48.317  1157.38   66.224   1246.30   70.654   55.907  1.6161 57.998  1.6620 -2.090752      2.318220  
1 1 1 14 7  19 o 32.570  0.7190 389.625   17.163  356.880   22.604   434.204   26.374   31.140  0.9904 34.340  1.0479 -3.199575      1.441818  
1 1 1 14 7  20 f 21.105  0.5696 163.500   8.8116  161.288   12.584   165.628   12.342   20.944  0.8198 21.226  0.7933 -0.2821121     1.140748  
1 1 1 14 7  21 o 25.256  0.6203 234.293   11.483  257.349   17.451   216.686   15.250   26.437  0.9006 24.264  0.8575 2.172960       1.243528  
1 1 1 14 7  22 o 26.613  0.6409 260.280   12.503  248.950   17.276   272.739   18.116   25.992  0.9068 27.205  0.9085 -1.213215      1.283648  
1 1 1 14 7  23 o 15.154  0.5546 84.351    6.1605  90.624    9.0062   78.834    8.4453   15.690  0.7831 14.612  0.7915 1.077975       1.113433  
1 1 1 14 8  0  o 5.4841  1.3611 12.869    4.7349  18.636    7.2051   8.4863    6.2818   6.5328  1.7415 3.9693  1.8900 0.000000       0.000000  
1 1 1 14 8  1  o 44.132  0.8928 714.446   28.879  756.480   42.973   679.829   38.998   45.387  1.2918 43.030  1.2365 2.357189       1.788168  
1 1 1 14 8  2  o 86.687  1.7180 2763.91   109.156 2673.40   148.691  2869.71   160.754  85.114  2.3834 88.156  2.4879 -3.042435      3.445338  
1 1 1 14 8  3  o 39.406  0.8072 569.547   23.313  568.135   32.890   570.972   33.051   39.341  1.1406 39.439  1.1433 -0.9796143E-01 1.614988  
1 1 1 14 8  4  o 17.481  0.4890 112.031   6.2655  102.447   8.5256   123.285   9.2386   16.714  0.6959 18.336  0.6874 -1.621386      0.9781973 
1 1 1 14 8  5  o 40.513  0.9578 602.258   28.441  593.650   39.797   611.244   40.661   40.197  1.3508 40.788  1.3601 -0.5906105     1.916860  
1 1 1 14 8  6  o 43.158  1.1187 683.888   35.389  691.678   46.436   673.094   54.660   43.375  1.4606 42.760  1.7440 0.6153641      2.274855  
1 1 1 14 8  7  o 21.935  0.6791 176.467   10.918  163.961   13.617   198.980   18.270   21.138  0.8789 23.280  1.0708 -2.141178      1.385262  
1 1 1 14 8  8  o 74.418  1.4827 2037.53   80.873  2280.91   126.636  1869.91   105.096  78.555  2.1994 71.175  2.0146 7.379921       2.982579  
1 1 1 14 8  9  f 35.360  0.7474 458.737   19.371  463.839   27.770   453.902   27.035   35.536  1.0662 35.154  1.0492 0.3814507      1.495856  
1 1 1 14 8  10 o 55.978  1.1321 1151.67   46.450  1104.59   63.773   1204.88   67.792   54.746  1.5893 57.172  1.6178 -2.425453      2.267813  
1 1 1 14 8  11 o 15.156  0.5473 84.246    6.0802  91.145    10.106   80.333    7.6119   15.730  0.8801 14.796  0.7019 0.9342308      1.125672  
1 1 1 14 8  12 o 5.1874  1.0091 10.229    3.6985  7.7224    5.2594   12.680    5.2021   4.5876  1.4193 5.7578  1.2670 -1.170202      1.902576  
1 1 1 14 8  13 o 61.376  1.4322 1389.10   64.428  1607.82   127.656  1314.34   74.630   65.542  2.6573 59.625  1.7077 5.916847       3.158710  
1 1 1 14 8  14 o 53.665  1.0960 1059.74   43.112  1082.40   62.726   1039.45   59.353   54.117  1.5814 53.048  1.5265 1.069252       2.197924  
1 1 1 14 8  15 o 29.145  0.6988 311.847   14.929  330.475   20.829   292.167   21.409   29.982  0.9478 28.182  1.0364 1.799959       1.404491  
1 1 1 14 8  16 o 25.612  0.7854 240.952   14.744  239.919   19.073   242.487   23.241   25.537  1.0190 25.649  1.2362 -0.1128521     1.602056  
1 1 1 14 8  17 o 28.463  0.6874 297.468   14.340  288.012   18.821   310.555   22.141   27.987  0.9175 29.048  1.0399 -1.060801      1.386827  
1 1 1 14 8  18 o 35.210  0.7652 455.466   19.748  446.068   27.497   465.478   28.379   34.803  1.0779 35.550  1.0891 -0.7473221     1.532325  
1 1 1 14 8  19 o 8.6841  0.6713 27.861    4.2400  27.580    6.0298   28.135    5.9631   8.6017  0.9735 8.6922  0.9515 -0.9049702E-01 1.361313  
1 1 1 14 8  20 o 17.987  0.5549 118.768   7.3151  124.209   10.629   113.871   10.083   18.379  0.7890 17.598  0.7817 0.7808895      1.110701  
1 1 1 14 8  21 f 12.744  0.6612 59.851    6.1555  70.347    11.645   55.781    7.2513   13.746  1.1668 12.285  0.8098 1.461449       1.420344  
1 1 1 14 8  22 o 26.521  0.6340 258.506   12.325  259.699   17.470   257.324   17.390   26.543  0.8979 26.422  0.8979 0.1216431      1.269886  
1 1 1 14 8  23 o 17.070  0.5500 107.022   6.8816  114.885   10.096   100.201   9.4045   17.666  0.7797 16.498  0.7777 1.167370       1.101272  
1 1 1 14 9  0  o 18.246  0.6911 122.570   9.2127  135.913   14.260   113.013   12.069   19.170  1.0216 17.478  0.9485 0.000000       0.000000  
1 1 1 14 9  1  o 104.036 2.0582 3990.24   156.948 4466.54   246.915  3667.34   203.304  109.673 3.0716 99.493  2.7879 10.18045       4.148129  
1 1 1 14 9  2  o 48.892  0.9831 877.253   35.231  876.661   49.920   877.839   49.729   48.841  1.3944 48.875  1.3882 -0.3342056E-01 1.967618  
1 1 1 14 9  3  o 51.308  1.0288 966.281   38.689  985.110   55.689   948.716   53.790   51.764  1.4678 50.801  1.4446 0.9626770      2.059428  
1 1 1 14 9  4  o 23.830  0.5561 208.209   9.7133  203.826   12.285   215.520   15.865   23.574  0.7110 24.235  0.8931 -0.6613388     1.141569  
1 1 1 14 9  5  o 70.909  1.4056 1848.72   73.057  1843.25   92.299   1857.90   119.542  70.735  1.7803 70.892  2.3006 -0.1570663     2.908975  
1 1 1 14 9  6  o 21.570  0.5347 170.599   8.4536  168.464   10.816   173.950   13.552   21.431  0.6885 21.773  0.8492 -0.3413792     1.093284  
1 1 1 14 9  7  o 91.388  1.9387 3082.93   129.861 3299.60   182.408  2860.26   184.919  94.256  2.6403 87.647  2.8785 6.608620       3.906008  
1 1 1 14 9  8  o 75.899  1.5026 2121.29   83.589  2215.22   123.305  2041.43   113.702  77.359  2.1746 74.292  2.0881 3.067741       3.014819  
1 1 1 14 9  9  o 31.019  0.6763 353.006   15.377  348.213   21.558   357.970   21.939   30.792  0.9552 31.220  0.9587 -0.4281616     1.353369  
1 1 1 14 9  10 o 7.4877  0.7058 20.756    3.8277  23.704    5.6364   18.233    5.2146   7.9721  0.9856 6.9655  1.0544 1.006608       1.443292  
1 1 1 14 9  11 o 60.141  1.2075 1331.12   53.227  1381.22   78.323   1288.13   72.555   61.123  1.7483 59.048  1.6764 2.074787       2.422146  
1 1 1 14 9  12 o 34.228  0.8385 430.282   21.035  418.941   35.557   436.389   26.091   33.703  1.4394 34.451  1.0332 -0.7475815     1.771817  
1 1 1 14 9  13 o 16.223  0.7056 96.621    8.3906  103.747   15.801   93.822    9.9020   16.727  1.2990 15.958  0.8496 0.7691965      1.552193  
1 1 1 14 9  14 o 28.019  0.8210 288.411   16.861  269.968   26.053   301.703   22.118   27.057  1.3137 28.635  1.0538 -1.577734      1.684147  
1 1 1 14 9  15 o 13.274  0.6230 64.670    6.0613  55.645    8.0879   76.234    9.1550   12.270  0.9057 14.376  0.8730 -2.105798      1.257951  
1 1 1 14 9  16 f 23.317  0.6922 199.634   11.831  200.095   14.602   198.754   20.184   23.332  0.8539 23.192  1.1914 0.1402931      1.465766  
1 1 1 14 9  17 o 54.998  1.1953 1115.26   48.185  1139.91   65.293   1085.79   71.403   55.468  1.6060 54.059  1.8020 1.408600       2.413842  
1 1 1 14 9  18 o 34.512  0.7490 437.653   18.947  440.082   27.078   435.324   26.521   34.561  1.0689 34.377  1.0526 0.1845856      1.500152  
1 1 1 14 9  19 o 21.926  0.5866 176.507   9.4280  190.562   14.266   165.608   12.562   22.760  0.8552 21.222  0.8076 1.538109       1.176242  
1 1 1 14 9  20 o 31.744  0.7116 370.472   16.558  360.275   22.935   381.571   23.928   31.257  1.0011 32.164  1.0150 -0.9077168     1.425635  
1 1 1 14 9  21 o 6.4191  1.2177 15.751    5.5198  18.003    8.6167   14.184    7.1884   6.8078  1.7248 6.0583  1.5964 0.7495179      2.350209  
1 1 1 14 9  22 o 23.326  0.5992 199.949   10.245  185.350   13.854   217.568   15.220   22.428  0.8428 24.297  0.8546 -1.869341      1.200267  
1 1 1 14 10 0  o 37.706  1.1029 522.922   30.421  507.853   42.071   539.435   44.041   37.091  1.5537 38.228  1.5779 0.000000       0.000000  
1 1 1 14 10 1  o 52.487  1.1290 1011.82   43.432  977.276   55.697   1065.42   69.377   51.544  1.4743 53.775  1.7602 -2.231609      2.296006  
1 1 1 14 10 2  o 32.950  0.6932 398.230   16.742  391.056   23.280   405.915   24.094   32.639  0.9731 33.252  0.9886 -0.6134338     1.387195  
1 1 1 14 10 3  o 24.866  0.5662 226.736   10.319  234.885   15.036   219.479   14.189   25.301  0.8108 24.458  0.7915 0.8431358      1.133058  
1 1 1 14 10 4  o 64.922  1.2934 1549.51   61.544  1550.56   78.071   1547.77   100.028  64.882  1.6417 64.717  2.1087 0.1645813      2.672422  
1 1 1 14 10 5  o 44.065  0.8956 712.757   28.926  716.688   36.864   706.458   46.660   44.165  1.1388 43.813  1.4530 0.3520164      1.846080  
1 1 1 14 10 6  o 37.393  0.7759 513.098   21.266  525.176   27.621   495.514   33.327   37.815  0.9965 36.710  1.2386 1.104794       1.589713  
1 1 1 14 10 7  o 64.553  1.2917 1533.09   61.115  1634.16   91.372   1451.27   82.211   66.505  1.8745 62.696  1.7890 3.809231       2.591174  
1 1 1 14 10 8  o 36.862  0.7732 498.732   20.889  481.696   28.521   518.443   30.680   36.201  1.0749 37.552  1.1147 -1.351311      1.548509  
1 1 1 14 10 9  o 28.980  0.6497 308.158   13.800  297.879   18.979   319.690   20.102   28.477  0.9093 29.499  0.9297 -1.022598      1.300442  
1 1 1 14 10 10 o 48.833  0.9918 876.490   35.500  835.148   48.071   926.077   52.648   47.602  1.3778 50.115  1.4333 -2.512829      1.988109  
1 1 1 14 10 11 o 58.195  1.1723 1246.60   50.005  1233.93   70.248   1259.61   71.198   57.771  1.6590 58.368  1.6642 -0.5966072     2.349851  
1 1 1 14 10 12 o 38.287  0.8672 538.673   24.338  618.265   42.256   499.164   29.771   40.929  1.4086 36.826  1.1030 4.102764       1.789033  
1 1 1 14 10 13 o 15.477  0.6329 87.921    7.1798  82.582    10.246   93.072    10.064   14.958  0.9393 15.891  0.8673 -0.9329596     1.278539  
1 1 1 14 10 14 o 6.2368  0.8295 14.543    3.6977  18.473    5.3574   10.968    5.1101   7.0036  1.0782 5.3475  1.3133 1.656116       1.699224  
1 1 1 14 10 15 o 63.819  1.2819 1502.71   59.963  1461.36   82.916   1548.05   86.820   62.729  1.8034 64.547  1.8351 -1.818569      2.572903  
1 1 1 14 10 16 o 17.105  0.6309 107.413   7.9093  110.349   9.8740   102.158   13.212   17.329  0.7774 16.618  1.0908 0.7118988      1.339453  
1 1 1 14 10 17 o 30.826  0.7947 349.265   17.956  333.890   25.157   365.234   25.638   30.093  1.1405 31.479  1.1112 -1.385603      1.592349  
1 1 1 14 10 18 o 36.374  0.7825 486.407   20.860  473.190   29.029   500.520   29.997   35.819  1.1057 36.838  1.1109 -1.018791      1.567414  
1 1 1 14 10 19 o 13.874  0.5531 70.677    5.6245  71.237    8.1605   70.170    7.7628   13.892  0.8049 13.791  0.7711 0.1006575      1.114635  
1 1 1 14 10 20 o 6.3420  0.9053 15.119    4.0887  6.3267    5.8763   23.371    5.6928   4.3437  1.5089 7.8953  1.0066 -3.551538      1.813834  
1 1 1 14 10 21 o 13.791  0.6887 69.961    6.9621  70.457    9.9476   69.484    9.7473   13.778  0.9916 13.685  0.9782 0.9362125E-01  1.392942  
1 1 1 14 10 22 o 18.103  0.6372 120.481   8.4549  115.323   13.730   123.631   10.731   17.629  1.0677 18.321  0.7991 -0.6923599     1.333590  
1 1 1 14 11 0  o 27.587  0.8619 279.944   17.389  258.034   23.164   308.235   26.322   26.433  1.2013 28.897  1.2480 0.000000       0.000000  
1 1 1 14 11 1  o 29.913  0.6484 328.212   14.217  296.579   18.442   374.546   22.320   28.424  0.8852 31.938  0.9535 -3.514103      1.301035  
1 1 1 14 11 2  o 11.243  0.4849 46.345    3.9958  44.744    5.6900   47.903    5.6125   11.021  0.7082 11.407  0.6742 -0.3866320     0.9778001 
1 1 1 14 11 3  f 41.495  0.8509 632.056   25.881  611.315   31.893   672.052   44.288   40.790  1.0668 42.727  1.4142 -1.937096      1.771410  
1 1 1 14 11 4  o 32.911  0.6968 397.387   16.809  385.031   20.812   420.570   28.508   32.384  0.8768 33.824  1.1499 -1.439697      1.446023  
1 1 1 14 11 5  o 18.614  0.5021 127.063   6.8501  131.698   9.1580   121.175   10.321   18.947  0.6595 18.170  0.7750 0.7763367      1.017573  
1 1 1 14 11 6  o 37.390  0.7802 513.160   21.382  506.726   26.919   524.161   35.197   37.137  0.9890 37.738  1.2724 -0.6016273     1.611580  
1 1 1 14 11 7  o 58.647  1.1774 1265.47   50.611  1287.91   72.679   1244.35   70.518   59.045  1.6794 58.044  1.6575 1.001160       2.359596  
1 1 1 14 11 8  o 17.367  0.5060 110.622   6.4415  106.165   9.1197   115.059   9.0998   17.006  0.7316 17.706  0.7012 -0.6992149     1.013382  
1 1 1 14 11 9  o 41.106  0.8481 620.640   25.553  636.398   37.090   606.403   35.254   41.575  1.2172 40.588  1.1850 0.9866600      1.698752  
1 1 1 14 11 10 o 13.970  0.5023 71.580    5.1427  72.859    7.5416   70.469    7.0310   14.068  0.7339 13.855  0.6923 0.2124920      1.008971  
1 1 1 14 11 11 o 21.424  0.5475 168.400   8.5971  175.211   12.592   162.454   11.766   21.840  0.7866 21.031  0.7633 0.8086834      1.096079  
1 1 1 14 11 12 o 8.5902  0.7490 27.307    4.6688  32.393    8.6227   25.197    5.5533   9.2822  1.3033 8.2250  0.9379 1.057165       1.605730  
1 1 1 14 11 13 o 38.024  0.8641 531.463   24.081  573.350   33.926   488.928   34.188   39.444  1.1735 36.405  1.2812 3.038818       1.737396  
1 1 1 14 11 14 o 30.038  0.6654 331.305   14.650  327.672   20.582   335.035   20.858   29.845  0.9409 30.178  0.9430 -0.3332291     1.332091  
1 1 1 14 11 15 o 14.743  0.5152 79.750    5.5670  91.221    8.4198   70.840    7.4203   15.758  0.7290 13.867  0.7327 1.890904       1.033540  
1 1 1 14 11 16 o 33.427  0.8461 410.889   20.731  420.214   25.924   394.347   34.527   33.774  1.0472 32.642  1.4431 1.131981       1.783061  
1 1 1 14 11 17 o 44.812  1.0834 740.464   35.583  662.703   45.912   857.440   56.311   42.281  1.4815 48.049  1.5989 -5.767563      2.179762  
1 1 1 14 11 18 o 29.051  0.6622 310.106   14.100  307.893   19.994   312.295   19.887   28.908  0.9436 29.116  0.9319 -0.2078152     1.326201  
1 1 1 14 11 19 o 32.295  0.7206 383.612   17.058  378.372   23.947   389.010   24.305   32.015  1.0205 32.462  1.0215 -0.4466896     1.443920  
1 1 1 14 11 20 o 24.748  0.6629 225.224   12.025  224.398   18.679   225.809   15.714   24.643  1.0341 24.750  0.8662 -0.1078377     1.349006  
1 1 1 14 11 21 o 8.7051  0.7067 28.068    4.4700  23.444    6.4486   32.345    6.2018   7.8749  1.1512 9.3175  0.9201 -1.442652      1.473748  
1 1 1 14 12 0  o 64.085  1.8058 1515.16   84.668  1583.88   124.732  1456.44   115.301  65.292  2.6159 62.628  2.5211 0.000000       0.000000  
1 1 1 14 12 1  o 4.6595  0.9897 8.2809    3.2759  9.7834    4.7298   6.8957    4.5416   5.0582  1.2759 4.3214  1.3157 0.7368112      1.832773  
1 1 1 14 12 2  f 29.885  0.6432 327.681   14.088  329.525   20.030   325.876   19.820   29.952  0.9124 29.786  0.9078 0.1659603      1.287061  
1 1 1 14 12 3  o 7.2023  0.6398 19.182    3.3425  20.642    4.5090   17.402    4.9801   7.4506  0.8403 6.8046  1.0308 0.6460047      1.329922  
1 1 1 14 12 4  o 18.790  0.4905 129.480   6.7554  130.677   8.7977   127.761   10.545   18.872  0.6360 18.655  0.7712 0.2169437      0.9996509 
1 1 1 14 12 5  o 29.885  0.6474 327.721   14.180  330.286   18.150   323.703   22.717   29.989  0.8257 29.671  1.0446 0.3188515      1.331505  
1 1 1 14 12 6  o 88.536  1.7640 2901.19   114.472 2958.81   148.198  2815.94   180.242  89.125  2.2686 86.551  2.8412 2.574539       3.635807  
1 1 1 14 12 7  o 45.107  0.9263 747.748   30.624  689.916   40.170   827.999   47.320   43.275  1.2664 47.389  1.3623 -4.113831      1.860058  
1 1 1 14 12 8  o 35.578  0.7515 464.789   19.597  475.017   28.387   455.475   27.089   35.930  1.0779 35.186  1.0503 0.7432632      1.505022  
1 1 1 14 12 9  o 8.0235  0.6614 23.792    3.8547  27.169    5.6916   20.930    5.2392   8.5470  0.9232 7.4806  0.9790 1.066389       1.345666  
1 1 1 14 12 10 o 28.567  0.6359 299.550   13.314  309.969   19.440   290.347   18.271   29.035  0.9135 28.103  0.8870 0.9313641      1.273290  
1 1 1 14 12 11 o 14.483  0.5489 76.970    5.8273  86.397    8.0591   66.641    8.4360   15.338  0.7169 13.437  0.8611 1.900870       1.120428  
1 1 1 14 12 12 o 46.059  1.3454 783.455   45.421  932.511   104.511  748.746   50.433   49.492  2.8936 44.976  1.5298 4.515156       3.273162  
1 1 1 14 12 13 o 23.857  0.5762 208.888   10.075  204.431   14.114   213.518   14.386   23.583  0.8165 24.102  0.8143 -0.5186157     1.153172  
1 1 1 14 12 14 o 37.511  0.7943 517.211   21.839  531.789   31.663   503.983   30.162   37.977  1.1375 36.976  1.1129 1.001404       1.591356  
1 1 1 14 12 15 o 14.033  0.5158 72.265    5.3049  74.816    7.7473   70.012    7.2791   14.249  0.7444 13.785  0.7229 0.4640751      1.037653  
1 1 1 14 12 16 o 22.667  0.6783 188.759   11.270  185.332   13.689   195.969   19.855   22.446  0.8320 23.008  1.1814 -0.5618763     1.444956  
1 1 1 14 12 17 o 24.257  0.6876 216.268   12.226  216.599   18.008   215.985   16.653   24.235  1.0138 24.211  0.9384 0.2355194E-01  1.381395  
1 1 1 14 12 18 o 20.815  0.5633 159.144   8.5936  152.983   12.086   165.443   12.221   20.384  0.8089 21.200  0.7865 -0.8165188     1.128251  
1 1 1 14 12 19 o 22.217  0.5832 181.382   9.4967  186.825   13.903   176.620   13.003   22.515  0.8425 21.896  0.8102 0.6188889      1.168853  
1 1 1 14 12 20 o 17.945  0.7765 118.631   10.213  131.459   18.663   113.146   12.203   18.741  1.3681 17.476  0.9563 1.264328       1.669193  
1 1 1 14 13 0  o 26.930  0.8427 266.868   16.597  268.120   23.669   265.657   23.280   26.936  1.2043 26.814  1.1899 0.000000       0.000000  
1 1 1 14 13 1  o 19.931  0.4996 145.703   7.2991  148.754   10.495   142.846   10.158   20.130  0.7113 19.727  0.7025 0.4034271      0.9997650 
1 1 1 14 13 2  o 47.813  0.9749 840.484   34.167  891.893   45.689   775.256   51.464   49.200  1.2669 45.814  1.5326 3.386375       1.988460  
1 1 1 14 13 3  o 32.536  0.6916 388.576   16.494  392.465   21.191   382.601   26.270   32.681  0.8846 32.243  1.1116 0.4380150      1.420640  
1 1 1 14 13 4  o 7.5488  0.6241 21.054    3.4221  19.864    4.6751   22.428    5.0227   7.2983  0.8926 7.7606  0.8997 -0.4622831     1.267317  
1 1 1 14 13 5  o 21.845  0.5277 175.051   8.4486  172.249   10.742   179.595   13.680   21.662  0.6766 22.109  0.8442 -0.4471130     1.081833  
1 1 1 14 13 6  o 53.532  1.0796 1054.76   42.361  1039.05   53.033   1082.44   70.409   53.064  1.3635 54.030  1.7779 -0.9668236     2.240568  
1 1 1 14 13 7  f 39.262  0.8164 566.415   23.494  559.344   32.900   573.773   33.560   38.965  1.1520 39.463  1.1603 -0.4978638     1.635025  
1 1 1 14 13 8  o 35.137  0.7450 453.506   19.187  464.971   27.670   442.888   26.629   35.537  1.0623 34.685  1.0475 0.8519058      1.491891  
1 1 1 14 13 9  o 33.955  0.7289 423.488   18.140  447.099   27.195   404.562   24.348   34.845  1.0648 33.155  1.0019 1.689877       1.462072  
1 1 1 14 13 10 o 24.449  0.5740 219.388   10.286  214.934   14.453   223.959   14.642   24.182  0.8154 24.685  0.8093 -0.5030193     1.148816  
1 1 1 14 13 11 o 13.918  0.5490 71.085    5.6007  83.851    9.5787   64.453    6.9038   15.075  0.8706 13.227  0.7148 1.848253       1.126420  
1 1 1 14 13 12 o 6.5281  1.0095 16.057    4.6744  26.546    6.6545   5.8413    6.5675   8.4156  1.1056 4.3723  1.5872 4.043280       1.934337  
1 1 1 14 13 13 o 14.094  0.5116 72.894    5.2852  87.410    8.1569   62.390    6.9387   15.424  0.7215 13.010  0.7306 2.413932       1.026827  
1 1 1 14 13 14 o 6.7828  0.7781 17.134    3.7981  14.295    5.5021   19.718    5.2496   6.1085  1.2703 7.2460  1.0164 -1.137524      1.626862  
1 1 1 14 13 15 o 44.421  0.9187 726.635   29.912  732.049   42.682   721.410   41.931   44.476  1.3093 44.157  1.2956 0.3199234      1.841925  
1 1 1 14 13 16 o 41.607  1.0181 638.638   31.050  602.233   36.054   743.161   61.091   40.347  1.2192 44.537  1.8715 -4.189995      2.233547  
1 1 1 14 13 17 o 11.349  0.6678 47.518    5.5303  53.918    9.2020   43.900    6.9192   12.035  1.0538 10.879  0.8751 1.155747       1.369758  
1 1 1 14 13 18 o 33.955  0.7463 424.461   18.573  417.453   25.994   431.770   26.547   33.596  1.0556 34.166  1.0601 -0.5699005     1.496001  
1 1 1 14 13 19 o 7.2607  0.7929 19.656    4.1510  17.425    6.0174   21.682    5.7338   6.7417  1.2642 7.5823  1.0607 -0.8406391     1.650267  
1 1 1 14 13 20 o 7.6297  0.9789 21.860    5.3478  30.038    7.8217   14.682    7.3283   8.9125  1.2301 6.1464  1.6081 2.766102       2.024685  
1 1 1 14 14 0  o 26.111  0.8320 250.959   15.886  237.798   21.703   266.151   23.317   25.358  1.1734 26.833  1.1909 0.000000       0.000000  
1 1 1 14 14 1  o 17.933  0.5170 117.977   6.7957  112.082   8.8093   126.641   10.680   17.472  0.6879 18.567  0.7848 -1.094990      1.043567  
1 1 1 14 14 2  o 30.553  0.6574 342.701   14.722  359.577   19.458   320.103   22.516   31.279  0.8487 29.491  1.0417 1.788088       1.343639  
1 1 1 14 14 3  o 25.801  0.5823 244.300   11.012  241.747   14.021   248.411   17.789   25.654  0.7456 25.989  0.9339 -0.3344955     1.195028  
1 1 1 14 14 4  o 23.089  0.5480 195.616   9.2732  189.922   11.720   205.145   15.163   22.741  0.7032 23.621  0.8758 -0.8802776     1.123151  
1 1 1 14 14 5  o 38.374  0.7950 541.136   22.361  555.898   29.111   519.893   34.922   38.859  1.0221 37.534  1.2694 1.325249       1.629723  
1 1 1 14 14 6  o 27.299  0.6128 273.575   12.262  276.280   15.837   269.527   19.376   27.419  0.7880 27.062  0.9768 0.3569565      1.255059  
1 1 1 14 14 7  f 7.6352  0.6575 21.563    3.6437  28.939    5.5863   16.102    4.8070   8.8283  0.8748 6.5332  1.0386 2.295039       1.357953  
1 1 1 14 14 8  o 23.031  0.5583 194.661   9.4242  203.166   14.037   187.682   12.716   23.509  0.8146 22.600  0.7677 0.9097347      1.119352  
1 1 1 14 14 9  o 32.398  0.6993 385.570   16.606  374.982   23.136   396.821   23.849   31.913  0.9891 32.829  0.9911 -0.9158516     1.400212  
1 1 1 14 14 10 o 23.926  0.5725 210.132   10.040  207.441   14.178   212.840   14.220   23.753  0.8144 24.061  0.8063 -0.3078842     1.146050  
1 1 1 14 14 11 o 40.287  1.0565 598.207   31.198  707.356   79.881   578.561   33.890   43.162  2.5362 39.595  1.1677 3.566662       2.792103  
1 1 1 14 14 12 o 25.398  0.6441 236.916   11.991  237.690   15.930   235.905   18.214   25.418  0.8551 25.307  0.9819 0.1111736      1.302053  
1 1 1 14 14 13 o 34.925  0.7513 448.443   19.232  436.608   26.757   461.094   27.663   34.407  1.0610 35.357  1.0674 -0.9502678     1.505022  
1 1 1 14 14 14 o 6.8038  0.7905 17.257    3.8688  20.709    5.5287   13.945    5.4157   7.4210  1.0454 6.0282  1.2660 1.392796       1.641828  
1 1 1 14 14 15 o 27.607  0.6386 280.091   12.923  304.386   19.755   261.917   17.086   28.733  0.9380 26.664  0.8742 2.069239       1.282246  
1 1 1 14 14 16 o 42.537  0.9511 667.807   29.653  681.519   40.009   651.094   44.172   42.853  1.2738 41.812  1.4413 1.040771       1.923529  
1 1 1 14 14 17 o 12.760  0.7430 60.156    6.9191  50.011    9.1438   73.746    10.583   11.572  1.0909 14.084  1.0324 -2.511333      1.501974  
1 1 1 14 14 18 o 13.227  0.5803 64.322    5.6260  67.757    8.0945   61.112    7.8249   13.530  0.8201 12.845  0.8357 0.6856871      1.170874  
1 1 1 14 14 19 o 2.8156  1.1932 0.1791    4.2665  -2.7600   7.0987   1.8412    5.3383   3.2628  1.4567 3.3960  1.3768 -0.1332283     2.004365  
1 1 1 14 15 0  o 19.129  0.7002 134.796   9.7872  138.432   14.423   131.692   13.325   19.331  1.0245 18.862  0.9697 0.000000       0.000000  
1 1 1 14 15 1  o 21.041  0.5168 162.455   7.9705  160.096   10.161   166.227   12.851   20.880  0.6639 21.264  0.8245 -0.3842239     1.058632  
1 1 1 14 15 2  o 17.201  0.5121 108.570   6.4570  115.267   9.1290   101.865   9.1343   17.714  0.7031 16.650  0.7485 1.064123       1.026913  
1 1 1 14 15 3  o 25.771  0.5819 243.793   10.992  229.272   13.395   273.731   19.233   24.981  0.7316 27.271  0.9622 -2.289841      1.208736  
1 1 1 14 15 4  o 12.314  0.4832 55.631    4.3609  52.497    5.8078   59.682    6.6029   11.937  0.6664 12.726  0.7107 -0.7889643     0.9742917 
1 1 1 14 15 5  o 41.321  0.8500 627.910   25.742  617.817   32.263   645.591   42.702   40.944  1.0751 41.776  1.3946 -0.8310928     1.760849  
1 1 1 14 15 6  o 47.233  0.9606 821.316   33.257  792.906   40.885   876.882   57.178   46.350  1.2035 48.609  1.6048 -2.259495      2.005939  
1 1 1 14 15 7  o 21.879  0.5378 175.682   8.6244  181.829   12.658   170.356   11.783   22.240  0.7765 21.530  0.7467 0.7105961      1.077229  
1 1 1 14 15 8  o 18.736  0.5120 128.820   7.0310  123.537   9.9488   134.090   9.9378   18.334  0.7403 19.103  0.7097 -0.7692127     1.025599  
1 1 1 14 15 9  o 26.229  0.6080 252.630   11.689  234.256   15.895   274.270   17.250   25.233  0.8594 27.302  0.8620 -2.069780      1.217241  
1 1 1 14 15 10 o 20.287  0.5336 151.066   7.9351  146.563   11.280   155.478   11.165   19.965  0.7708 20.566  0.7407 -0.6007805     1.068982  
1 1 1 14 15 11 f 3.4731  1.3187 3.1563    4.6294  9.1744    7.7929   -0.1257   5.7550   5.1372  1.7391 3.2229  1.3765 1.914241       2.217896  
1 1 1 14 15 12 o 39.963  0.8978 588.201   26.297  604.668   41.719   577.345   33.874   40.371  1.4099 39.524  1.1693 0.8474426      1.831694  
1 1 1 14 15 13 o 52.251  1.0623 1008.07   40.683  995.438   57.019   1021.17   58.065   51.729  1.5039 52.389  1.5121 -0.6600723     2.132639  
1 1 1 14 15 14 o 32.680  0.7220 392.942   17.295  402.591   24.992   384.076   23.957   33.012  1.0329 32.248  1.0136 0.7632713      1.447127  
1 1 1 14 15 15 o 22.204  0.5642 181.170   9.1823  177.356   12.907   185.080   13.066   21.939  0.8026 22.413  0.7954 -0.4737015     1.129972  
1 1 1 14 15 16 o 6.7309  0.8507 16.975    4.1030  10.446    5.5606   24.777    6.0790   5.2061  1.4186 8.1164  1.0462 -2.910338      1.762642  
1 1 1 14 15 17 o 18.077  0.7207 120.383   9.5495  128.286   13.479   112.419   13.531   18.593  0.9927 17.384  1.0671 1.208395       1.457438  
1 1 1 14 15 18 o 23.613  0.6303 205.155   10.908  190.643   14.039   227.266   17.329   22.728  0.8427 24.791  0.9537 -2.062836      1.272680  
1 1 1 14 16 0  o 19.497  0.7116 140.053   10.139  129.254   18.592   144.624   12.096   18.582  1.3827 19.794  0.8371 0.000000       0.000000  
1 1 1 14 16 1  o 3.7951  1.0382 5.4763    2.9714  6.4219    4.0637   4.3898    4.3558   4.1476  1.2405 3.6825  1.2978 0.4650159      1.795329  
1 1 1 14 16 2  o 10.091  0.5153 37.471    3.7985  40.264    5.1477   34.132    5.6283   10.447  0.6759 9.6004  0.8073 0.8470316      1.052897  
1 1 1 14 16 3  o 18.888  0.4958 130.911   6.8639  123.188   8.6284   144.220   11.327   18.314  0.6428 19.805  0.7803 -1.491375      1.010975  
1 1 1 14 16 4  o 23.230  0.5477 198.080   9.3256  193.393   11.843   205.731   15.130   22.941  0.7043 23.644  0.8730 -0.7034988     1.121711  
1 1 1 14 16 5  o 29.005  0.6358 308.993   13.516  314.330   17.573   301.264   21.148   29.232  0.8202 28.591  1.0091 0.6410942      1.300381  
1 1 1 14 16 6  o 19.221  0.5098 135.588   7.1827  128.231   10.042   143.293   10.278   18.677  0.7336 19.746  0.7101 -1.068382      1.020972  
1 1 1 14 16 7  o 44.242  0.9097 720.782   29.501  718.158   41.866   723.370   41.577   44.054  1.2966 44.218  1.2828 -0.1640816     1.823949  
1 1 1 14 16 8  o 14.849  0.4990 80.923    5.4313  78.374    7.8491   83.264    7.5233   14.582  0.7368 15.052  0.6819 -0.4703999     1.003892  
1 1 1 14 16 9  o 8.7831  0.6120 28.473    3.9152  26.758    5.7073   29.996    5.3809   8.4717  0.9347 8.9910  0.8257 -0.5192766     1.247208  
1 1 1 14 16 10 o 49.354  1.0890 899.522   39.393  945.635   63.372   870.484   50.290   50.318  1.7183 48.423  1.4169 1.895145       2.227165  
1 1 1 14 16 11 o 26.864  0.7679 265.548   15.120  266.321   23.195   264.976   19.939   26.829  1.1795 26.794  1.0153 0.3477669E-01  1.556319  
1 1 1 14 16 12 o 36.156  0.7733 481.245   20.493  467.386   28.567   495.940   29.415   35.552  1.0963 36.622  1.0959 -1.070004      1.550084  
1 1 1 14 16 13 o 14.997  0.5220 82.610    5.7382  87.478    8.3603   78.275    7.8902   15.414  0.7400 14.562  0.7417 0.8520765      1.047714  
1 1 1 14 16 14 o 7.4223  0.7425 20.492    3.9853  21.578    5.8977   19.580    5.4063   7.5553  1.0971 7.1982  1.0561 0.3571362      1.522803  
1 1 1 14 16 15 o 17.088  0.5419 107.327   6.7871  109.803   9.9297   105.156   9.2984   17.256  0.7851 16.892  0.7510 0.3647346      1.086440  
1 1 1 14 16 16 f 12.614  0.8168 58.963    7.5107  65.269    9.7519   49.769    11.775   13.236  1.0129 11.445  1.4353 1.790548       1.756692  
1 1 1 14 16 17 o 5.5372  1.3858 11.906    5.6110  10.694    7.2964   13.661    8.7778   5.3390  1.6750 5.9809  1.8308 -0.6419272     2.481459  
1 1 1 14 17 0  o 24.494  0.7990 221.000   14.311  224.614   28.389   219.769   16.570   24.510  1.5958 24.404  0.9295 0.000000       0.000000  
1 1 1 14 17 1  o 15.727  0.4800 90.774    5.5336  87.862    7.6832   93.913    7.9764   15.462  0.6779 15.986  0.6808 -0.5234118     0.9607547 
1 1 1 14 17 2  o 27.409  0.6085 275.943   12.224  277.545   15.707   273.482   19.465   27.468  0.7801 27.238  0.9750 0.2301483      1.248693  
1 1 1 14 17 3  o 4.6628  0.9442 8.2987    3.1162  4.9784    4.3302   11.865    4.4880   3.8135  1.2963 5.5682  1.1381 -1.754673      1.725021  
1 1 1 14 17 4  o 17.244  0.4854 109.135   6.1346  108.351   8.0260   110.235   9.5139   17.173  0.6376 17.313  0.7497 -0.1403065     0.9842097 
1 1 1 14 17 5  o 25.172  0.5839 232.709   10.773  241.570   14.312   221.123   16.364   25.627  0.7619 24.500  0.9113 1.127773       1.187835  
1 1 1 14 17 6  o 15.561  0.4957 88.881    5.6540  91.654    8.3599   86.543    7.6758   15.788  0.7224 15.344  0.6825 0.4437656      0.9938326 
1 1 1 14 17 7  o 21.619  0.5453 171.625   8.6411  165.591   12.040   178.035   12.409   21.214  0.7743 21.997  0.7696 -0.7832069     1.091753  
1 1 1 14 17 8  o 27.011  0.6159 268.091   12.194  266.287   17.338   269.857   17.153   26.883  0.8799 27.065  0.8647 -0.1821270     1.233666  
1 1 1 14 17 9  o 40.086  0.8395 591.950   24.665  550.257   32.797   646.235   37.423   38.557  1.1605 41.762  1.2226 -3.204922      1.685665  
1 1 1 14 17 10 o 9.6351  0.8303 34.457    5.8063  37.442    10.416   33.112    6.9937   9.9196  1.4777 9.4109  1.0308 0.5087233      1.801668  
1 1 1 14 17 11 o 17.119  0.5315 107.669   6.6695  100.169   9.2975   115.619   9.5727   16.490  0.7693 17.720  0.7371 -1.229900      1.065371  
1 1 1 14 17 12 o 3.8319  1.3549 4.7963    4.7512  18.163    6.8909   -7.3162   6.5598   6.8528  1.4186 2.6921  1.2708 4.160687       1.904605  
1 1 1 14 17 13 o 17.458  0.6001 112.116   7.6794  124.256   10.305   96.956    11.516   18.358  0.7659 16.157  0.9770 2.200609       1.241404  
1 1 1 14 17 14 o 6.6303  0.8304 16.480    3.9472  18.235    5.6533   14.811    5.5138   6.9140  1.1564 6.1963  1.2570 0.7177601      1.708035  
1 1 1 14 17 15 o 26.283  0.6300 254.310   12.137  242.250   16.826   267.392   17.524   25.594  0.8969 26.891  0.8891 -1.297489      1.262939  
1 1 1 14 18 0  o 3.8488  1.5750 7.6330    4.3797  -3.7661   8.3304   11.988    5.1488   2.4078  1.6248 5.1085  1.5721 0.000000       0.000000  
1 1 1 14 18 1  o 25.447  0.5794 237.871   10.807  226.980   14.821   250.239   15.793   24.828  0.8144 26.068  0.8266 -1.239265      1.160384  
1 1 1 14 18 2  o 13.679  0.4825 68.693    4.8375  78.113    6.6893   58.366    7.0040   14.579  0.6260 12.571  0.7638 2.008220       0.9875371 
1 1 1 14 18 3  o 40.151  0.8328 593.791   24.510  567.558   29.888   647.659   42.828   39.199  1.0402 41.742  1.3998 -2.542957      1.744017  
1 1 1 14 18 4  o 7.8388  0.6263 22.728    3.5682  20.793    5.0198   24.704    5.0729   7.4501  0.9402 8.1427  0.8631 -0.6926765     1.276330  
1 1 1 14 18 5  o 22.204  0.5883 181.158   9.5751  187.315   11.883   169.762   16.167   22.564  0.7185 21.436  1.0290 1.127272       1.255036  
1 1 1 14 18 6  o 21.656  0.5458 172.270   8.6635  186.285   13.212   161.698   11.475   22.489  0.8016 20.959  0.7470 1.529617       1.095639  
1 1 1 14 18 7  o 9.5168  0.6718 33.479    4.6560  38.530    6.3085   27.436    6.9003   10.188  0.8526 8.5356  1.1308 1.652416       1.416210  
1 1 1 14 18 8  o 25.307  0.7678 235.941   14.242  247.235   19.152   221.971   21.300   25.856  1.0106 24.458  1.1882 1.398714       1.559813  
1 1 1 14 18 9  f 10.941  0.6159 44.170    4.9192  37.495    7.7941   48.590    6.3419   10.003  1.0803 11.458  0.7595 -1.455443      1.320498  
1 1 1 14 18 10 o 17.459  0.6464 112.185   8.2717  92.966    11.249   134.806   12.205   15.821  0.9749 19.105  0.8716 -3.283838      1.307671  
1 1 1 14 18 11 o 27.098  0.6336 270.298   12.584  263.366   17.663   277.447   17.935   26.689  0.9029 27.395  0.8932 -0.7067699     1.270046  
1 1 1 14 18 12 o 8.7714  0.6586 28.495    4.2034  26.844    6.0236   30.061    5.8686   8.4551  0.9908 8.9703  0.9049 -0.5152769     1.341831  
1 1 1 14 18 13 o 19.288  0.5511 136.842   7.7915  156.986   12.178   122.882   10.138   20.616  0.8059 18.248  0.7580 2.368107       1.106369  
1 1 1 14 18 14 o 19.148  0.5512 134.851   7.7357  126.969   10.673   143.573   11.227   18.545  0.7852 19.722  0.7767 -1.176874      1.104452  
1 1 1 14 19 0  o 1.8593  1.2376 -1.3691   4.5428  -4.1787   9.8526   -0.6105   5.1194   2.6323  1.7735 2.0835  1.3617 0.000000       0.000000  
1 1 1 14 19 1  o 4.8887  1.1036 9.1990    3.8608  12.300    5.7056   6.5799    5.2437   5.6357  1.3899 4.3021  1.4262 1.333691       1.991489  
1 1 1 14 19 2  o 15.339  0.6297 86.537    7.0797  87.380    8.1567   83.962    14.255   15.405  0.7224 14.967  1.3127 0.4385672      1.498361  
1 1 1 14 19 3  o 3.5188  1.2041 4.2237    3.7360  5.7644    4.7331   1.6770    6.0850   4.0487  1.3554 3.5581  1.4594 0.4905841      1.991748  
1 1 1 14 19 4  o 22.874  0.5576 192.312   9.3491  192.378   12.205   192.219   14.543   22.854  0.7286 22.820  0.8695 0.3376198E-01  1.134424  
1 1 1 14 19 5  o 12.644  0.5346 58.760    4.9550  57.292    7.0813   60.168    6.9357   12.441  0.7805 12.757  0.7450 -0.3151226     1.078991  
1 1 1 14 19 6  o 24.904  0.5871 228.105   10.716  214.032   14.741   243.878   15.606   24.079  0.8352 25.705  0.8283 -1.625599      1.176311  
1 1 1 14 19 7  o 2.6071  1.0869 0.5389    3.4506  12.136    5.2690   -8.1698   4.5658   5.5936  1.3085 1.9929  0.9707 3.600659       1.629203  
1 1 1 14 19 8  o 14.841  0.5155 80.965    5.6074  84.360    8.2630   78.066    7.6343   15.124  0.7454 14.553  0.7157 0.5715437      1.033384  
1 1 1 14 19 9  o 16.306  0.6430 97.922    7.6855  104.368   16.814   96.219    8.6409   16.630  1.3923 16.152  0.7299 0.4780693      1.571970  
1 1 1 14 19 10 o 9.9316  0.8387 36.718    6.0484  43.229    10.730   33.685    7.3225   10.644  1.4101 9.4612  1.0750 1.182992       1.773148  
1 1 1 14 19 11 o 4.2197  1.1793 6.8339    3.7888  2.7684    5.4258   10.703    5.2929   3.5631  1.4068 5.2447  1.3640 -1.681595      1.959524  
1 1 1 14 19 12 o 9.3684  0.6523 32.494    4.4514  33.470    6.5807   31.670    6.0441   9.4535  0.9632 9.2045  0.9077 0.2489986      1.323485  
1 1 1 14 20 0  o 7.9388  0.9498 24.185    5.3174  3.8233    9.5623   33.301    6.3978   3.3544  2.0491 9.3655  0.9547 0.000000       0.000000  
1 1 1 14 20 1  o 17.943  0.5066 118.342   6.6626  117.829   9.5708   118.824   9.2807   17.875  0.7305 17.954  0.7053 -0.7914734E-01 1.015398  
1 1 1 14 20 2  o 6.3123  0.7790 14.926    3.5276  12.429    5.2595   16.967    4.7560   5.6579  1.2961 6.6935  1.0001 -1.035600      1.637079  
1 1 1 14 20 3  o 23.844  0.5725 209.181   10.006  212.050   14.618   206.651   13.725   23.954  0.8326 23.657  0.7916 0.2974701      1.148812  
1 1 1 14 20 4  o 9.7935  0.5794 35.418    4.1406  27.239    5.5393   45.774    6.2335   8.5329  0.8992 11.109  0.7703 -2.576337      1.184035  
1 1 1 14 20 5  o 8.9211  0.6321 29.459    4.1067  32.911    6.3838   27.023    5.3640   9.3785  0.9414 8.5026  0.8731 0.8758717      1.283934  
1 1 1 14 20 6  o 32.553  0.8186 391.731   19.532  417.712   36.368   381.198   23.155   33.285  1.4907 32.050  0.9857 1.234623       1.787098  
1 1 1 14 20 7  o 7.9376  0.8269 23.546    4.7403  21.190    11.191   24.061    5.2329   7.2905  2.0230 8.0092  0.9074 -0.7187252     2.217221  
1 1 1 14 20 8  o 8.1279  0.8308 24.689    4.8798  36.191    11.255   22.026    5.4152   9.6361  1.6531 7.6398  0.9904 1.996252       1.927086  
1 1 1 14 20 9  o 7.4352  1.0110 20.907    5.3669  35.730    10.510   15.679    6.2421   9.6071  1.5450 6.3403  1.3822 3.266768       2.072992  
1 1 1 14 20 10 o 6.1565  0.9774 14.405    4.2632  17.868    5.8029   10.345    6.2838   6.8194  1.2050 5.1864  1.5407 1.633032       1.955955  
1 1 1 14 21 0  o 9.5390  0.8454 34.294    5.8042  22.105    10.385   39.832    6.9997   6.7117  2.3360 10.264  0.9491 0.000000       0.000000  
1 1 1 14 21 1  o 9.3021  0.5913 31.999    4.0104  35.928    5.8898   28.604    5.4760   9.8187  0.8261 8.7455  0.8656 1.073186       1.196551  
1 1 1 14 21 2  o 6.4194  0.7681 15.444    3.5423  16.441    5.2606   14.617    4.7914   6.5468  1.1376 6.1731  1.0993 0.3736973      1.581906  
1 1 1 14 21 3  o 7.8846  0.6651 23.092    3.8077  22.045    5.6702   23.952    5.1389   7.6277  1.0414 7.9893  0.8928 -0.3615408     1.371737  
1 1 1 14 21 4  o 7.4823  0.7163 20.860    3.8806  20.298    6.0121   21.261    5.0807   7.2832  1.1655 7.5101  0.9438 -0.2268958     1.499745  
1 1 1 14 21 5  o 14.314  0.5210 75.392    5.4660  78.233    8.2759   73.194    7.2798   14.524  0.7803 14.062  0.7086 0.4620409      1.053992  
1 1 1 14 21 6  o 20.518  0.5507 154.989   8.2819  171.483   12.943   143.552   10.777   21.524  0.8204 19.710  0.7460 1.813742       1.108863  
1 1 1 14 21 7  o 22.903  0.5721 193.173   9.6043  199.179   14.211   188.123   13.031   23.193  0.8360 22.553  0.7883 0.6400471      1.149021  
1 1 1 15 0  1  o 43.779  1.2561 704.764   40.230  692.345   55.892   718.115   57.951   43.318  1.7670 44.116  1.7990 0.000000       0.000000  
1 1 1 15 0  2  o 68.446  1.9244 1724.66   96.369  1720.14   135.351  1729.32   137.241  68.203  2.7173 68.379  2.7484 0.000000       0.000000  
1 1 1 15 0  3  o 32.272  0.9692 382.931   22.879  382.649   32.400   383.211   32.312   32.207  1.3782 32.231  1.3734 0.000000       0.000000  
1 1 1 15 0  4  o 97.664  2.7266 3519.60   194.838 3569.19   280.167  3473.16   271.140  97.998  3.9147 96.690  3.8396 0.000000       0.000000  
1 1 1 15 0  5  o 20.543  0.8778 155.583   13.162  170.259   17.255   135.161   20.354   21.461  1.1036 19.020  1.4807 0.000000       0.000000  
1 1 1 15 0  6  o 25.738  0.8372 243.667   15.757  281.891   24.836   217.917   20.385   27.638  1.2316 24.292  1.1507 0.000000       0.000000  
1 1 1 15 0  7  o 74.077  2.0822 2022.37   112.853 2284.76   252.451  1956.84   126.160  78.008  4.4484 72.803  2.3699 0.000000       0.000000  
1 1 1 15 0  8  o 31.342  0.9646 361.298   22.113  317.395   38.845   382.345   26.896   29.218  1.8303 32.222  1.1421 0.000000       0.000000  
1 1 1 15 0  9  o 1.7646  1.2090 -3.3559   4.9913  2.7764    8.9702   -6.1060   6.0071   3.1833  1.9634 1.7777  1.2433 0.000000       0.000000  
1 1 1 15 0  10 o 38.287  1.1316 539.344   31.694  550.684   63.438   535.571   36.588   38.463  2.2683 38.126  1.3128 0.000000       0.000000  
1 1 1 15 0  11 f 4.0560  1.7412 8.6087    5.3009  10.685    8.9784   7.4978    6.5678   4.4424  2.2359 3.7302  1.9045 0.000000       0.000000  
1 1 1 15 0  12 o 49.835  3.0082 930.816   108.964 0.0000    0.0000   930.816   108.964  49.835  3.0082 49.835  3.0082 0.000000       0.000000  
1 1 1 15 0  13 o 64.842  2.6266 1563.51   124.367 0.0000    0.0000   1563.51   124.367  64.842  2.6266 64.842  2.6266 0.000000       0.000000  
1 1 1 15 0  14 o 11.431  0.7865 48.612    6.5183  49.605    11.256   48.111    7.9953   11.363  1.4098 11.324  0.9802 0.000000       0.000000  
1 1 1 15 0  15 o 11.790  0.8008 51.697    6.8465  73.167    12.984   43.429    8.0577   13.932  1.2973 10.726  1.0479 0.000000       0.000000  
1 1 1 15 0  16 o 53.139  1.5367 1041.81   59.741  931.742   105.868  1093.24   72.363   49.794  2.9238 54.366  1.8206 0.000000       0.000000  
1 1 1 15 0  17 o 21.173  0.7954 165.182   12.304  223.396   27.967   151.210   13.702   24.483  1.5734 20.233  0.9284 0.000000       0.000000  
1 1 1 15 0  18 o 17.857  0.7692 117.653   10.025  144.034   19.870   108.645   11.611   19.640  1.3966 17.128  0.9312 0.000000       0.000000  
1 1 1 15 0  19 o 3.9812  1.7202 8.3329    5.1682  10.831    8.3508   6.7821    6.5796   4.4610  2.1721 3.5662  1.8838 0.000000       0.000000  
1 1 1 15 0  20 o 32.764  1.0265 395.630   24.595  353.918   42.845   416.133   30.038   30.756  1.9177 33.566  1.2246 0.000000       0.000000  
1 1 1 15 0  21 o 6.0734  3.2761 19.990    20.271  0.0000    0.0000   19.990    20.271   6.0734  3.2761 6.0734  3.2761 0.000000       0.000000  
1 1 1 15 0  22 o 6.0846  1.5026 15.889    5.8012  12.994    8.8263   18.091    7.6974   4.9013  2.2478 6.2778  1.9151 0.000000       0.000000  
1 1 1 15 0  23 o 24.143  0.8798 215.048   15.523  232.170   29.574   208.538   18.236   24.893  1.6371 23.738  1.0528 0.000000       0.000000  
1 1 1 15 1  0  o 113.847 3.1653 4788.38   263.667 4810.23   374.571  4766.93   371.216  113.639 4.5132 113.132 4.4928 0.000000       0.000000  
1 1 1 15 1  1  o 68.330  1.4550 1715.30   72.873  1742.60   97.946   1681.45   109.063  68.806  1.9421 67.546  2.2029 1.260185       2.936785  
1 1 1 15 1  2  o 67.259  1.3336 1661.33   65.746  1656.96   92.934   1665.70   93.025   67.100  1.8896 67.277  1.8865 -0.1770630     2.670086  
1 1 1 15 1  3  o 91.820  1.8140 3101.88   122.084 3050.20   171.046  3155.54   174.305  90.874  2.5680 92.429  2.5729 -1.554474      3.635149  
1 1 1 15 1  4  o 43.313  0.9504 688.306   30.174  739.976   42.725   636.895   42.618   44.888  1.2986 41.637  1.3965 3.250504       1.906959  
1 1 1 15 1  5  o 73.361  1.4602 1977.82   78.515  2036.36   113.725  1924.50   108.532  74.331  2.0874 72.268  2.0489 2.062996       2.924963  
1 1 1 15 1  6  o 8.1978  0.6259 24.786    3.7325  24.842    5.2120   24.728    5.3476   8.1812  0.8832 8.1591  0.9097 0.2210999E-01  1.267897  
1 1 1 15 1  7  o 28.030  0.6283 288.120   12.908  267.936   17.365   313.047   19.297   27.023  0.8767 29.208  0.9014 -2.185448      1.257398  
1 1 1 15 1  8  o 97.685  1.9275 3518.97   138.010 3435.23   190.800  3610.85   199.866  96.226  2.7052 98.628  2.7648 -2.402412      3.868092  
1 1 1 15 1  9  o 62.358  1.2489 1429.27   57.082  1438.11   81.456   1420.74   80.016   62.456  1.7794 62.082  1.7584 0.3740196      2.501649  
1 1 1 15 1  10 o 21.735  0.5495 173.232   8.7533  198.696   13.514   154.829   11.489   23.269  0.7924 20.542  0.7631 2.727610       1.100058  
1 1 1 15 1  11 o 83.663  1.6553 2582.04   101.504 2626.81   145.952  2540.10   141.261  84.098  2.3678 82.716  2.3300 1.382271       3.321932  
1 1 1 15 1  12 o 51.605  2.1148 987.615   79.989  1080.56   121.342  916.183   106.374  53.531  3.1060 49.345  2.9547 4.186249       4.286870  
1 1 1 15 1  13 o 21.820  0.6375 174.693   10.195  181.697   15.381   169.205   13.616   22.238  0.9437 21.464  0.8655 0.7736797      1.280457  
1 1 1 15 1  14 o 4.3317  1.1213 7.1630    3.5879  9.6853    5.1074   4.7054    5.0415   5.0405  1.3537 3.8873  1.3934 1.153233       1.942724  
1 1 1 15 1  15 o 37.530  0.8010 517.323   22.034  477.053   29.152   570.992   33.654   36.005  1.1046 39.381  1.1659 -3.376453      1.606113  
1 1 1 15 1  16 o 19.825  0.5391 144.189   7.8330  148.278   11.336   140.454   10.836   20.093  0.7697 19.557  0.7559 0.5365524      1.078845  
1 1 1 15 1  17 o 16.219  0.5166 96.508    6.1412  103.925   9.0497   90.177    8.3610   16.822  0.7339 15.671  0.7279 1.151846       1.033719  
1 1 1 15 1  18 o 19.331  0.5342 137.101   7.5689  137.282   10.841   136.929   10.572   19.332  0.7651 19.308  0.7470 0.2379417E-01  1.069326  
1 1 1 15 1  19 o 21.593  0.5697 171.128   9.0163  156.510   12.263   188.326   13.302   20.635  0.8108 22.636  0.8017 -2.001141      1.140266  
1 1 1 15 1  20 o 24.255  0.5989 215.999   10.648  212.647   14.958   219.442   15.160   24.043  0.8488 24.424  0.8468 -0.3813057     1.198996  
1 1 1 15 1  21 o 24.007  1.2367 213.759   21.687  186.947   25.372   286.486   41.787   22.367  1.5573 27.519  2.0872 -5.152060      2.604159  
1 1 1 15 1  22 f 28.055  0.6699 289.338   13.776  275.787   18.866   304.816   20.163   27.349  0.9412 28.749  0.9569 -1.400421      1.342146  
1 1 1 15 1  23 o 24.350  0.6119 217.874   10.921  198.880   14.432   243.316   16.703   23.236  0.8474 25.695  0.8869 -2.458778      1.226679  
1 1 1 15 2  0  o 45.607  1.3105 764.941   43.726  772.655   62.675   757.625   61.035   45.754  1.8760 45.310  1.8448 0.000000       0.000000  
1 1 1 15 2  1  o 98.206  1.9449 3550.31   139.993 3371.23   188.992  3768.03   208.387  95.501  2.7000 100.927 2.8170 -5.425858      3.901942  
1 1 1 15 2  2  o 24.860  0.5678 226.585   10.347  219.137   14.289   234.796   15.003   24.444  0.7975 25.302  0.8090 -0.8580399     1.135995  
1 1 1 15 2  3  o 14.218  0.4773 74.107    4.9740  72.305    6.9551   75.994    7.1162   14.042  0.6757 14.396  0.6744 -0.3536959     0.9547071 
1 1 1 15 2  4  o 47.595  0.9580 831.171   33.422  811.900   46.231   852.269   48.372   47.014  1.3416 48.166  1.3702 -1.152252      1.917617  
1 1 1 15 2  5  o 44.919  0.9150 740.270   30.123  710.971   40.889   775.045   44.547   43.998  1.2679 45.933  1.3232 -1.935444      1.832597  
1 1 1 15 2  6  o 66.495  1.4252 1625.19   69.463  1482.98   83.969   1933.47   123.635  63.463  1.8052 72.351  2.3314 -8.887592      2.948569  
1 1 1 15 2  7  o 19.873  0.5242 144.801   7.6361  154.226   11.158   136.498   10.473   20.505  0.7424 19.291  0.7407 1.214464       1.048696  
1 1 1 15 2  8  o 18.789  0.5160 129.432   7.1065  120.888   9.7160   139.261   10.421   18.154  0.7302 19.485  0.7297 -1.330767      1.032311  
1 1 1 15 2  9  o 47.707  0.9678 835.625   33.843  815.174   46.749   858.143   49.057   47.079  1.3548 48.300  1.3857 -1.220879      1.937959  
1 1 1 15 2  10 o 7.8530  0.6872 22.797    3.9156  16.209    5.5429   29.358    5.5321   6.5381  1.2009 8.9021  0.8585 -2.363999      1.476201  
1 1 1 15 2  11 o 48.688  1.1477 871.583   40.959  951.726   76.564   839.452   48.479   50.695  2.0605 47.747  1.3852 2.948215       2.482857  
1 1 1 15 2  12 o 45.243  1.8654 757.251   61.861  782.561   88.704   733.286   86.314   45.700  2.6596 44.228  2.6752 1.472500       3.772304  
1 1 1 15 2  13 o 44.783  1.0642 737.416   34.931  686.850   46.442   803.288   53.007   43.155  1.4682 46.653  1.5501 -3.497978      2.135103  
1 1 1 15 2  14 o 61.303  1.2308 1384.14   55.301  1344.01   75.852   1429.67   80.798   60.267  1.7171 62.137  1.7741 -1.870602      2.468979  
1 1 1 15 2  15 o 45.721  1.0020 768.757   33.581  728.348   48.673   805.462   46.389   44.410  1.4953 46.734  1.3543 -2.323891      2.017418  
1 1 1 15 2  16 o 28.582  0.6501 299.849   13.620  304.978   19.534   294.998   19.000   28.803  0.9253 28.328  0.9150 0.4742088      1.301333  
1 1 1 15 2  17 f 26.648  0.6217 260.633   12.143  255.333   16.922   266.258   17.434   26.356  0.8760 26.914  0.8838 -0.5572033     1.244362  
1 1 1 15 2  18 o 30.892  0.6866 350.412   15.547  338.414   21.399   363.825   22.626   30.330  0.9626 31.446  0.9817 -1.115717      1.374847  
1 1 1 15 2  19 o 20.755  0.5620 158.100   8.5490  161.630   12.171   154.663   12.010   20.971  0.7919 20.513  0.7988 0.4574585      1.124774  
1 1 1 15 2  20 o 20.107  0.5686 148.417   8.3790  156.025   12.233   141.692   11.500   20.597  0.8103 19.629  0.7993 0.9679680      1.138193  
1 1 1 15 2  21 o 24.630  0.8903 223.424   16.072  226.910   29.218   221.912   19.245   24.628  1.6278 24.519  1.0708 0.1086788      1.948411  
1 1 1 15 2  22 o 13.704  0.5819 68.983    5.8445  67.803    7.8868   70.421    8.7041   13.549  0.7977 13.799  0.8650 -0.2506323     1.176645  
1 1 1 15 2  23 o 20.498  0.5789 154.354   8.6977  169.952   12.896   141.336   11.781   21.483  0.8190 19.591  0.8204 1.892101       1.159212  
1 1 1 15 3  0  o 13.895  0.6687 71.267    6.7748  74.073    9.8161   68.715    9.3620   14.116  0.9589 13.591  0.9505 0.000000       0.000000  
1 1 1 15 3  1  o 37.836  0.7818 525.033   21.681  513.033   30.125   537.928   31.229   37.388  1.0993 38.283  1.1129 -0.8956680     1.564314  
1 1 1 15 3  2  o 5.6655  0.8331 12.025    3.3563  7.0272    4.6603   17.412    4.8377   4.3704  1.3333 6.8168  0.9978 -2.446338      1.665311  
1 1 1 15 3  3  o 55.843  1.1950 1144.95   48.914  1156.95   65.489   1129.81   73.563   56.095  1.5928 55.407  1.8114 0.6881752      2.412096  
1 1 1 15 3  4  o 53.505  1.0696 1050.74   41.947  1037.33   58.692   1064.75   59.974   53.122  1.5074 53.818  1.5204 -0.6959076     2.140967  
1 1 1 15 3  5  o 35.276  0.7371 456.390   19.057  500.901   29.184   423.299   25.163   36.940  1.0779 33.961  1.0109 2.978443       1.477732  
1 1 1 15 3  6  o 20.256  0.5211 150.436   7.7375  152.953   9.9568   146.599   12.294   20.422  0.6652 19.990  0.8391 0.4326954      1.070765  
1 1 1 15 3  7  o 51.966  1.0413 991.464   39.661  981.086   55.560   1002.25   56.633   51.647  1.4677 52.200  1.4802 -0.5524101     2.084476  
1 1 1 15 3  8  o 34.877  0.7946 446.308   20.312  471.004   28.038   419.034   29.466   35.812  1.0682 33.770  1.1904 2.042030       1.599390  
1 1 1 15 3  9  o 52.541  1.0612 1014.01   40.867  937.342   53.677   1119.74   63.034   50.465  1.4512 55.139  1.5597 -4.673649      2.130373  
1 1 1 15 3  10 o 18.182  0.5240 121.231   6.9836  132.671   10.388   111.796   9.4337   19.015  0.7453 17.455  0.7374 1.559681       1.048450  
1 1 1 15 3  11 o 70.357  1.6284 1826.47   83.974  1858.04   146.641  1811.06   102.432  70.477  2.8388 69.939  1.9982 0.5374908      3.471488  
1 1 1 15 3  12 o 41.826  1.2283 643.779   37.656  661.351   44.214   597.376   71.850   42.362  1.4240 39.968  2.4647 2.394070       2.846438  
1 1 1 15 3  13 o 89.158  2.2798 2959.66   148.982 3200.35   207.383  2702.97   214.165  92.125  3.0713 84.341  3.4644 7.783478       4.629759  
1 1 1 15 3  14 o 28.380  0.6532 295.594   13.588  299.243   19.567   292.196   18.884   28.533  0.9356 28.197  0.9137 0.3360424      1.307772  
1 1 1 15 3  15 o 15.884  0.5520 92.561    6.4269  98.039    9.8792   88.541    8.4624   16.315  0.8289 15.528  0.7435 0.7869101      1.113466  
1 1 1 15 3  16 f 40.300  0.8432 596.779   24.906  621.604   36.484   575.113   34.084   41.072  1.2119 39.513  1.1769 1.559677       1.689300  
1 1 1 15 3  17 o 29.204  0.6628 313.101   14.188  299.759   19.464   328.228   20.725   28.551  0.9301 29.874  0.9465 -1.323265      1.327034  
1 1 1 15 3  18 o 48.376  0.9911 861.185   35.141  858.213   49.639   864.170   49.754   48.192  1.4053 48.359  1.4037 -0.1674194     1.986242  
1 1 1 15 3  19 o 18.792  0.5505 129.610   7.5828  137.112   11.076   122.992   10.403   19.315  0.7824 18.294  0.7759 1.021126       1.101843  
1 1 1 15 3  20 o 36.626  0.9177 493.929   24.636  536.908   32.546   436.258   37.701   38.132  1.1645 34.288  1.5001 3.844223       1.899043  
1 1 1 15 3  21 o 14.699  0.8130 79.754    8.7245  87.532    12.130   71.418    12.558   15.359  1.0845 13.835  1.2519 1.523913       1.656309  
1 1 1 15 3  22 o 28.583  0.7805 300.723   16.351  333.366   25.198   276.979   21.491   30.020  1.1452 27.379  1.0709 2.640404       1.567892  
1 1 1 15 3  23 o 5.4996  1.0478 11.538    4.0694  16.157    5.7290   6.8343    5.7814   6.4971  1.2484 4.4329  1.4979 2.064143       1.949947  
1 1 1 15 4  0  o 43.111  1.2368 683.487   39.009  685.751   55.338   681.250   54.997   43.107  1.7581 42.965  1.7530 0.000000       0.000000  
1 1 1 15 4  1  o 33.564  0.7106 413.130   17.481  444.923   26.353   388.149   23.359   34.819  1.0326 32.524  0.9799 2.295044       1.423544  
1 1 1 15 4  2  o 67.689  1.3494 1683.22   66.949  1771.22   98.848   1608.64   91.000   69.345  1.9448 66.097  1.8783 3.248016       2.703756  
1 1 1 15 4  3  o 27.476  0.6087 276.812   12.258  292.085   18.059   263.762   16.693   28.216  0.8732 26.814  0.8493 1.402208       1.218123  
1 1 1 15 4  4  o 20.045  0.5069 147.302   7.4471  147.501   10.499   147.100   10.565   20.055  0.7142 20.027  0.7197 0.2737045E-01  1.013978  
1 1 1 15 4  5  o 44.692  0.9738 733.069   31.899  792.142   51.971   697.360   40.406   46.409  1.5278 43.569  1.2653 2.840622       1.983748  
1 1 1 15 4  6  o 64.525  1.2836 1529.96   60.706  1597.09   80.076   1439.24   93.089   65.865  1.6587 62.454  2.0336 3.410484       2.624240  
1 1 1 15 4  7  o 22.312  0.5813 182.551   9.5058  169.436   12.135   203.382   15.293   21.491  0.7704 23.541  0.8863 -2.050552      1.174327  
1 1 1 15 4  8  o 23.366  0.5595 200.219   9.5821  188.756   12.981   213.941   14.203   22.681  0.7809 24.146  0.8025 -1.464966      1.119731  
1 1 1 15 4  9  o 23.358  0.5631 200.081   9.6408  209.934   14.035   191.279   13.266   23.917  0.8006 22.830  0.7927 1.087038       1.126690  
1 1 1 15 4  10 o 73.472  1.4559 1988.54   78.401  2044.98   113.914  1937.75   108.067  74.303  2.0916 72.349  2.0379 1.954834       2.920276  
1 1 1 15 4  11 o 36.616  0.8962 492.405   24.053  489.801   42.289   493.651   29.245   36.435  1.5835 36.643  1.0889 -0.2079277     1.921776  
1 1 1 15 4  12 o 7.7644  1.0161 22.535    5.6438  21.269    5.9523   33.803    17.761   7.5243  1.1129 9.3612  2.5288 -1.836899      2.762834  
1 1 1 15 4  13 o 59.716  1.7128 1319.37   74.969  1258.97   82.733   1596.61   177.258  58.256  1.9376 64.435  3.7696 -6.178585      4.238426  
1 1 1 15 4  14 o 21.663  0.5661 172.172   8.9891  159.675   12.231   186.853   13.256   20.850  0.8003 22.555  0.8018 -1.704693      1.132890  
1 1 1 15 4  15 o 18.582  0.5573 126.685   7.5910  126.444   10.222   126.981   11.334   18.556  0.7516 18.591  0.8318 -0.3515244E-01 1.121037  
1 1 1 15 4  16 o 46.258  1.2229 788.686   41.462  796.810   66.075   783.410   53.250   46.294  1.9473 46.016  1.5788 0.2780991      2.506914  
1 1 1 15 4  17 o 14.479  0.5620 76.928    5.9641  74.251    7.9192   80.435    9.0657   14.197  0.7639 14.770  0.8409 -0.5732288     1.136038  
1 1 1 15 4  18 o 18.118  0.5683 120.477   7.5473  112.863   11.044   127.149   10.338   17.521  0.8600 18.603  0.7582 -1.082502      1.146490  
1 1 1 15 4  19 o 19.889  0.5543 145.181   8.0803  148.135   11.594   142.391   11.267   20.074  0.7880 19.682  0.7810 0.3925133      1.109478  
1 1 1 15 4  20 o 21.787  0.6739 174.424   10.762  152.232   17.834   187.135   13.497   20.260  1.2064 22.553  0.8165 -2.293308      1.456761  
1 1 1 15 4  21 o 25.285  0.6199 234.903   11.489  238.174   16.358   231.719   16.139   25.427  0.8777 25.080  0.8779 0.3469849      1.241421  
1 1 1 15 4  22 f 17.817  0.7111 116.770   9.2869  116.679   12.444   116.883   13.953   17.757  0.9596 17.751  1.0775 0.6505966E-02  1.442888  
1 1 1 15 5  0  o 69.505  1.9647 1779.52   99.911  2028.53   159.591  1619.02   128.125  73.997  2.9532 66.145  2.6525 0.000000       0.000000  
1 1 1 15 5  1  o 49.046  0.9862 882.807   35.454  865.332   49.019   901.976   51.341   48.527  1.3782 49.540  1.4139 -1.013306      1.974456  
1 1 1 15 5  2  o 33.851  0.7137 420.269   17.708  441.023   25.989   402.283   24.194   34.664  1.0229 33.108  0.9970 1.556198       1.428386  
1 1 1 15 5  3  o 26.277  0.5877 253.182   11.318  237.417   15.236   272.594   16.907   25.440  0.8171 27.258  0.8462 -1.818550      1.176351  
1 1 1 15 5  4  o 52.477  1.0502 1010.98   40.395  1025.75   57.790   996.870   56.485   52.812  1.4929 52.065  1.4802 0.7471504      2.102323  
1 1 1 15 5  5  o 16.305  0.4811 97.464    5.7497  108.838   8.6145   88.326    7.7212   17.226  0.6823 15.519  0.6788 1.707816       0.9624339 
1 1 1 15 5  6  o 22.998  0.5503 193.947   9.2763  188.231   11.660   203.799   15.310   22.653  0.7023 23.565  0.8864 -0.9119987     1.130856  
1 1 1 15 5  7  o 51.132  1.1043 960.450   41.388  1045.84   58.949   877.441   58.122   53.302  1.5089 48.805  1.6248 4.496758       2.217358  
1 1 1 15 5  8  o 39.912  0.8233 584.633   24.085  612.998   35.460   560.341   32.815   40.837  1.1847 39.047  1.1466 1.789593       1.648693  
1 1 1 15 5  9  o 52.097  1.0477 997.268   40.007  983.291   55.843   1012.01   57.343   51.664  1.4747 52.410  1.4927 -0.7455902     2.098319  
1 1 1 15 5  10 o 41.838  0.9247 642.946   28.357  622.093   36.643   674.078   44.772   41.120  1.2158 42.772  1.4281 -1.652004      1.875538  
1 1 1 15 5  11 o 51.404  3.0191 996.469   113.250 0.0000    0.0000   996.469   113.250  ?       ?      51.404  3.0191 0.000000       3.019078  
1 1 1 15 5  12 o 15.442  0.6182 87.498    6.9973  85.898    9.9251   89.079    9.8665   15.265  0.8909 15.548  0.8692 -0.2832022     1.244728  
1 1 1 15 5  13 o 23.768  0.8345 207.523   14.538  195.252   16.351   253.814   31.759   23.045  0.9680 26.141  1.6662 -3.096184      1.927000  
1 1 1 15 5  14 o 63.664  1.2773 1494.00   59.601  1457.85   82.144   1534.20   86.611   62.715  1.7870 64.316  1.8373 -1.600594      2.562987  
1 1 1 15 5  15 o 45.532  0.9452 762.329   31.546  741.326   43.551   785.512   45.755   44.828  1.3255 46.138  1.3530 -1.310284      1.894068  
1 1 1 15 5  16 o 34.195  0.7417 429.471   18.590  461.646   28.011   404.142   24.853   35.410  1.0792 33.139  1.0232 2.271023       1.487171  
1 1 1 15 5  17 o 24.247  0.5967 215.779   10.604  229.644   15.691   204.121   14.387   24.994  0.8565 23.566  0.8329 1.427843       1.194726  
1 1 1 15 5  18 o 18.075  0.5392 119.898   7.1434  119.382   10.254   120.384   9.9571   18.023  0.7762 18.101  0.7505 -0.7712173E-01 1.079704  
1 1 1 15 5  19 f 15.287  0.5364 85.771    6.0104  84.542    8.4597   87.025    8.5409   15.146  0.7645 15.387  0.7573 -0.2406101     1.076091  
1 1 1 15 5  20 o 16.462  0.7201 99.637    8.6894  98.553    13.706   100.366   11.236   16.292  1.1553 16.478  0.9341 -0.1867371     1.485725  
1 1 1 15 5  21 o 28.989  0.6709 308.936   14.255  304.422   20.070   313.531   20.250   28.730  0.9531 29.158  0.9475 -0.4277077     1.343926  
1 1 1 15 5  22 o 27.875  0.9298 286.616   18.998  274.319   21.659   327.642   39.560   27.239  1.0848 29.473  1.8405 -2.234608      2.136387  
1 1 1 15 6  0  o 41.718  1.2049 640.150   36.775  629.517   51.164   651.513   52.894   41.294  1.6969 42.008  1.7245 0.000000       0.000000  
1 1 1 15 6  1  o 53.601  1.0824 1054.90   42.523  1046.08   58.996   1064.44   61.346   53.329  1.5093 53.789  1.5560 -0.4596748     2.167749  
1 1 1 15 6  2  o 66.280  1.3138 1614.52   63.826  1597.54   89.553   1632.05   90.990   65.838  1.8558 66.544  1.8655 -0.7052231     2.631364  
1 1 1 15 6  3  o 11.034  0.5362 44.643    4.3363  36.272    5.5373   57.918    6.9729   9.9139  0.7680 12.542  0.7621 -2.628133      1.081992  
1 1 1 15 6  4  o 65.195  1.3038 1562.37   62.305  1433.24   80.855   1751.13   97.757   62.364  1.7688 68.897  1.9358 -6.532562      2.622267  
1 1 1 15 6  5  o 65.330  1.5067 1570.80   72.147  1497.51   84.290   1771.65   139.531  63.730  1.8045 69.039  2.7574 -5.309845      3.295331  
1 1 1 15 6  6  o 12.008  0.6650 53.049    5.8300  59.575    7.9315   45.379    8.5987   12.712  0.8563 11.063  1.0740 1.648807       1.373521  
1 1 1 15 6  7  f 15.545  0.5897 88.630    6.7186  87.187    8.6114   90.875    10.741   15.414  0.7622 15.704  0.9374 -0.2896643     1.208153  
1 1 1 15 6  8  o 56.370  1.1287 1168.05   46.633  1133.45   64.139   1206.86   67.922   55.448  1.5782 57.206  1.6199 -1.758221      2.261573  
1 1 1 15 6  9  o 32.024  0.6990 376.314   16.407  362.680   22.352   392.241   24.158   31.419  0.9706 32.672  1.0088 -1.252094      1.399914  
1 1 1 15 6  10 o 47.782  1.0534 839.385   36.894  815.433   55.824   857.960   49.160   46.994  1.6207 48.251  1.3900 -1.257526      2.135125  
1 1 1 15 6  11 o 26.063  0.8635 249.501   16.495  277.111   34.060   241.041   18.854   27.325  1.7092 25.607  1.0045 1.718225       1.982538  
1 1 1 15 6  12 o 28.137  0.6893 290.617   14.217  300.192   19.505   279.766   20.764   28.578  0.9312 27.580  1.0272 0.9981556      1.386425  
1 1 1 15 6  13 o 41.820  1.2262 644.370   37.587  636.106   43.132   670.456   76.633   41.514  1.4175 42.241  2.4861 -0.7276077     2.861809  
1 1 1 15 6  14 o 5.5812  1.0050 11.807    3.9600  9.1965    5.6474   14.332    5.5542   4.9511  1.4580 6.1222  1.2790 -1.171126      1.939450  
1 1 1 15 6  15 o 15.677  0.5464 90.174    6.2784  85.632    8.9642   94.547    8.7961   15.245  0.8051 16.044  0.7480 -0.7989597     1.098916  
1 1 1 15 6  16 o 21.804  0.5595 174.461   8.9417  177.567   12.891   171.581   12.413   21.982  0.8001 21.610  0.7837 0.3725700      1.119971  
1 1 1 15 6  17 o 46.501  0.9603 795.696   32.730  874.455   50.245   737.642   43.138   48.634  1.4095 44.693  1.3169 3.941547       1.928948  
1 1 1 15 6  18 o 32.955  0.7228 399.021   17.459  415.384   25.611   384.816   23.863   33.577  1.0407 32.324  1.0072 1.253685       1.448260  
1 1 1 15 6  19 o 28.146  0.6601 291.058   13.618  305.974   19.928   277.991   18.652   28.821  0.9433 27.474  0.9262 1.347010       1.322041  
1 1 1 15 6  20 f 11.259  0.8163 46.908    6.6912  54.266    11.281   42.915    8.3109   12.033  1.2997 10.728  1.0712 1.305153       1.684261  
1 1 1 15 6  21 o 12.314  0.5650 55.698    5.0994  52.070    7.2225   59.305    7.2009   11.860  0.8362 12.669  0.7793 -0.8087444     1.142997  
1 1 1 15 6  22 o 39.648  1.2090 582.514   35.135  556.642   39.344   684.387   78.072   38.690  1.3874 42.124  2.5405 -3.433857      2.894694  
1 1 1 15 7  0  o 55.449  3.2017 1148.36   129.129 0.0000    0.0000   1148.36   129.129  55.449  3.2017 55.449  3.2017 0.000000       0.000000  
1 1 1 15 7  1  o 13.310  0.6283 64.971    6.1292  65.325    7.7768   64.391    9.9580   13.319  0.8003 13.202  1.0375 0.1175251      1.310287  
1 1 1 15 7  2  o 14.221  0.5188 74.158    5.4082  79.677    8.3032   70.091    7.1274   14.716  0.7725 13.805  0.7068 0.9114733      1.047008  
1 1 1 15 7  3  o 22.571  0.5352 186.800   8.8548  185.111   12.438   188.537   12.609   22.462  0.7555 22.669  0.7589 -0.2068081     1.070802  
1 1 1 15 7  4  o 88.243  1.7444 2871.32   112.824 2844.09   158.422  2899.34   160.717  87.555  2.4686 88.396  2.4805 -0.8411331     3.499596  
1 1 1 15 7  5  o 19.616  0.5111 141.100   7.3480  137.501   9.3023   147.071   11.983   19.361  0.6555 20.018  0.8167 -0.6573849     1.047204  
1 1 1 15 7  6  o 28.689  0.6326 301.903   13.301  291.920   16.525   320.273   22.416   28.203  0.7994 29.526  1.0358 -1.323246      1.308419  
1 1 1 15 7  7  o 26.778  0.6034 263.017   11.842  264.596   15.178   260.559   18.932   26.850  0.7713 26.633  0.9699 0.2170753      1.239136  
1 1 1 15 7  8  o 22.688  0.5501 188.801   9.1485  180.064   12.549   198.712   13.366   22.148  0.7730 23.266  0.7838 -1.118057      1.100823  
1 1 1 15 7  9  o 26.350  0.6041 254.718   11.668  275.538   17.465   237.936   15.680   27.390  0.8700 25.454  0.8404 1.935583       1.209616  
1 1 1 15 7  10 o 36.970  0.8966 502.111   24.294  503.550   42.439   501.409   29.629   36.930  1.5679 36.922  1.0949 0.8262634E-02  1.912301  
1 1 1 15 7  11 o 47.817  1.1256 841.528   39.451  867.429   57.118   817.900   54.555   48.440  1.6087 47.043  1.5822 1.396610       2.256385  
1 1 1 15 7  12 o 27.814  0.6325 283.918   12.895  277.910   18.025   290.217   18.456   27.498  0.8943 28.100  0.8961 -0.6021156     1.266011  
1 1 1 15 7  13 o 53.042  1.3759 1038.40   53.491  1086.38   72.112   979.701   79.761   54.111  1.8182 51.272  2.1224 2.839111       2.794724  
1 1 1 15 7  14 o 6.9812  0.8050 18.143    4.0437  16.579    5.7274   19.698    5.7098   6.6018  1.2289 7.2309  1.1130 -0.6291223     1.657983  
1 1 1 15 7  15 o 12.515  0.5536 57.476    5.0779  52.362    6.7746   64.032    7.6712   11.913  0.7802 13.177  0.7980 -1.264054      1.116036  
1 1 1 15 7  16 o 13.383  0.5464 65.726    5.3594  61.690    7.4833   69.976    7.6791   12.932  0.7933 13.780  0.7633 -0.8472395     1.100882  
1 1 1 15 7  17 o 43.868  0.9133 708.055   29.364  659.143   39.034   771.825   44.569   42.249  1.2605 45.699  1.3306 -3.449211      1.832849  
1 1 1 15 7  18 o 62.520  1.2589 1444.53   57.689  1444.40   81.541   1444.67   81.628   62.254  1.7870 62.259  1.7888 -0.4943848E-02 2.528469  
1 1 1 15 7  19 o 39.279  0.8437 567.962   24.289  621.891   36.849   526.527   32.300   40.999  1.2262 37.741  1.1676 3.257671       1.693210  
1 1 1 15 7  20 o 9.6612  0.7459 34.546    5.2413  27.750    6.6901   45.346    8.4337   8.5991  1.0856 11.030  1.0561 -2.431179      1.514554  
1 1 1 15 7  21 o 36.980  0.8031 503.707   21.768  516.335   31.489   492.149   30.126   37.342  1.1505 36.464  1.1272 0.8775063      1.610654  
1 1 1 15 8  0  o 71.803  2.0269 1902.21   106.481 1724.88   136.304  2179.92   170.569  68.172  2.7379 76.569  3.0503 0.000000       0.000000  
1 1 1 15 8  1  o 6.1908  0.7669 14.278    3.4053  17.003    4.8018   11.521    4.8302   6.7308  1.0040 5.4901  1.2307 1.240636       1.588335  
1 1 1 15 8  2  o 18.196  0.4881 121.400   6.5099  115.995   8.9737   127.405   9.4581   17.782  0.6885 18.635  0.6924 -0.8539200     0.9764944 
1 1 1 15 8  3  o 33.450  0.7087 410.516   17.375  408.620   24.387   412.470   24.762   33.354  0.9975 33.510  1.0081 -0.1559715     1.418241  
1 1 1 15 8  4  o 31.489  0.6799 363.776   15.693  346.919   21.483   383.060   22.978   30.735  0.9536 32.295  0.9707 -1.559980      1.360787  
1 1 1 15 8  5  o 32.055  0.7296 377.060   17.142  412.026   24.534   343.706   23.962   33.489  0.9995 30.581  1.0690 2.907637       1.463486  
1 1 1 15 8  6  o 24.502  0.6545 220.261   11.754  204.261   15.938   239.339   17.404   23.582  0.9221 25.526  0.9302 -1.944178      1.309816  
1 1 1 15 8  7  o 37.890  1.1271 528.028   31.302  539.045   46.053   518.568   42.674   38.206  1.6446 37.488  1.5531 0.7172775      2.261990  
1 1 1 15 8  8  o 23.922  0.6608 210.003   11.586  190.908   15.221   236.301   17.863   22.795  0.9110 25.357  0.9611 -2.562075      1.324286  
1 1 1 15 8  9  o 42.999  0.8857 679.245   27.915  662.193   38.671   697.798   40.338   42.405  1.2442 43.526  1.2644 -1.121651      1.773903  
1 1 1 15 8  10 f 37.223  1.1029 509.894   30.089  492.909   57.262   516.372   35.365   36.322  2.1606 37.430  1.2891 -1.107517      2.515921  
1 1 1 15 8  11 o 17.722  0.5904 115.248   7.6687  113.404   10.415   117.431   11.333   17.570  0.8087 17.876  0.8650 -0.3061638     1.184184  
1 1 1 15 8  12 o 30.169  0.7190 334.208   15.898  376.714   26.674   310.789   19.799   31.982  1.1379 29.073  0.9291 2.909040       1.469021  
1 1 1 15 8  13 o 24.056  0.7568 212.569   13.344  202.996   16.718   229.377   22.153   23.491  0.9709 24.945  1.2116 -1.453819      1.552644  
1 1 1 15 8  14 o 21.408  0.5866 168.198   9.2043  163.296   12.310   174.414   13.861   21.081  0.7967 21.781  0.8683 -0.7003899     1.178376  
1 1 1 15 8  15 o 17.194  0.5284 108.481   6.6598  106.449   9.3079   110.613   9.5330   17.022  0.7460 17.352  0.7496 -0.3295155     1.057553  
1 1 1 15 8  16 o 18.629  0.5364 127.360   7.3236  131.556   10.655   123.602   10.083   18.920  0.7683 18.341  0.7501 0.5797195      1.073741  
1 1 1 15 8  17 o 43.705  0.9123 703.059   29.224  698.937   41.308   707.190   41.350   43.482  1.2961 43.739  1.2898 -0.2577972     1.828527  
1 1 1 15 8  18 o 21.714  0.5711 173.142   9.0903  171.048   12.840   175.245   12.871   21.561  0.8125 21.825  0.8046 -0.2637749     1.143474  
1 1 1 15 8  19 o 33.220  0.7890 406.177   19.211  404.726   29.688   407.222   25.198   33.060  1.2252 33.211  1.0352 -0.1509514     1.603937  
1 1 1 15 8  20 o 16.048  0.5616 94.616    6.6062  95.328    9.6900   93.997    9.0301   16.065  0.8257 15.979  0.7710 0.8656883E-01  1.129724  
1 1 1 15 8  21 o 12.441  0.5798 56.882    5.2869  54.613    7.5859   59.025    7.3724   12.141  0.8579 12.633  0.8003 -0.4917431     1.173278  
1 1 1 15 9  0  o 27.686  0.8642 282.003   17.499  279.917   24.644   284.124   24.853   27.530  1.2269 27.737  1.2280 0.000000       0.000000  
1 1 1 15 9  1  o 48.707  0.9812 871.552   35.029  896.406   50.868   849.137   48.307   49.334  1.4068 48.021  1.3724 1.312603       1.965335  
1 1 1 15 9  2  o 24.083  0.5523 212.725   9.7500  208.838   13.574   216.868   14.013   23.853  0.7764 24.307  0.7866 -0.4537354     1.105217  
1 1 1 15 9  3  o 69.466  1.3766 1777.36   70.091  1727.43   96.294   1833.63   102.218  68.321  1.9229 70.369  1.9818 -2.047539      2.761414  
1 1 1 15 9  4  o 62.939  1.2529 1458.01   57.796  1478.56   74.238   1426.40   92.090   63.294  1.6002 62.037  2.0253 1.257313       2.581155  
1 1 1 15 9  5  o 22.766  0.5455 190.101   9.1019  180.436   11.291   208.033   15.380   22.173  0.6948 23.799  0.8817 -1.625191      1.122545  
1 1 1 15 9  6  o 13.757  0.5334 69.415    5.3783  73.849    6.8347   62.205    8.7158   14.186  0.6573 12.979  0.9222 1.207026       1.132478  
1 1 1 15 9  7  o 91.473  2.1205 3109.77   142.171 3093.93   174.214  3141.35   245.992  90.911  2.6145 90.653  3.7022 0.2582321      4.532273  
1 1 1 15 9  8  o 25.657  0.5952 241.538   11.192  248.978   16.318   234.929   15.380   26.033  0.8552 25.290  0.8297 0.7433262      1.191556  
1 1 1 15 9  9  o 16.561  0.5515 100.623   6.6939  100.204   10.469   100.912   8.7063   16.490  0.8692 16.578  0.7165 -0.8813858E-01 1.126433  
1 1 1 15 9  10 o 25.907  0.8420 246.641   15.988  275.182   33.453   238.193   18.201   27.204  1.6860 25.448  0.9758 1.756378       1.948066  
1 1 1 15 9  11 o 15.790  0.5181 91.463    5.9957  89.068    8.5150   93.819    8.4439   15.573  0.7460 15.984  0.7208 -0.4110508     1.037314  
1 1 1 15 9  12 o 19.565  0.5701 140.468   8.1753  141.974   11.023   138.626   12.188   19.659  0.7650 19.420  0.8563 0.2390327      1.148211  
1 1 1 15 9  13 o 28.411  1.1001 297.351   22.909  440.445   53.688   265.497   25.331   34.266  2.1485 26.820  1.2886 7.445503       2.505317  
1 1 1 15 9  14 o 25.190  0.8329 233.268   15.378  223.953   31.520   236.177   17.617   24.487  1.7681 25.334  0.9487 -0.8478661     2.006576  
1 1 1 15 9  15 o 19.846  0.7666 144.750   11.152  109.913   17.359   169.230   14.552   17.185  1.3900 21.446  0.9257 -4.260305      1.670078  
1 1 1 15 9  16 o 8.1376  0.8397 24.614    4.9362  25.000    6.8353   24.192    7.1361   8.1475  1.1789 7.9974  1.2590 0.1501274      1.724776  
1 1 1 15 9  17 o 36.779  0.9167 498.144   24.711  530.512   36.810   471.591   33.340   37.855  1.3267 35.705  1.2740 2.149944       1.839313  
1 1 1 15 9  18 o 14.327  0.6054 75.411    6.3568  72.860    9.8345   77.241    8.3311   14.023  0.9626 14.466  0.7887 -0.4424267     1.244474  
1 1 1 15 9  19 o 49.542  1.4625 914.196   53.109  969.733   109.390  897.068   60.748   49.668  3.0191 48.942  1.6934 0.7259178      3.461626  
1 1 1 15 9  20 f 4.5818  1.1906 8.0725    4.0348  12.142    5.8825   4.4569    5.5446   5.6023  1.4283 3.9141  1.4521 1.688264       2.036819  
1 1 1 15 9  21 o 37.628  0.8197 521.772   22.608  492.151   30.659   557.081   33.473   36.448  1.1476 38.767  1.1780 -2.318645      1.644615  
1 1 1 15 10 0  o 6.3832  1.0725 16.161    4.5923  10.067    6.8786   21.062    6.1683   4.3352  1.9845 7.2610  1.2770 0.000000       0.000000  
1 1 1 15 10 1  o 42.412  0.8679 660.703   26.981  701.621   40.086   626.812   36.482   43.652  1.2529 41.266  1.2061 2.385628       1.739099  
1 1 1 15 10 2  f 33.925  0.7128 422.433   17.724  432.084   25.489   413.398   24.663   34.283  1.0144 33.535  1.0034 0.7483749      1.426788  
1 1 1 15 10 3  o 4.0626  1.0485 6.2978    3.1430  2.9933    4.4187   9.6820    4.4716   3.3972  1.2887 5.0286  1.2246 -1.631408      1.777780  
1 1 1 15 10 4  o 29.836  0.6465 326.664   14.138  324.601   17.929   330.055   22.991   29.729  0.8228 29.957  1.0471 -0.2285786     1.331663  
1 1 1 15 10 5  o 41.323  0.8517 627.278   25.796  615.542   32.038   648.911   43.499   40.907  1.0685 41.943  1.4149 -1.035702      1.773082  
1 1 1 15 10 6  o 13.507  0.4942 66.918    4.8924  65.968    6.4368   68.219    7.5287   13.407  0.6550 13.609  0.7578 -0.2024460     1.001628  
1 1 1 15 10 7  o 13.965  0.5061 71.537    5.1799  82.611    7.8607   63.037    6.8867   15.000  0.7150 13.083  0.7209 1.917067       1.015343  
1 1 1 15 10 8  o 52.687  1.0632 1021.75   41.060  1079.78   61.235   974.343   55.346   54.032  1.5462 51.349  1.4705 2.683346       2.133821  
1 1 1 15 10 9  o 42.871  1.0193 676.352   32.028  692.659   56.979   668.821   38.724   43.196  1.7997 42.589  1.2405 0.6069260      2.185792  
1 1 1 15 10 10 o 28.678  0.8928 302.391   18.766  298.954   25.814   306.245   27.331   28.472  1.2370 28.809  1.2943 -0.3365459     1.790350  
1 1 1 15 10 11 o 25.024  0.6383 229.893   11.707  224.911   15.485   236.539   17.886   24.735  0.8541 25.356  0.9624 -0.6208134     1.286785  
1 1 1 15 10 12 o 25.703  0.6037 242.499   11.373  263.896   17.097   225.516   15.233   26.789  0.8707 24.768  0.8391 2.021603       1.209239  
1 1 1 15 10 13 o 22.990  0.7453 194.203   12.559  187.610   15.911   205.099   20.456   22.577  0.9615 23.550  1.1890 -0.9727402     1.529094  
1 1 1 15 10 14 o 25.602  0.7068 240.795   13.262  238.831   19.492   242.488   18.097   25.461  1.0445 25.665  0.9620 -0.2044392     1.420012  
1 1 1 15 10 15 o 17.740  0.5316 115.501   6.9127  114.246   9.7692   116.759   9.7828   17.629  0.7560 17.823  0.7489 -0.1933823     1.064136  
1 1 1 15 10 16 o 17.714  0.5422 115.190   7.0395  126.483   10.492   105.944   9.4937   18.546  0.7718 16.974  0.7631 1.571819       1.085370  
1 1 1 15 10 17 o 38.782  0.8249 553.759   23.447  579.964   34.571   531.437   31.907   39.591  1.1914 37.911  1.1483 1.679653       1.654649  
1 1 1 15 10 18 o 21.035  0.5756 162.569   8.8743  182.447   13.552   147.646   11.742   22.254  0.8308 20.023  0.8001 2.230703       1.153451  
1 1 1 15 10 19 o 14.087  0.7616 73.292    7.8344  70.998    13.164   74.551    9.7490   13.758  1.3217 14.179  0.9434 -0.4213362     1.623855  
1 1 1 15 10 20 o 18.542  0.5612 126.343   7.6269  131.776   11.177   121.608   10.434   18.910  0.8064 18.168  0.7835 0.7413273      1.124351  
1 1 1 15 11 0  o 37.718  1.1027 523.791   30.426  504.660   41.650   545.683   44.554   36.938  1.5445 38.408  1.5888 0.000000       0.000000  
1 1 1 15 11 1  o 47.351  0.9585 824.273   33.267  795.444   45.682   856.823   48.541   46.447  1.3419 48.198  1.3740 -1.751564      1.920570  
1 1 1 15 11 2  o 9.0706  0.6087 30.327    4.0233  25.132    5.1086   38.810    6.5286   8.2262  0.8600 10.240  0.8784 -2.013597      1.229266  
1 1 1 15 11 3  o 67.274  1.3408 1669.13   66.116  1774.78   88.426   1535.17   99.568   69.221  1.7429 64.219  2.1153 5.002594       2.740829  
1 1 1 15 11 4  o 19.840  0.5036 144.386   7.3238  136.155   9.0885   159.630   12.369   19.260  0.6438 20.846  0.8095 -1.585276      1.034295  
1 1 1 15 11 5  o 44.784  0.9116 737.336   29.923  754.923   38.717   711.251   47.153   45.270  1.1668 43.876  1.4662 1.394127       1.873870  
1 1 1 15 11 6  o 16.177  0.4894 96.003    5.8030  88.025    7.2793   109.915   9.6120   15.485  0.6413 17.298  0.7581 -1.813048      0.9929890 
1 1 1 15 11 7  o 23.550  0.5571 203.518   9.6157  202.386   13.700   204.617   13.500   23.469  0.7964 23.599  0.7804 -0.1302261     1.115065  
1 1 1 15 11 8  f 21.114  0.5351 163.568   8.2811  149.819   11.277   179.658   12.199   20.194  0.7619 22.115  0.7526 -1.920431      1.070943  
1 1 1 15 11 9  o 26.795  0.8592 263.969   16.874  297.923   35.908   254.345   19.117   28.276  1.7411 26.288  0.9921 1.987440       2.003889  
1 1 1 15 11 10 o 8.2812  0.7063 25.371    4.2460  25.970    5.5930   24.557    6.5234   8.3508  0.9295 8.0855  1.1318 0.2652960      1.464553  
1 1 1 15 11 11 o 25.819  0.6018 244.717   11.388  236.188   15.750   254.061   16.486   25.344  0.8479 26.285  0.8557 -0.9406166     1.204620  
1 1 1 15 11 12 o 31.656  0.6930 368.117   16.080  391.826   23.952   348.664   21.695   32.618  1.0018 30.775  0.9618 1.843054       1.388781  
1 1 1 15 11 13 o 40.678  1.0881 610.044   32.442  569.974   39.380   694.678   57.233   39.252  1.3688 43.183  1.8082 -3.931297      2.267875  
1 1 1 15 11 14 o 16.816  0.6004 103.834   7.4006  113.301   11.623   97.379    9.5973   17.520  0.9083 16.272  0.8047 1.248285       1.213447  
1 1 1 15 11 15 o 23.500  0.5839 202.802   10.057  238.146   15.962   179.538   12.950   25.436  0.8562 22.092  0.7998 3.344467       1.171631  
1 1 1 15 11 16 o 9.0135  0.6565 30.020    4.3074  30.419    6.1911   29.645    5.9967   9.0337  0.9492 8.9198  0.9309 0.1139011      1.329535  
1 1 1 15 11 17 o 13.243  0.5461 64.417    5.3007  61.345    7.6302   67.283    7.3694   12.880  0.8124 13.500  0.7477 -0.6202106     1.104107  
1 1 1 15 11 18 o 23.684  0.6461 206.307   11.216  210.036   17.721   203.814   14.488   23.836  1.0143 23.512  0.8407 0.3237953      1.317411  
1 1 1 15 11 19 o 27.862  0.6552 285.597   13.381  283.162   18.989   287.999   18.858   27.688  0.9357 27.927  0.9213 -0.2388363     1.313139  
1 1 1 15 12 0  o 31.432  0.9509 363.722   21.863  342.227   29.413   390.259   32.681   30.419  1.3250 32.483  1.3783 0.000000       0.000000  
1 1 1 15 12 1  o 20.254  0.5064 150.490   7.5178  158.928   10.940   142.941   10.348   20.803  0.7175 19.729  0.7156 1.073860       1.013370  
1 1 1 15 12 2  o 18.946  0.4979 131.688   6.9146  138.189   10.039   125.820   9.5375   19.398  0.7061 18.510  0.7030 0.8883610      0.9963601 
1 1 1 15 12 3  o 30.467  0.6572 340.788   14.677  349.900   19.136   327.770   22.872   30.853  0.8462 29.838  1.0458 1.015209       1.345292  
1 1 1 15 12 4  o 18.546  0.4982 126.189   6.7721  136.106   9.1627   114.250   10.054   19.254  0.6493 17.634  0.7779 1.620424       1.013217  
1 1 1 15 12 5  o 10.377  0.5268 39.611    3.9937  46.530    5.4694   31.709    5.8451   11.237  0.6670 9.2459  0.8728 1.991409       1.098538  
1 1 1 15 12 6  o 11.834  0.4989 51.379    4.3278  53.882    5.8591   48.374    6.4201   12.096  0.6634 11.448  0.7696 0.6472664      1.016049  
1 1 1 15 12 7  o 14.048  0.4928 72.406    5.0742  69.075    7.1642   75.758    7.1879   13.695  0.7162 14.363  0.6828 -0.6681585     0.9895372 
1 1 1 15 12 8  o 28.474  0.6822 297.769   14.237  303.410   22.586   294.050   18.340   28.697  1.0738 28.275  0.8849 0.4221535      1.391426  
1 1 1 15 12 9  o 22.551  0.6920 186.794   11.437  206.466   19.022   175.656   14.314   23.668  1.0965 21.851  0.8937 1.816315       1.414606  
1 1 1 15 12 10 o 27.513  0.6247 277.939   12.598  295.450   18.699   263.387   17.047   28.337  0.9003 26.759  0.8691 1.578108       1.251379  
1 1 1 15 12 11 o 37.868  0.7946 527.241   22.054  513.663   30.542   542.034   31.880   37.319  1.1166 38.332  1.1347 -1.012779      1.591934  
1 1 1 15 12 12 o 46.187  0.9474 785.524   32.074  818.650   47.137   756.963   43.769   47.031  1.3674 45.239  1.3200 1.791489       1.900582  
1 1 1 15 12 13 o 19.775  0.7179 143.743   10.406  166.792   14.728   120.762   14.706   21.279  0.9443 18.054  1.1168 3.224874       1.462474  
1 1 1 15 12 14 o 5.6880  1.0929 12.341    4.3909  8.6471    6.7991   14.984    5.7510   4.9247  1.6236 6.2483  1.2982 -1.323542      2.078780  
1 1 1 15 12 15 o 19.598  0.5462 141.053   7.8453  141.806   11.161   140.317   11.030   19.629  0.7758 19.526  0.7707 0.1027966      1.093531  
1 1 1 15 12 16 o 19.231  0.5516 135.873   7.7760  137.641   11.252   134.257   10.758   19.331  0.7941 19.095  0.7687 0.2360516      1.105233  
1 1 1 15 12 17 o 20.704  0.5666 157.534   8.5987  150.303   12.120   164.862   12.201   20.192  0.8189 21.152  0.7870 -0.9601231     1.135760  
1 1 1 15 12 18 o 17.892  0.7699 117.967   10.096  109.217   17.150   122.608   12.490   17.057  1.3837 18.192  0.9399 -1.134462      1.672725  
1 1 1 15 13 0  o 8.3445  0.8584 26.360    5.1228  27.371    7.7242   25.566    6.8448   8.3025  1.3852 8.0666  1.2462 0.000000       0.000000  
1 1 1 15 13 1  f 19.383  0.5016 137.845   7.1263  123.743   9.4999   155.992   10.777   18.354  0.7061 20.607  0.7135 -2.252827      1.003850  
1 1 1 15 13 2  o 19.931  0.5132 145.754   7.4964  144.859   9.6689   147.103   11.869   19.861  0.6642 20.005  0.8095 -0.1434135     1.047101  
1 1 1 15 13 3  o 15.778  0.4841 91.335    5.5982  82.644    7.0189   106.531   9.2807   15.003  0.6383 17.028  0.7436 -2.025012      0.9799866 
1 1 1 15 13 4  o 32.034  0.6827 376.905   16.029  370.647   20.093   387.858   26.581   31.746  0.8635 32.437  1.1180 -0.6904221     1.412670  
1 1 1 15 13 5  o 19.588  0.5120 140.792   7.3515  132.068   9.1652   156.531   12.310   18.964  0.6594 20.634  0.8140 -1.670635      1.047522  
1 1 1 15 13 6  o 10.690  0.5240 41.938    4.1056  44.884    5.6447   38.630    5.9825   11.031  0.7018 10.219  0.8052 0.8120251      1.068110  
1 1 1 15 13 7  o 24.357  0.5744 217.783   10.255  220.543   14.790   215.227   14.232   24.490  0.8240 24.195  0.8025 0.2948532      1.150195  
1 1 1 15 13 8  o 29.532  0.8204 320.719   17.759  317.079   38.421   321.708   20.027   29.118  1.8092 29.564  0.9242 -0.4453812     2.031560  
1 1 1 15 13 9  o 37.031  0.8985 504.711   24.386  501.353   34.267   508.158   34.711   36.829  1.2694 37.076  1.2773 -0.2471428     1.800806  
1 1 1 15 13 10 o 3.5454  1.1773 4.3975    3.5722  -1.9455   5.1876   10.118    4.9263   2.8148  1.2517 5.1326  1.3062 -2.317857      1.809159  
1 1 1 15 13 11 o 21.469  0.5529 169.218   8.7000  175.139   12.709   163.996   11.935   21.821  0.7946 21.118  0.7710 0.7033310      1.107212  
1 1 1 15 13 12 o 27.722  0.6411 282.361   13.027  296.567   19.156   270.139   17.767   28.373  0.9211 27.083  0.8950 1.289732       1.284336  
1 1 1 15 13 13 f 23.013  0.7524 194.818   12.691  204.249   16.854   182.467   19.288   23.533  0.9771 22.178  1.1909 1.355099       1.540396  
1 1 1 15 13 14 o 25.842  0.7065 245.669   13.383  232.130   18.724   259.811   19.135   25.069  1.0190 26.529  0.9841 -1.459621      1.416629  
1 1 1 15 13 15 o 18.207  0.5362 121.784   7.1561  116.701   10.053   127.005   10.189   17.800  0.7705 18.572  0.7485 -0.7718163     1.074215  
1 1 1 15 13 16 o 4.5187  1.1569 7.8619    3.8480  2.5003    5.5380   12.867    5.3505   3.5567  1.4159 5.7699  1.2968 -2.213190      1.919988  
1 1 1 15 13 17 o 11.906  0.5762 52.122    5.0283  43.150    7.0327   61.506    7.1921   10.772  0.8990 12.896  0.7643 -2.124039      1.179973  
1 1 1 15 13 18 o 20.834  0.7919 160.049   12.092  150.891   21.279   164.417   14.696   20.034  1.4591 21.088  0.9508 -1.053951      1.741553  
1 1 1 15 14 0  o 19.880  0.7211 145.607   10.477  139.725   14.753   151.590   14.880   19.416  1.0436 20.237  1.0089 0.000000       0.000000  
1 1 1 15 14 1  o 38.802  0.8631 553.875   24.546  579.635   33.631   524.511   35.906   39.634  1.1577 37.668  1.3005 1.965366       1.741151  
1 1 1 15 14 2  o 32.265  0.6895 382.450   16.306  371.681   20.256   402.275   27.483   31.784  0.8695 33.021  1.1355 -1.236986      1.430160  
1 1 1 15 14 3  o 5.9667  0.7786 13.308    3.3238  14.247    4.6593   12.336    4.7431   6.1280  1.0766 5.6778  1.1783 0.4502535      1.596104  
1 1 1 15 14 4  o 13.221  0.4869 64.141    4.7185  61.859    6.2156   67.245    7.2488   12.961  0.6564 13.507  0.7350 -0.5460262     0.9854410 
1 1 1 15 14 5  o 32.467  0.6952 387.296   16.545  396.157   21.459   374.310   25.978   32.808  0.8924 31.854  1.1127 0.9549484      1.426320  
1 1 1 15 14 6  o 4.0942  1.0803 6.4040    3.2890  10.535    4.5510   1.8873    4.7586   5.2374  1.2099 3.2642  1.3081 1.973214       1.781842  
1 1 1 15 14 7  o 8.9541  0.6555 29.610    4.2724  29.659    7.2926   29.585    5.2718   8.8915  1.1456 8.9316  0.8142 -0.4011154E-01 1.405507  
1 1 1 15 14 8  o 14.963  0.7014 82.286    7.6927  118.837   17.250   73.213    8.5947   17.870  1.3265 14.081  0.8365 3.788523       1.568179  
1 1 1 15 14 9  o 13.932  0.5153 71.242    5.2619  76.034    7.6686   66.978    7.2334   14.363  0.7309 13.477  0.7350 0.8852024      1.036535  
1 1 1 15 14 10 o 16.059  0.5111 94.663    6.0156  98.338    8.8303   91.481    8.2174   16.353  0.7367 15.774  0.7107 0.5785580      1.023668  
1 1 1 15 14 11 o 24.843  0.5936 226.717   10.808  247.225   16.327   210.717   14.421   25.909  0.8597 23.924  0.8224 1.984369       1.189728  
1 1 1 15 14 12 o 29.831  0.6752 327.216   14.764  342.313   21.958   314.758   19.946   30.455  0.9837 29.214  0.9315 1.240858       1.354762  
1 1 1 15 14 13 o 19.902  0.7152 145.768   10.432  146.418   13.909   144.933   15.772   19.914  0.9530 19.760  1.0932 0.1537056      1.450287  
1 1 1 15 14 14 o 3.3090  1.2533 2.9285    4.1750  12.577    6.8456   -2.7858   5.2683   5.7074  1.5817 2.7317  1.2342 2.975673       2.006268  
1 1 1 15 14 15 o 11.124  0.5831 45.623    4.7381  54.568    7.0747   38.348    6.3804   12.139  0.7996 10.156  0.8653 1.982478       1.178223  
1 1 1 15 14 16 o 22.381  0.5861 184.227   9.6154  193.167   13.966   176.170   13.258   22.876  0.8329 21.848  0.8279 1.028681       1.174397  
1 1 1 15 14 17 o 20.312  0.6156 151.792   9.1650  159.003   14.868   147.373   11.640   20.728  0.9786 19.989  0.7945 0.7393532      1.260487  
1 1 1 15 15 0  o 31.333  0.9602 361.762   22.006  337.121   29.585   392.276   32.923   30.162  1.3443 32.539  1.3861 0.000000       0.000000  
1 1 1 15 15 1  o 23.289  0.5477 199.109   9.3495  198.068   11.944   200.755   15.025   23.215  0.7019 23.353  0.8778 -0.1381855     1.123920  
1 1 1 15 15 2  o 33.002  0.7011 400.281   16.958  404.690   21.799   393.525   26.987   33.153  0.8971 32.648  1.1278 0.5048103      1.441067  
1 1 1 15 15 3  o 7.5690  0.6341 21.192    3.4856  15.048    4.6540   29.042    5.2603   6.3058  1.0434 8.8469  0.8206 -2.541178      1.327436  
1 1 1 15 15 4  o 15.821  0.4819 91.854    5.5885  89.971    7.3123   94.499    8.6654   15.649  0.6375 16.032  0.7374 -0.3823900     0.9747859 
1 1 1 15 15 5  o 21.284  0.5321 166.301   8.3009  173.633   11.075   156.901   12.540   21.735  0.6952 20.649  0.8285 1.086365       1.081550  
1 1 1 15 15 6  o 16.256  0.4979 96.989    5.9319  88.670    7.5731   110.196   9.5421   15.534  0.6651 17.310  0.7521 -1.776619      1.004008  
1 1 1 15 15 7  o 7.1897  0.8266 19.274    4.2770  26.129    8.6491   17.056    4.9207   8.2657  1.4821 6.7231  1.0315 1.542623       1.805687  
1 1 1 15 15 8  o 13.750  0.6174 69.461    6.2224  68.513    9.2212   70.253    8.4314   13.602  0.9305 13.788  0.8383 -0.1857395     1.252393  
1 1 1 15 15 9  o 27.913  0.6405 286.367   13.105  263.713   17.643   314.254   19.574   26.749  0.8999 29.197  0.9147 -2.448229      1.283109  
1 1 1 15 15 10 o 24.498  0.5856 220.501   10.514  235.199   15.707   208.567   14.153   25.265  0.8482 23.797  0.8114 1.467993       1.173769  
1 1 1 15 15 11 o 21.101  0.5499 163.592   8.5042  161.733   12.119   165.396   11.937   20.953  0.7891 21.192  0.7685 -0.2387524     1.101478  
1 1 1 15 15 12 o 40.035  0.8405 591.163   24.663  584.763   34.595   597.777   35.168   39.692  1.1892 40.128  1.1957 -0.4364471     1.686352  
1 1 1 15 15 13 o 15.696  0.7001 90.720    8.0543  89.193    10.606   92.800    12.379   15.506  0.9376 15.788  1.0762 -0.2817526     1.427345  
1 1 1 15 15 14 o 7.9383  0.8197 23.499    4.7005  25.131    7.4313   22.411    6.0688   8.1151  1.2927 7.6949  1.1079 0.4201212      1.702570  
1 1 1 15 15 15 o 7.5648  0.7448 21.299    4.0759  17.946    5.8023   24.566    5.7269   6.8486  1.1996 8.0864  0.9867 -1.237815      1.553251  
1 1 1 15 16 0  o 17.945  0.7052 118.746   9.2430  87.550    15.158   137.213   11.662   15.225  1.3847 19.275  0.8290 0.000000       0.000000  
1 1 1 15 16 1  o 17.330  0.4877 110.231   6.1943  114.151   8.1937   105.004   9.4631   17.625  0.6342 16.895  0.7642 0.7309666      0.9931080 
1 1 1 15 16 2  o 27.279  0.6119 273.394   12.235  286.918   16.248   255.682   18.594   27.922  0.7939 26.332  0.9634 1.589609       1.248359  
1 1 1 15 16 3  f 17.484  0.4923 112.215   6.3085  106.172   8.0463   121.854   10.163   16.997  0.6459 18.199  0.7619 -1.202023      0.9988215 
1 1 1 15 16 4  o 11.150  0.5041 45.642    4.1197  43.843    5.5817   47.795    6.1057   10.897  0.7026 11.375  0.7363 -0.4785500     1.017714  
1 1 1 15 16 5  o 6.0068  0.8622 13.561    3.6873  7.8888    5.5964   17.912    4.9018   4.6381  1.4685 6.8967  0.9988 -2.258661      1.775966  
1 1 1 15 16 6  o 27.504  0.6678 278.132   13.461  260.524   20.118   292.407   18.114   26.559  1.0335 28.168  0.8774 -1.608742      1.355654  
1 1 1 15 16 7  o 25.482  0.8329 239.227   15.556  265.724   32.793   231.534   17.670   26.588  1.6915 25.047  0.9625 1.541552       1.946185  
1 1 1 15 16 8  o 20.103  0.5859 148.522   8.6338  142.736   11.411   156.269   13.205   19.686  0.7908 20.586  0.8751 -0.9005184     1.179531  
1 1 1 15 16 9  o 7.2067  0.7102 19.301    3.7026  13.293    5.2956   25.048    5.1789   5.8713  1.2677 8.1938  0.8759 -2.322480      1.540848  
1 1 1 15 16 10 o 4.3301  1.1325 7.2089    3.6353  11.135    5.2373   3.5584    5.0499   5.3632  1.3370 3.6356  1.3780 1.727646       1.920033  
1 1 1 15 16 11 o 20.017  0.5470 147.284   8.0256  146.861   11.459   147.692   11.244   19.956  0.7834 20.015  0.7664 -0.5903053E-01 1.095976  
1 1 1 15 16 12 o 18.455  0.5483 125.217   7.4160  118.007   10.329   132.888   10.654   17.885  0.7879 18.982  0.7658 -1.097679      1.098747  
1 1 1 15 16 13 f 22.008  0.7465 178.634   12.042  188.096   16.272   167.181   17.904   22.530  0.9854 21.167  1.1584 1.363840       1.520813  
1 1 1 15 16 14 f 11.977  0.6560 52.985    5.7366  54.111    9.0306   52.224    7.4278   12.035  1.0338 11.857  0.8606 0.1780310      1.345120  
1 1 1 15 17 0  o 4.1419  1.5732 8.5707    4.4880  -1.0911   8.4320   12.390    5.3014   2.6595  1.7415 5.1946  1.5928 0.000000       0.000000  
1 1 1 15 17 1  o 11.261  0.5122 46.573    4.2279  47.953    5.9881   45.201    5.9701   11.393  0.7208 11.057  0.7409 0.3355932      1.033716  
1 1 1 15 17 2  o 10.952  0.5163 44.053    4.1446  43.858    5.5373   44.302    6.2499   10.896  0.6970 10.940  0.7847 -0.4367161E-01 1.049506  
1 1 1 15 17 3  o 13.342  0.4905 65.365    4.7966  73.745    6.7237   56.682    6.8448   14.161  0.6478 12.385  0.7577 1.776555       0.9968617 
1 1 1 15 17 4  o 25.283  0.5851 234.939   10.843  250.242   14.649   216.393   16.127   26.067  0.7667 24.216  0.9086 1.850960       1.188857  
1 1 1 15 17 5  o 22.399  0.5526 184.366   9.0725  191.134   12.026   175.425   13.821   22.786  0.7201 21.807  0.8647 0.9782047      1.125268  
1 1 1 15 17 6  o 20.479  0.5909 154.198   8.8699  142.876   13.860   162.051   11.543   19.661  0.9618 20.973  0.7509 -1.312662      1.220219  
1 1 1 15 17 7  o 27.768  0.7881 284.309   16.041  293.503   25.609   278.372   20.578   28.087  1.2439 27.420  1.0239 0.6672821      1.611132  
1 1 1 15 17 8  o 15.381  0.5144 86.940    5.7995  90.534    8.4770   83.778    7.9517   15.673  0.7379 15.079  0.7194 0.5940580      1.030585  
1 1 1 15 17 9  o 14.881  0.5140 81.390    5.6065  89.168    8.4385   75.244    7.5014   15.552  0.7403 14.271  0.7195 1.281199       1.032310  
1 1 1 15 17 10 o 8.1997  0.7057 24.960    4.2001  27.082    5.9444   22.845    5.9353   8.4972  0.9719 7.7749  1.0699 0.7222800      1.445437  
1 1 1 15 17 11 o 26.579  0.8281 261.034   16.133  263.087   20.786   257.924   25.587   26.613  1.0656 26.218  1.3359 0.3946381      1.708886  
1 1 1 15 17 12 o 5.8057  1.0182 12.863    4.1747  12.996    5.6063   12.699    6.2544   5.7786  1.3483 5.7048  1.4823 0.7376862E-01  2.003781  
1 1 1 15 17 13 o 2.7410  1.1999 -0.9645   4.5935  -2.8880   5.5441   3.2474    8.2039   2.7987  1.2652 4.2291  1.7095 -1.430363      2.126746  
1 1 1 15 18 0  o 12.317  0.7009 56.272    6.2808  48.340    11.689   59.492    7.4472   11.132  1.5113 12.642  0.8113 0.000000       0.000000  
1 1 1 15 18 1  o 13.326  0.4920 65.242    4.8053  70.872    7.1134   60.516    6.5171   13.853  0.7029 12.799  0.6973 1.054045       0.9900788 
1 1 1 15 18 2  o 24.971  0.5880 229.345   10.761  230.819   13.863   227.111   17.070   25.021  0.7559 24.779  0.9399 0.2420273      1.206136  
1 1 1 15 18 3  o 29.358  0.6509 317.295   14.006  317.277   17.878   317.324   22.537   29.316  0.8320 29.254  1.0511 0.6145859E-01  1.340514  
1 1 1 15 18 4  o 3.2631  1.1393 3.5322    3.3525  1.9968    4.7221   5.0925    4.7603   3.2592  1.3041 3.8945  1.3578 -0.6353252     1.882624  
1 1 1 15 18 5  o 25.790  0.6965 245.094   13.166  234.138   18.807   255.623   18.437   25.129  1.0211 26.275  0.9573 -1.146130      1.399688  
1 1 1 15 18 6  o 26.676  1.2144 265.265   23.745  0.0000    0.0000   265.265   23.745   ?       ?      26.676  1.2144 0.000000       1.214427  
1 1 1 15 18 7  o 19.838  0.7578 145.230   11.019  143.821   14.928   146.918   16.334   19.656  1.0399 19.840  1.1279 -0.1841621     1.534072  
1 1 1 15 18 8  o 7.1968  0.7464 19.314    3.8798  16.106    5.8262   21.870    5.2007   6.4569  1.2763 7.6252  0.9512 -1.168301      1.591798  
1 1 1 15 18 9  o 14.421  0.5285 76.490    5.5859  80.186    8.1807   73.262    7.6457   14.718  0.7610 14.069  0.7441 0.6483507      1.064279  
1 1 1 15 18 10 o 10.111  0.5941 37.767    4.3835  37.353    6.1870   38.184    6.2116   10.013  0.8511 10.126  0.8446 -0.1127205     1.199042  
1 1 1 15 18 11 f 3.4457  1.1939 4.0128    3.6780  -3.6196   5.2763   11.227    5.1296   2.6334  1.2072 5.3704  1.3139 -2.737068      1.784327  
1 1 1 15 19 0  o 4.0337  2.2508 8.4735    9.9182  8.4735    9.9182   0.0000    0.0000   4.0337  2.2508 4.0337  2.2508 0.000000       0.000000  
1 1 1 15 19 1  o 12.926  0.6125 61.531    5.8028  60.226    8.1801   62.854    8.2330   12.726  0.8824 13.005  0.8687 -0.2787447     1.238286  
1 1 1 15 19 2  o 16.669  0.5536 102.239   6.7636  106.468   9.2040   97.274    9.9726   16.984  0.7393 16.196  0.8430 0.7883129      1.121268  
1 1 1 15 19 3  o 13.345  0.5153 65.489    5.0403  71.051    6.9326   59.252    7.3410   13.882  0.6814 12.638  0.7965 1.243269       1.048200  
1 1 1 15 19 4  o 14.548  0.5133 77.841    5.4739  77.131    7.3261   78.737    8.2360   14.461  0.6912 14.580  0.7735 -0.1181307     1.037288  
1 1 1 15 19 5  o 16.241  0.5990 97.135    7.1304  91.399    11.031   101.252   9.3455   15.665  0.9654 16.555  0.7702 -0.8903990     1.235004  
1 1 1 15 19 6  o 21.797  0.7839 175.619   12.523  180.432   25.204   174.041   14.431   21.756  1.5916 21.668  0.9087 0.8779716E-01  1.832742  
1 1 1 15 19 7  o 3.3596  1.2018 3.6223    3.7485  -2.1935   5.6916   8.0772    4.9814   2.9180  1.3034 4.6017  1.3728 -1.683718      1.893037  
1 1 1 15 19 8  o 11.446  0.5877 48.371    4.9142  46.840    7.5107   49.517    6.4982   11.203  0.9229 11.551  0.7720 -0.3484421     1.203220  
1 1 1 15 20 0  o 2.6628  1.5457 3.2597    4.9420  2.9440    9.2484   3.3859    5.8468   3.1961  1.9812 2.8064  1.6572 0.000000       0.000000  
1 1 1 15 20 1  o 26.464  0.6146 258.117   11.921  259.515   17.037   256.776   16.688   26.457  0.8785 26.322  0.8650 0.1353302      1.232880  
1 1 1 15 20 2  o 13.396  0.5144 66.025    5.0508  65.084    7.3827   66.854    6.9250   13.247  0.7636 13.438  0.7056 -0.1911058     1.039660  
1 1 1 15 20 3  o 7.8041  0.6871 22.648    3.8900  23.820    5.8370   21.712    5.2176   7.9364  1.0275 7.5871  0.9597 0.3493090      1.406017  
1 1 1 15 20 4  o 9.8316  0.5955 35.739    4.2714  36.394    6.0437   35.086    6.0376   9.8784  0.8428 9.6948  0.8585 0.1836452      1.203059  
1 1 1 15 20 5  o 21.563  0.6951 171.623   10.986  150.652   23.126   177.734   12.484   19.840  1.6040 21.924  0.7769 -2.083477      1.782232  
1 1 1 16 0  0  o 22.921  1.0757 193.914   17.980  201.238   26.267   187.457   24.664   23.264  1.5565 22.451  1.5146 0.000000       0.000000  
1 1 1 16 0  1  o 12.053  0.7005 53.806    6.1405  65.251    9.2848   44.908    8.1865   13.232  0.9693 10.916  1.0452 0.000000       0.000000  
1 1 1 16 0  2  o 17.088  0.6933 107.594   8.6505  102.849   12.064   112.615   12.411   16.655  0.9964 17.439  0.9780 0.000000       0.000000  
1 1 1 16 0  3  o 30.493  0.9402 342.058   20.968  392.144   33.236   308.944   27.024   32.587  1.3973 28.924  1.2804 0.000000       0.000000  
1 1 1 16 0  4  o 25.003  0.9422 230.307   17.211  201.650   26.518   251.167   22.624   23.267  1.5714 26.077  1.1893 0.000000       0.000000  
1 1 1 16 0  5  f 28.853  0.8945 306.271   18.875  305.864   26.795   306.672   26.593   28.777  1.2761 28.817  1.2646 0.000000       0.000000  
1 1 1 16 0  6  o 58.154  1.6500 1246.73   70.203  1261.69   100.112  1232.26   98.473   58.328  2.3504 57.644  2.3394 0.000000       0.000000  
1 1 1 16 0  7  o 31.346  1.3785 363.104   31.531  329.536   39.846   419.338   51.573   29.748  1.8437 33.526  2.1181 0.000000       0.000000  
1 1 1 16 0  8  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 16 0  9  o 16.654  0.9881 102.859   11.963  0.0000    0.0000   102.859   11.963   16.654  0.9881 16.654  0.9881 0.000000       0.000000  
1 1 1 16 0  10 o 3.0713  1.6326 4.9892    4.9650  0.7702    8.2846   7.3538    6.2022   2.8403  1.8085 3.6862  1.8577 0.000000       0.000000  
1 1 1 16 0  11 o 67.275  1.9022 1673.38   93.630  1807.19   200.375  1636.01   105.903  68.916  3.9976 66.426  2.1805 0.000000       0.000000  
1 1 1 16 0  12 o 52.213  1.5227 1005.93   58.163  842.188   96.266   1100.06   72.993   47.357  2.7957 54.528  1.8310 0.000000       0.000000  
1 1 1 16 0  13 o 10.952  0.8241 44.761    6.5296  56.788    11.657   39.261    7.8822   12.212  1.3439 10.168  1.0891 0.000000       0.000000  
1 1 1 16 0  14 o 33.622  1.1850 416.990   29.119  412.610   48.727   419.423   36.318   33.238  2.0171 33.659  1.4786 0.000000       0.000000  
1 1 1 16 0  15 o 22.294  0.8233 183.160   13.412  243.992   30.230   168.253   14.965   25.577  1.6276 21.341  0.9612 0.000000       0.000000  
1 1 1 16 0  16 o 19.940  0.7733 146.561   11.263  147.220   20.602   146.281   13.450   19.844  1.4337 19.895  0.9270 0.000000       0.000000  
1 1 1 16 0  17 o 16.447  0.7456 99.879    8.9461  115.146   17.152   94.174    10.485   17.531  1.3534 15.938  0.9042 0.000000       0.000000  
1 1 1 16 0  18 o 21.078  0.8004 163.827   12.326  145.367   20.740   173.907   15.326   19.698  1.4548 21.690  0.9684 0.000000       0.000000  
1 1 1 16 0  19 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 16 0  20 o 20.053  0.7908 148.405   11.582  153.441   21.292   146.289   13.802   20.230  1.4532 19.878  0.9523 0.000000       0.000000  
1 1 1 16 0  21 o 31.452  1.1493 365.860   26.416  321.232   39.501   401.967   35.530   29.237  1.8606 32.879  1.4812 0.000000       0.000000  
1 1 1 16 1  0  o 17.607  0.7986 114.384   10.257  121.216   13.013   103.173   16.669   18.097  0.9878 16.589  1.3935 0.000000       0.000000  
1 1 1 16 1  1  o 66.789  1.3247 1640.87   64.848  1625.37   90.906   1656.92   92.534   66.352  1.8692 66.989  1.8846 -0.6368942     2.654347  
1 1 1 16 1  2  o 26.432  0.5912 256.237   11.453  261.351   16.459   251.436   15.948   26.684  0.8415 26.174  0.8313 0.5105820      1.182882  
1 1 1 16 1  3  o 11.419  0.5044 47.811    4.2214  53.470    6.1245   42.690    5.8265   12.052  0.6963 10.761  0.7433 1.291691       1.018461  
1 1 1 16 1  4  o 28.759  0.6319 303.388   13.320  301.540   18.714   305.286   18.963   28.658  0.8909 28.835  0.8972 -0.1771126     1.264405  
1 1 1 16 1  5  o 35.256  0.7439 456.142   19.223  463.059   27.287   449.328   27.085   35.499  1.0487 34.968  1.0568 0.5310287      1.488827  
1 1 1 16 1  6  o 15.212  0.4864 84.858    5.4228  81.724    7.5457   88.205    7.7986   14.924  0.6898 15.504  0.6862 -0.5805159     0.9730289 
1 1 1 16 1  7  o 28.156  0.8949 291.173   18.468  286.602   25.808   295.969   26.438   27.903  1.2619 28.355  1.2721 -0.4512653     1.791816  
1 1 1 16 1  8  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 16 1  9  o 40.507  1.1863 603.946   35.222  665.896   54.144   558.500   46.375   42.429  1.7411 38.880  1.6274 3.549068       2.383191  
1 1 1 16 1  10 o 41.476  0.8651 632.040   26.299  621.454   36.510   643.456   37.914   41.078  1.2126 41.794  1.2377 -0.7165260     1.732703  
1 1 1 16 1  11 o 17.617  0.5222 113.856   6.7431  114.289   9.5226   113.420   9.5499   17.642  0.7364 17.575  0.7414 0.6747437E-01  1.044946  
1 1 1 16 1  12 o 36.184  0.7698 480.876   20.416  489.819   29.336   472.478   28.431   36.477  1.0972 35.828  1.0826 0.6494217      1.541453  
1 1 1 16 1  13 o 35.275  0.7571 457.030   19.574  431.999   26.400   487.586   29.169   34.260  1.0513 36.391  1.0936 -2.131084      1.516976  
1 1 1 16 1  14 o 23.029  0.5720 194.620   9.6550  182.309   13.164   208.955   14.204   22.274  0.8063 23.846  0.8127 -1.571804      1.144791  
1 1 1 16 1  15 o 26.172  0.6123 251.429   11.745  254.183   16.692   248.729   16.529   26.293  0.8661 26.010  0.8670 0.2837048      1.225520  
1 1 1 16 1  16 f 29.806  0.6707 326.256   14.653  324.156   20.681   328.372   20.764   29.679  0.9507 29.872  0.9484 -0.1926689     1.342856  
1 1 1 16 1  17 o 17.861  0.5345 117.084   6.9970  112.776   9.7647   121.630   10.031   17.516  0.7606 18.192  0.7523 -0.6751785     1.069789  
1 1 1 16 1  18 o 23.853  0.6353 209.017   11.108  192.660   13.878   238.175   18.529   22.882  0.8275 25.419  0.9945 -2.536980      1.293717  
1 1 1 16 1  19 o 7.7964  2.7777 20.802    20.005  0.0000    0.0000   20.802    20.005   ?       ?      7.7964  2.7777 0.000000       2.777676  
1 1 1 16 1  20 o 25.614  0.6272 241.153   11.775  246.250   16.734   236.155   16.572   25.846  0.8833 25.309  0.8933 0.5369930      1.256312  
1 1 1 16 1  21 o 24.099  0.6102 213.457   10.777  220.787   15.432   206.478   15.058   24.474  0.8603 23.666  0.8681 0.8076115      1.222148  
1 1 1 16 2  0  o 27.291  1.0055 274.369   20.051  246.342   22.220   397.300   46.535   25.827  1.1794 32.684  1.9586 0.000000       0.000000  
1 1 1 16 2  1  o 30.173  0.6516 333.952   14.410  333.553   20.320   334.356   20.438   30.141  0.9198 30.177  0.9240 -0.3599548E-01 1.303786  
1 1 1 16 2  2  o 20.122  0.5095 148.478   7.5146  158.040   10.965   140.008   10.319   20.754  0.7208 19.534  0.7207 1.219891       1.019291  
1 1 1 16 2  3  o 46.700  0.9463 800.864   32.392  815.172   46.720   787.620   44.949   47.065  1.3543 46.267  1.3255 0.7981720      1.895010  
1 1 1 16 2  4  o 12.556  0.4848 57.807    4.4611  55.284    6.2757   60.385    6.3429   12.255  0.7016 12.811  0.6779 -0.5564032     0.9755697 
1 1 1 16 2  5  o 59.819  1.2025 1316.15   52.722  1273.22   72.701   1363.78   76.570   58.732  1.6888 60.777  1.7188 -2.045052      2.409682  
1 1 1 16 2  6  o 28.157  0.7203 290.955   14.866  278.353   20.586   304.688   21.490   27.521  1.0205 28.794  1.0183 -1.272652      1.441636  
1 1 1 16 2  7  o 60.262  1.7086 1341.91   75.469  1308.75   104.271  1378.40   109.371  59.277  2.3999 60.812  2.4538 -1.534828      3.432307  
1 1 1 16 2  8  o 28.014  1.7647 291.378   36.050  291.378   36.050   0.0000    0.0000   28.014  1.7647 ?       ?      0.000000       1.764738  
1 1 1 16 2  9  o 4.1410  1.2607 6.3351    4.1695  16.472    6.4046   -1.1215   5.4929   6.5634  1.3753 3.0202  1.3174 3.543230       1.904467  
1 1 1 16 2  10 o 36.444  0.7740 487.758   20.674  525.247   31.030   457.833   27.724   37.776  1.1207 35.275  1.0723 2.500957       1.551038  
1 1 1 16 2  11 o 26.852  0.6202 264.615   12.206  255.116   16.867   275.059   17.686   26.348  0.8734 27.357  0.8820 -1.009686      1.241271  
1 1 1 16 2  12 o 31.998  0.6955 375.912   16.311  378.094   23.153   373.762   22.983   32.061  0.9853 31.877  0.9837 0.1840115      1.392244  
1 1 1 16 2  13 o 44.657  0.9222 733.297   30.186  809.524   46.454   677.589   39.713   46.830  1.3534 42.864  1.2640 3.966087       1.851852  
1 1 1 16 2  14 o 15.781  0.5245 91.369    6.0665  93.506    8.6699   89.318    8.4915   15.955  0.7414 15.594  0.7429 0.3614740      1.049561  
1 1 1 16 2  15 o 28.049  0.6523 288.871   13.411  294.793   19.372   283.420   18.585   28.308  0.9336 27.759  0.9134 0.5491886      1.306155  
1 1 1 16 2  16 o 19.522  0.5459 139.860   7.8112  151.139   11.541   130.326   10.611   20.279  0.7765 18.832  0.7687 1.447498       1.092637  
1 1 1 16 2  17 o 3.2512  1.1884 3.1427    3.6905  5.2575    5.1747   0.9536    5.2647   4.0198  1.4148 3.2466  1.3471 0.7732100      1.953533  
1 1 1 16 2  18 o 18.119  0.5414 120.531   7.1901  134.031   10.713   109.466   9.6990   19.090  0.7656 17.252  0.7670 1.837992       1.083756  
1 1 1 16 2  19 o 21.756  0.8289 174.283   13.218  168.732   14.290   207.187   34.791   21.396  0.9112 23.358  2.0530 -1.961628      2.246145  
1 1 1 16 2  20 o 18.333  0.5477 123.450   7.3588  123.790   10.399   123.109   10.415   18.337  0.7737 18.286  0.7771 0.5080986E-01  1.096566  
1 1 1 16 2  21 o 8.7180  0.7003 28.139    4.4369  25.505    6.1465   31.006    6.4112   8.2438  1.0404 9.1133  0.9749 -0.8695192     1.425809  
1 1 1 16 3  0  o 20.979  0.7306 161.979   11.203  168.860   16.506   156.102   15.254   21.374  1.0596 20.551  1.0184 0.000000       0.000000  
1 1 1 16 3  1  f 39.895  0.8177 584.182   23.912  575.383   33.251   593.606   34.411   39.564  1.1466 40.184  1.1683 -0.6193237     1.636995  
1 1 1 16 3  2  o 34.315  0.7212 432.058   18.138  433.405   25.592   430.698   25.711   34.348  1.0165 34.240  1.0245 0.1080551      1.443220  
1 1 1 16 3  3  o 43.624  0.9539 698.948   30.501  642.966   43.279   754.190   42.992   41.787  1.4130 45.274  1.2956 -3.487270      1.917069  
1 1 1 16 3  4  o 16.026  0.4828 94.182    5.6711  86.213    7.6915   103.674   8.3949   15.329  0.6846 16.810  0.6814 -1.480886      0.9658691 
1 1 1 16 3  5  o 33.612  0.7632 414.665   18.802  428.526   25.828   399.036   27.425   34.147  1.0319 32.942  1.1358 1.205631       1.534588  
1 1 1 16 3  6  o 19.843  0.5963 144.440   8.6723  156.855   13.368   135.419   11.396   20.666  0.8825 19.205  0.8095 1.460663       1.197602  
1 1 1 16 3  7  o 42.130  1.7408 656.293   53.756  607.630   69.917   726.648   84.068   40.318  2.3764 44.013  2.6178 -3.695087      3.535550  
1 1 1 16 3  8  o 58.837  1.9401 1283.15   83.667  1222.79   97.406   1452.99   163.393  57.298  2.3193 61.651  3.6319 -4.353298      4.309289  
1 1 1 16 3  9  o 25.705  0.6876 242.524   12.955  248.404   18.942   237.355   17.758   25.993  0.9942 25.411  0.9534 0.5813580      1.377503  
1 1 1 16 3  10 o 23.144  0.5628 196.521   9.5462  192.776   13.307   200.493   13.702   22.909  0.7925 23.363  0.8002 -0.4535370     1.126194  
1 1 1 16 3  11 o 29.122  0.6534 311.295   13.946  336.488   21.040   291.551   18.626   30.251  0.9489 28.163  0.9023 2.087847       1.309425  
1 1 1 16 3  12 o 11.789  0.5987 51.136    5.1560  55.963    6.8804   44.952    7.7868   12.320  0.7657 11.012  0.9748 1.307443       1.239576  
1 1 1 16 3  13 o 5.2084  1.0352 10.335    3.8126  9.7089    5.3438   10.983    5.4411   5.0514  1.3966 5.3536  1.3784 -0.3021698     1.962218  
1 1 1 16 3  14 o 19.228  0.5387 135.660   7.5918  134.268   10.631   137.110   10.845   19.118  0.7587 19.318  0.7659 -0.2008266     1.078068  
1 1 1 16 3  15 o 26.281  0.6219 253.556   11.979  223.577   15.422   299.161   19.021   24.660  0.8532 28.519  0.9100 -3.859072      1.247419  
1 1 1 16 3  16 o 14.174  0.5331 73.728    5.5380  70.431    7.6938   77.273    7.9777   13.823  0.7623 14.481  0.7542 -0.6586246     1.072381  
1 1 1 16 3  17 o 25.878  0.6180 245.921   11.723  272.768   17.903   225.772   15.510   27.223  0.8972 24.772  0.8542 2.451054       1.238845  
1 1 1 16 3  18 o 24.076  0.6523 212.995   11.511  209.385   18.012   215.488   14.967   23.823  1.0315 24.194  0.8440 -0.3712921     1.332816  
1 1 1 16 3  19 f 17.195  0.7325 108.774   9.2321  98.199    10.201   156.645   21.704   16.305  0.8566 20.471  1.4560 -4.166677      1.689286  
1 1 1 16 3  20 o 14.135  0.7150 73.702    7.3835  68.052    9.6556   81.657    11.458   13.542  0.9794 14.825  1.0615 -1.283175      1.444296  
1 1 1 16 3  21 o 28.597  0.7175 300.927   15.039  296.410   19.777   307.120   23.157   28.338  0.9521 28.812  1.0965 -0.4740715     1.452210  
1 1 1 16 4  0  o 11.522  0.7017 49.221    5.8759  45.081    8.1627   53.674    8.4652   10.938  1.0397 11.977  0.9794 0.000000       0.000000  
1 1 1 16 4  1  o 11.137  0.4943 45.485    4.0347  48.113    5.7467   42.930    5.6661   11.431  0.6891 10.792  0.7204 0.6383190      0.9969549 
1 1 1 16 4  2  o 17.943  0.4918 118.053   6.4673  114.556   8.9711   121.838   9.3318   17.670  0.6927 18.222  0.6987 -0.5528164     0.9838613 
1 1 1 16 4  3  o 26.578  0.5961 259.107   11.612  279.622   17.299   242.283   15.666   27.596  0.8552 25.689  0.8320 1.907198       1.193150  
1 1 1 16 4  4  o 59.201  1.1856 1289.21   51.445  1402.35   78.348   1203.47   68.210   61.612  1.7349 57.103  1.6297 4.509163       2.380303  
1 1 1 16 4  5  o 46.044  0.9383 778.867   31.666  773.896   44.425   784.003   45.151   45.841  1.3222 46.138  1.3351 -0.2961540     1.879017  
1 1 1 16 4  6  o 39.479  0.9449 572.689   27.342  550.029   37.522   598.341   39.924   38.641  1.3248 40.299  1.3516 -1.657108      1.892631  
1 1 1 16 4  7  o 9.6343  1.0190 34.502    7.0867  19.444    9.4771   53.603    10.674   7.1133  1.8125 12.004  1.2305 -4.891224      2.190712  
1 1 1 16 4  8  o 38.823  1.3398 555.537   38.124  515.117   43.145   699.532   81.433   37.343  1.5763 43.157  2.5863 -5.814568      3.028775  
1 1 1 16 4  9  o 11.015  0.6525 44.688    5.2447  38.213    7.5785   50.639    7.2656   10.140  1.0341 11.709  0.8524 -1.568791      1.340150  
1 1 1 16 4  10 o 37.847  0.7953 526.172   22.063  547.372   32.375   507.788   30.147   38.554  1.1457 37.139  1.1075 1.414333       1.593444  
1 1 1 16 4  11 o 23.536  0.5708 203.267   9.8470  199.198   13.778   207.516   14.079   23.285  0.8073 23.766  0.8082 -0.4811554     1.142311  
1 1 1 16 4  12 o 30.080  0.6704 332.170   14.780  318.724   20.094   348.018   21.816   29.440  0.9312 30.759  0.9676 -1.319000      1.342919  
1 1 1 16 4  13 o 6.9243  0.7794 17.837    3.8870  16.382    5.5299   19.258    5.4646   6.5663  1.1929 7.1535  1.0755 -0.5871811     1.606168  
1 1 1 16 4  14 o 23.308  0.6098 199.425   10.418  195.194   13.762   205.104   15.944   23.045  0.8148 23.613  0.9212 -0.5682259     1.229845  
1 1 1 16 4  15 o 17.170  0.6104 108.229   7.6815  112.936   9.8305   100.849   12.309   17.531  0.7650 16.518  1.0217 1.013020       1.276394  
1 1 1 16 4  16 o 41.013  0.9937 619.506   29.873  589.881   40.558   654.635   44.166   39.927  1.3859 42.048  1.4330 -2.120506      1.993561  
1 1 1 16 4  17 o 14.129  0.5268 73.272    5.4560  73.453    7.6226   73.082    7.8127   14.117  0.7393 14.078  0.7599 0.3817844E-01  1.060207  
1 1 1 16 4  18 o 7.4342  0.8701 20.629    4.6513  20.022    8.4625   20.892    5.5677   7.1887  1.6421 7.4521  1.0483 -0.2633514     1.948173  
1 1 1 16 4  19 o 30.699  0.6935 346.604   15.604  329.857   21.282   366.074   22.947   29.897  0.9712 31.491  0.9942 -1.593376      1.389820  
1 1 1 16 4  20 o 15.373  0.6392 86.898    7.2028  106.353   12.097   76.213    8.9651   16.942  0.9783 14.353  0.8561 2.589060       1.299981  
1 1 1 16 4  21 o 25.408  0.6276 237.327   11.688  242.496   16.958   232.649   16.133   25.640  0.9023 25.119  0.8763 0.5213909      1.257803  
1 1 1 16 5  0  o 33.715  1.0161 418.286   25.058  498.644   40.908   370.026   31.702   36.736  1.5252 31.647  1.3725 0.000000       0.000000  
1 1 1 16 5  1  o 5.6840  0.8018 12.094    3.2477  19.468    4.6278   4.9379    4.5589   7.2264  0.8927 3.8532  1.3295 3.373107       1.601435  
1 1 1 16 5  2  o 26.565  0.5971 258.883   11.626  243.060   15.624   278.512   17.402   25.729  0.8285 27.540  0.8621 -1.810429      1.195649  
1 1 1 16 5  3  o 18.699  0.4970 128.225   6.8119  133.391   9.8729   123.531   9.4106   19.065  0.7065 18.347  0.6998 0.7178688      0.9944306 
1 1 1 16 5  4  o 45.556  0.9967 762.758   33.279  778.454   44.890   743.605   49.588   45.971  1.3323 44.898  1.5068 1.072681       2.011338  
1 1 1 16 5  5  o 23.343  0.5542 199.869   9.4826  204.780   13.711   195.366   13.129   23.616  0.7921 23.068  0.7765 0.5483990      1.109214  
1 1 1 16 5  6  o 40.249  0.9682 595.402   28.564  545.290   37.384   665.691   44.275   38.469  1.3258 42.488  1.4217 -4.018242      1.943993  
1 1 1 16 5  7  o 40.120  1.6519 595.065   48.577  599.854   68.801   590.305   68.596   40.037  2.3549 39.712  2.3674 0.3253517      3.339148  
1 1 1 16 5  8  o 44.245  1.1578 720.750   37.548  728.244   42.304   692.930   81.507   44.449  1.2985 42.912  2.6037 1.536388       2.909553  
1 1 1 16 5  9  f 35.257  1.0692 457.473   27.630  460.465   32.405   449.507   52.883   35.344  1.2509 34.683  2.0900 0.6611328      2.435729  
1 1 1 16 5  10 o 19.940  0.7574 146.034   11.070  143.281   16.062   148.525   15.277   19.695  1.1173 20.063  1.0425 -0.3683376     1.528078  
1 1 1 16 5  11 o 17.423  0.6563 111.436   8.3813  105.615   12.567   116.099   11.248   16.911  1.0186 17.773  0.8635 -0.8614750     1.335352  
1 1 1 16 5  12 o 21.207  0.5897 165.062   9.1666  162.506   12.142   168.449   13.978   21.031  0.7877 21.404  0.8910 -0.3734360     1.189237  
1 1 1 16 5  13 o 12.017  0.5457 52.990    4.8068  58.728    6.9876   47.835    6.6227   12.621  0.7589 11.381  0.7990 1.239374       1.101938  
1 1 1 16 5  14 f 11.972  0.5492 52.599    4.8192  57.951    7.0567   47.921    6.5974   12.535  0.7718 11.391  0.7952 1.143258       1.108154  
1 1 1 16 5  15 o 27.565  0.6425 279.007   12.982  268.382   17.856   290.920   18.907   27.009  0.9020 28.118  0.9174 -1.109285      1.286553  
1 1 1 16 5  16 o 10.072  0.6059 37.385    4.4519  30.137    6.1846   45.181    6.4136   8.9971  0.9523 11.056  0.7968 -2.059197      1.241667  
1 1 1 16 5  17 f 5.7330  0.9534 12.431    3.8655  11.276    5.5742   13.501    5.3650   5.4139  1.3958 5.9293  1.2726 -0.5153966     1.888823  
1 1 1 16 5  18 o 39.100  1.1786 565.709   33.779  634.129   72.685   546.863   38.148   40.691  2.4485 38.384  1.3560 2.306873       2.798874  
1 1 1 16 5  19 o 22.931  0.5906 193.222   9.9272  198.107   14.345   188.733   13.752   23.187  0.8441 22.634  0.8289 0.5529938      1.183067  
1 1 1 16 5  20 o 37.748  1.0408 526.859   28.798  546.186   38.292   501.696   43.692   38.313  1.3636 36.603  1.6286 1.710869       2.124063  
1 1 1 16 6  0  o 18.196  0.7060 121.974   9.3843  121.571   13.300   122.374   13.243   18.116  1.0088 18.178  1.0009 0.000000       0.000000  
1 1 1 16 6  1  o 46.968  0.9518 810.598   32.766  775.566   44.316   852.844   48.665   45.886  1.3176 48.106  1.3802 -2.219997      1.908141  
1 1 1 16 6  2  o 12.744  0.4844 59.563    4.5243  56.445    6.2740   62.941    6.5304   12.382  0.6941 13.078  0.6836 -0.6959791     0.9742297 
1 1 1 16 6  3  f 38.022  0.7879 530.817   21.957  554.185   32.305   510.754   29.934   38.811  1.1356 37.264  1.0959 1.546825       1.578197  
1 1 1 16 6  4  o 43.218  1.1226 687.198   35.561  666.018   44.745   723.509   58.588   42.494  1.4366 44.207  1.8082 -1.713463      2.309405  
1 1 1 16 6  5  o 27.905  1.0142 286.299   20.743  282.017   37.011   288.261   25.046   27.533  1.8447 27.980  1.2213 -0.4469624     2.212314  
1 1 1 16 6  6  o 23.505  0.9140 203.029   15.747  208.101   19.883   194.496   25.791   23.778  1.1408 22.896  1.5459 0.8820667      1.921261  
1 1 1 16 6  7  o 31.449  0.9592 363.625   22.111  357.390   25.170   384.702   46.279   31.162  1.1020 32.123  1.9752 -0.9607735     2.261763  
1 1 1 16 6  8  o 38.945  0.9424 557.688   26.900  542.282   32.087   594.123   49.346   38.374  1.1408 40.052  1.6809 -1.678806      2.031472  
1 1 1 16 6  9  o 32.551  0.8985 389.523   21.436  387.767   27.640   392.174   33.956   32.443  1.1623 32.585  1.4217 -0.1417885     1.836378  
1 1 1 16 6  10 o 14.951  0.5356 82.018    5.8697  78.733    7.9827   85.885    8.6608   14.622  0.7473 15.271  0.7763 -0.6486044     1.077594  
1 1 1 16 6  11 o 27.266  0.6630 272.952   13.250  279.426   20.595   268.379   17.308   27.554  1.0198 27.019  0.8740 0.5348034      1.343055  
1 1 1 16 6  12 o 25.007  0.5983 229.535   10.967  235.804   15.758   223.648   15.271   25.327  0.8489 24.665  0.8447 0.6610279      1.197555  
1 1 1 16 6  13 o 8.4341  0.6675 26.284    4.0928  25.615    5.8406   26.931    5.7371   8.2851  0.9808 8.5047  0.9358 -0.2196379     1.355657  
1 1 1 16 6  14 o 33.191  0.7230 404.728   17.588  394.542   24.431   415.688   25.342   32.731  1.0183 33.595  1.0292 -0.8639297     1.447818  
1 1 1 16 6  15 o 24.121  0.5869 213.603   10.375  226.365   15.266   202.647   14.144   24.808  0.8395 23.474  0.8221 1.333872       1.175008  
1 1 1 16 6  16 o 5.7346  0.9518 12.432    3.8602  7.6205    5.3676   17.587    5.5555   4.5623  1.4375 6.8097  1.1543 -2.247465      1.843579  
1 1 1 16 6  17 o 15.264  0.5329 85.551    5.9623  83.667    8.3293   87.530    8.5387   15.081  0.7535 15.425  0.7552 -0.3441257     1.066833  
1 1 1 16 6  18 f 14.608  0.7766 78.776    8.2852  71.079    13.780   83.135    10.369   13.762  1.3848 14.982  0.9491 -1.219420      1.678878  
1 1 1 16 6  19 o 41.369  0.8711 631.064   26.414  618.219   36.630   644.979   38.125   40.824  1.2242 41.689  1.2477 -0.8644333     1.747948  
1 1 1 16 6  20 o 52.104  1.3654 1010.35   52.146  999.591   66.823   1027.11   83.390   51.559  1.7682 51.913  2.1916 -0.3532104     2.815975  
1 1 1 16 7  0  o 4.7924  1.8995 11.653    6.4312  10.919    8.2960   12.757    10.181   4.4868  2.1679 4.8436  2.3914 0.000000       0.000000  
1 1 1 16 7  1  o 38.027  0.9978 531.640   27.812  522.391   35.261   546.870   45.245   37.656  1.2775 38.471  1.6046 -0.8143158     2.051036  
1 1 1 16 7  2  o 52.664  1.2337 1021.40   47.621  1059.67   69.432   987.403   65.437   53.503  1.7705 51.659  1.7282 1.844292       2.474164  
1 1 1 16 7  3  o 42.719  0.8795 670.479   27.537  620.795   36.273   738.066   42.307   41.061  1.2053 44.756  1.2897 -3.695450      1.765175  
1 1 1 16 7  4  o 51.523  1.1209 976.933   42.329  945.354   63.025   1002.88   57.132   50.547  1.7011 52.119  1.4956 -1.571579      2.265071  
1 1 1 16 7  5  o 21.644  0.6262 171.909   9.9334  165.896   14.104   177.827   13.993   21.246  0.9057 21.999  0.8678 -0.7532520     1.254326  
1 1 1 16 7  6  o 15.260  0.8060 85.785    8.9831  128.728   19.989   74.916    10.056   18.611  1.4775 14.240  0.9692 4.370022       1.767014  
1 1 1 16 7  7  o 33.041  1.0061 401.643   24.366  449.184   30.680   320.428   40.100   34.913  1.1989 29.314  1.8762 5.599495       2.226540  
1 1 1 16 7  8  o 12.109  0.7247 54.038    6.4022  61.184    8.3794   44.015    9.9233   12.870  0.8938 10.852  1.2717 2.018228       1.554428  
1 1 1 16 7  9  o 23.087  0.7947 195.841   13.448  180.813   18.422   212.988   19.677   22.125  1.1398 24.047  1.1164 -1.921888      1.595495  
1 1 1 16 7  10 o 31.708  0.7337 369.280   17.052  376.001   23.047   361.149   25.348   31.966  0.9836 31.312  1.1044 0.6540680      1.478974  
1 1 1 16 7  11 o 9.1075  0.6276 30.594    4.1637  30.069    5.9211   31.109    5.8562   8.9962  0.9105 9.1556  0.8837 -0.1594200     1.268802  
1 1 1 16 7  12 o 19.953  0.5403 146.092   7.9018  167.720   12.082   129.925   10.446   21.364  0.7716 18.804  0.7579 2.559696       1.081519  
1 1 1 16 7  13 o 41.617  0.8685 636.992   26.493  644.737   37.873   629.569   37.075   41.792  1.2364 41.301  1.2247 0.4917297      1.740282  
1 1 1 16 7  14 o 21.479  0.5586 169.340   8.7939  174.866   12.769   164.356   12.128   21.809  0.7988 21.144  0.7826 0.6642056      1.118293  
1 1 1 16 7  15 o 14.771  0.5326 80.081    5.7659  91.672    8.5915   70.582    7.7776   15.792  0.7423 13.834  0.7701 1.957930       1.069574  
1 1 1 16 7  16 o 53.263  1.0908 1047.42   42.584  964.231   55.510   1166.39   66.383   50.943  1.4867 55.958  1.6185 -5.015579      2.197648  
1 1 1 16 7  17 o 19.898  0.6078 145.483   8.8638  130.829   13.243   157.377   11.930   18.807  0.9639 20.677  0.7872 -1.869389      1.244512  
1 1 1 16 7  18 o 8.6796  0.7983 27.980    5.0218  31.721    6.8426   23.612    7.3933   9.2087  1.0315 7.8680  1.3294 1.340709       1.682620  
1 1 1 16 7  19 o 9.6288  0.6525 34.257    4.5777  33.085    6.4130   35.474    6.5363   9.4198  0.9414 9.7600  0.9247 -0.3401756     1.319632  
1 1 1 16 8  0  o 21.603  0.7516 171.825   11.869  179.610   17.431   165.096   16.206   22.036  1.0852 21.126  1.0526 0.000000       0.000000  
1 1 1 16 8  1  o 4.5824  1.0250 8.0289    3.3565  7.5912    4.7257   8.4745    4.7683   4.5068  1.3355 4.7287  1.3235 -0.2218604     1.880185  
1 1 1 16 8  2  o 15.882  0.4871 92.518    5.6705  97.500    8.2087   87.971    7.8426   16.297  0.6872 15.480  0.6912 0.8170595      0.9746686 
1 1 1 16 8  3  o 58.240  1.1667 1249.18   49.802  1299.18   72.873   1205.36   68.219   59.240  1.6783 57.077  1.6307 2.163086       2.340039  
1 1 1 16 8  4  f 12.919  0.5702 61.244    5.3997  57.681    7.7954   64.531    7.4866   12.499  0.8560 13.232  0.7753 -0.7327747     1.154945  
1 1 1 16 8  5  o 24.474  0.7196 219.965   12.910  225.600   20.870   216.472   16.430   24.747  1.1506 24.263  0.9239 0.4836044      1.475574  
1 1 1 16 8  6  o 4.3443  1.3468 6.9320    4.7326  2.1006    6.8084   11.449    6.5831   3.8147  1.5518 5.4937  1.5613 -1.679044      2.201293  
1 1 1 16 8  7  o 14.982  0.9613 82.904    10.501  75.181    13.601   94.299    16.522   14.212  1.3208 15.911  1.4320 -1.699140      1.948107  
1 1 1 16 8  8  o 8.8089  1.9033 29.950    11.930  37.432    18.400   24.524    15.670   9.7936  2.5413 8.0484  2.4426 1.745211       3.524855  
1 1 1 16 8  9  o 25.484  0.9829 238.994   18.359  252.320   23.608   218.603   29.203   26.154  1.2315 24.227  1.6545 1.927340       2.062495  
1 1 1 16 8  10 f 15.702  0.5342 90.469    6.1485  87.868    8.3019   93.629    9.1503   15.466  0.7324 15.962  0.7821 -0.4962969     1.071474  
1 1 1 16 8  11 o 51.139  1.0404 963.216   38.996  973.662   55.639   953.130   54.671   51.284  1.4802 50.744  1.4699 0.5400696      2.086049  
1 1 1 16 8  12 o 45.140  0.9279 749.856   30.699  747.533   43.442   752.174   43.390   44.975  1.3178 45.116  1.3121 -0.1410332     1.859649  
1 1 1 16 8  13 o 16.515  0.5302 100.095   6.4183  102.195   9.2046   98.109    8.9543   16.675  0.7531 16.339  0.7477 0.3363914      1.061250  
1 1 1 16 8  14 o 17.034  0.5313 106.504   6.6334  101.725   9.3301   111.390   9.4327   16.634  0.7653 17.408  0.7393 -0.7741642     1.064045  
1 1 1 16 8  15 o 25.560  0.6124 239.967   11.473  247.928   16.858   233.098   15.658   25.948  0.8864 25.165  0.8489 0.7830791      1.227331  
1 1 1 16 8  16 o 8.0226  0.7234 23.865    4.2083  20.841    5.8867   27.026    6.0184   7.4283  1.1157 8.5029  0.9838 -1.074604      1.487487  
1 1 1 16 8  17 o 26.218  0.8745 253.422   16.805  252.779   31.723   253.673   19.813   25.927  1.6783 26.200  1.0317 -0.2729588     1.970060  
1 1 1 16 8  18 o 9.1818  0.6661 31.174    4.4520  22.789    6.1464   40.429    6.4571   7.7688  1.1111 10.437  0.8515 -2.667989      1.399833  
1 1 1 16 8  19 o 18.067  0.5585 119.953   7.3964  120.380   10.518   119.536   10.403   18.074  0.7939 18.011  0.7880 0.6270981E-01  1.118641  
1 1 1 16 9  0  o 67.155  1.8966 1668.48   93.186  1660.67   131.465  1676.37   132.106  66.675  2.7002 66.990  2.7005 0.000000       0.000000  
1 1 1 16 9  1  o 18.352  0.4924 123.542   6.6229  118.328   9.1119   129.382   9.6431   17.952  0.6925 18.771  0.7009 -0.8192959     0.9852991 
1 1 1 16 9  2  o 46.397  0.9463 791.758   32.182  779.054   44.837   805.256   46.218   45.942  1.3315 46.703  1.3502 -0.7614975     1.896292  
1 1 1 16 9  3  o 13.043  0.4967 62.409    4.7485  56.950    6.6649   68.038    6.7671   12.430  0.7348 13.613  0.6782 -1.182158      0.9999602 
1 1 1 16 9  4  o 29.305  0.7496 315.465   16.101  311.898   22.726   319.059   22.813   29.104  1.0653 29.438  1.0573 -0.3332672     1.500960  
1 1 1 16 9  5  o 5.9252  1.1179 13.355    4.6771  13.560    7.0732   13.196    6.2347   5.9488  1.5912 5.8602  1.4576 0.8858204E-01  2.157861  
1 1 1 16 9  6  o 23.153  0.6384 196.803   10.835  186.340   12.819   222.973   20.273   22.520  0.7766 24.600  1.1244 -2.079687      1.366511  
1 1 1 16 9  7  o 27.920  0.7326 286.342   14.992  302.867   19.119   259.966   24.155   28.696  0.9090 26.544  1.2415 2.151283       1.538742  
1 1 1 16 9  8  o 33.096  0.9076 402.913   22.017  428.568   29.917   372.603   32.519   34.087  1.1974 31.747  1.3975 2.340263       1.840354  
1 1 1 16 9  9  o 26.497  0.8722 258.222   16.939  220.259   21.537   319.797   27.429   24.434  1.2026 29.430  1.2716 -4.996122      1.750170  
1 1 1 16 9  10 o 15.603  0.5319 89.347    6.0828  81.303    8.0020   100.357   9.3617   14.875  0.7339 16.524  0.7729 -1.649049      1.065878  
1 1 1 16 9  11 o 11.804  0.5517 51.145    4.7738  42.871    6.5921   60.269    6.9223   10.764  0.8423 12.785  0.7419 -2.020918      1.122403  
1 1 1 16 9  12 o 13.321  0.5433 65.129    5.3050  71.311    7.7946   59.795    7.2409   13.907  0.7677 12.730  0.7798 1.177394       1.094261  
1 1 1 16 9  13 o 39.270  0.8303 567.365   23.898  536.903   32.210   604.667   35.643   38.133  1.1524 40.455  1.2021 -2.321739      1.665238  
1 1 1 16 9  14 o 35.314  0.8110 458.868   20.992  515.289   35.066   427.353   26.208   37.311  1.2822 34.034  1.0506 3.276917       1.657677  
1 1 1 16 9  15 o 32.912  0.8340 398.904   20.118  382.882   33.553   407.896   25.137   32.095  1.4263 33.238  1.0318 -1.143326      1.760411  
1 1 1 16 9  16 o 13.054  0.6338 62.646    6.0645  63.232    10.220   62.328    7.5343   13.032  1.0796 12.985  0.7955 0.4754448E-01  1.341041  
1 1 1 16 9  17 f 26.220  0.8839 253.635   16.987  249.004   31.471   255.538   20.179   25.708  1.6794 26.283  1.0474 -0.5753326     1.979252  
1 1 1 16 9  18 o 2.2708  1.0622 -4.3316   4.4039  -0.6762   6.0185   -8.5443   6.4611   3.2123  1.3901 2.5703  1.2270 0.6419849      1.854170  
1 1 1 16 10 0  o 19.104  0.7021 134.435   9.8009  141.793   14.479   128.213   13.315   19.570  1.0157 18.608  0.9825 0.000000       0.000000  
1 1 1 16 10 1  o 16.006  0.4790 93.977    5.6199  94.802    7.9642   93.160    7.9314   16.068  0.6763 15.928  0.6794 0.1399117      0.9585879 
1 1 1 16 10 2  o 54.160  1.0921 1080.60   43.352  1034.56   58.988   1134.67   63.929   52.864  1.5224 55.343  1.5760 -2.478661      2.191201  
1 1 1 16 10 3  o 24.494  0.7185 220.368   12.899  223.533   17.054   216.135   19.720   24.649  0.9439 24.219  1.1109 0.4296207      1.457756  
1 1 1 16 10 4  o 30.411  0.8269 339.970   18.431  369.012   31.268   324.505   22.817   31.603  1.3498 29.684  1.0487 1.919497       1.709348  
1 1 1 16 10 5  o 45.884  1.3197 777.645   44.383  765.654   62.012   790.238   63.551   45.351  1.8655 46.067  1.8821 -0.7159081     2.650021  
1 1 1 16 10 6  o 29.938  0.7519 329.316   16.499  329.719   20.314   328.533   28.283   29.936  0.9258 29.826  1.2938 0.1097431      1.590900  
1 1 1 16 10 7  o 7.0262  0.8885 18.446    4.4733  17.346    5.4597   20.692    7.8023   6.7678  1.1412 7.3444  1.5001 -0.5765896     1.884850  
1 1 1 16 10 8  o 7.0967  1.0171 18.922    5.1392  19.413    6.8071   18.272    7.8369   7.1314  1.3518 6.8840  1.5858 0.2473922      2.083783  
1 1 1 16 10 9  o 22.582  0.7196 187.381   11.910  172.624   14.985   212.696   19.627   21.655  0.9441 24.016  1.1150 -2.361153      1.460988  
1 1 1 16 10 10 o 15.501  0.5332 88.185    6.0574  85.028    8.1597   92.060    9.0408   15.211  0.7319 15.824  0.7795 -0.6135826     1.069216  
1 1 1 16 10 11 o 19.872  0.5351 144.940   7.7937  134.479   10.629   157.107   11.463   19.126  0.7582 20.673  0.7565 -1.546785      1.071023  
1 1 1 16 10 12 o 41.686  0.8678 639.633   26.513  626.327   36.878   653.870   38.145   41.162  1.2224 42.052  1.2376 -0.8907471     1.739458  
1 1 1 16 10 13 o 20.847  0.5581 159.582   8.5270  163.350   12.275   156.068   11.854   21.071  0.7948 20.597  0.7852 0.4740162      1.117273  
1 1 1 16 10 14 o 17.246  0.5323 109.221   6.7282  115.125   9.7709   103.897   9.2783   17.688  0.7536 16.804  0.7533 0.8846874      1.065594  
1 1 1 16 10 15 o 23.108  0.5875 196.231   9.9512  212.320   14.905   183.291   13.367   24.001  0.8472 22.305  0.8176 1.696686       1.177429  
1 1 1 16 10 16 o 22.754  0.6197 190.375   10.335  187.711   13.883   193.686   15.479   22.563  0.8395 22.905  0.9220 -0.3419132     1.246899  
1 1 1 16 10 17 o 7.4113  0.8838 20.558    4.7063  15.918    6.2163   26.789    7.2037   6.4174  1.3636 8.4115  1.2027 -1.994061      1.818219  
1 1 1 16 10 18 o 6.6755  0.8459 16.697    4.0458  12.713    5.8135   20.439    5.6340   5.7259  1.3975 7.3530  1.0773 -1.627155      1.764535  
1 1 1 16 11 0  o 3.4331  1.5735 6.3149    4.3252  -0.8933   6.5729   11.820    5.7440   2.3522  1.5393 4.9430  1.7449 0.000000       0.000000  
1 1 1 16 11 1  o 11.222  0.5381 46.213    4.4262  48.199    5.9080   43.673    6.6827   11.433  0.7085 10.866  0.8458 0.5672770      1.103332  
1 1 1 16 11 2  o 11.214  0.5410 46.150    4.4469  45.751    6.9620   46.426    5.7795   11.121  0.8608 11.220  0.7064 -0.9922123E-01 1.113559  
1 1 1 16 11 3  o 29.380  0.7509 317.202   16.171  286.379   21.409   358.141   24.674   27.881  1.0476 31.174  1.0799 -3.293081      1.504545  
1 1 1 16 11 4  o 30.199  0.9220 335.605   20.408  315.010   27.512   360.800   30.430   29.200  1.2855 31.242  1.3289 -2.041737      1.848854  
1 1 1 16 11 5  o 8.9586  0.7307 29.685    4.7563  23.899    6.1635   38.203    7.4782   7.9807  1.0815 10.133  1.0208 -2.152560      1.487164  
1 1 1 16 11 6  o 26.455  0.6498 257.033   12.599  254.180   15.011   263.833   23.177   26.295  0.7788 26.737  1.1827 -0.4412746     1.416112  
1 1 1 16 11 7  f 34.674  0.8534 442.279   21.690  430.004   25.904   471.065   39.671   34.159  1.0346 35.640  1.5186 -1.480423      1.837571  
1 1 1 16 11 8  o 17.939  0.6725 118.227   8.8430  125.277   11.712   108.877   13.487   18.452  0.8660 17.150  1.0784 1.302158       1.383084  
1 1 1 16 11 9  o 5.8626  1.1172 13.098    4.6256  21.526    6.7045   5.4433    6.3899   7.5325  1.2588 4.2659  1.5630 3.266616       2.006894  
1 1 1 16 11 10 o 32.548  0.7544 389.496   17.996  411.956   25.145   365.910   25.768   33.427  1.0263 31.486  1.1165 1.940792       1.516581  
1 1 1 16 11 11 o 17.512  0.5261 112.585   6.7536  113.748   9.7659   111.518   9.3497   17.587  0.7576 17.415  0.7325 0.1712551      1.053784  
1 1 1 16 11 12 o 8.0558  0.6893 24.030    4.0308  26.176    5.8558   22.098    5.5567   8.3702  0.9726 7.6744  1.0126 0.6957560      1.404033  
1 1 1 16 11 13 o 11.517  0.5721 48.725    4.8294  44.508    6.6781   53.348    6.9923   10.960  0.8376 12.011  0.7988 -1.050303      1.157467  
1 1 1 16 11 14 o 13.624  0.5472 68.189    5.4643  65.640    7.7235   70.744    7.7319   13.325  0.7944 13.840  0.7652 -0.5143614     1.102978  
1 1 1 16 11 15 o 43.618  0.9714 703.114   31.055  686.008   40.310   728.093   48.709   42.951  1.2804 44.127  1.5060 -1.175705      1.976739  
1 1 1 16 11 16 f 23.087  0.7364 196.361   12.462  191.429   25.268   197.947   14.325   22.551  1.5379 23.162  0.8438 -0.6104965     1.754191  
1 1 1 16 11 17 o 8.0859  0.7405 24.288    4.3398  27.676    6.2504   21.133    6.0303   8.5898  1.0122 7.4648  1.1381 1.125002       1.523122  
1 1 1 16 12 0  f 44.670  1.2894 736.260   42.135  723.521   58.761   749.742   60.452   44.130  1.8237 44.920  1.8431 0.000000       0.000000  
1 1 1 16 12 1  f 30.309  0.7025 337.534   15.607  322.591   22.990   350.306   21.255   29.582  1.0603 30.846  0.9401 -1.263885      1.417078  
1 1 1 16 12 2  o 22.924  0.5914 192.952   9.9378  176.374   14.588   207.309   13.575   21.890  0.9092 23.746  0.7800 -1.855822      1.197904  
1 1 1 16 12 3  o 26.296  0.7468 254.163   14.394  250.465   22.780   256.621   18.571   26.044  1.1933 26.398  0.9598 -0.3530598     1.531434  
1 1 1 16 12 4  o 17.239  0.6114 109.135   7.7255  110.354   10.195   107.492   11.839   17.323  0.8030 17.059  0.9507 0.2639637      1.244383  
1 1 1 16 12 5  o 30.722  0.7680 347.008   17.293  333.084   20.530   381.019   32.086   30.076  0.9313 32.081  1.3645 -2.004530      1.652060  
1 1 1 16 12 6  o 27.290  0.6569 273.584   13.139  281.802   16.070   257.016   22.817   27.681  0.7921 26.380  1.1800 1.301542       1.421221  
1 1 1 16 12 7  o 19.064  0.6149 133.477   8.5919  146.912   11.127   113.636   13.522   19.989  0.7595 17.522  1.0578 2.467171       1.302207  
1 1 1 16 12 8  o 13.262  0.6836 64.809    6.6223  60.774    8.6710   70.456    10.259   12.812  0.9297 13.786  1.0225 -0.9741049     1.381984  
1 1 1 16 12 9  o 29.312  0.8300 316.212   17.833  311.294   23.222   323.281   27.839   29.038  1.0911 29.550  1.2853 -0.5119209     1.685989  
1 1 1 16 12 10 o 12.085  0.5551 53.634    4.9175  64.757    7.1641   43.724    6.7622   13.249  0.7407 10.863  0.8562 2.385145       1.132136  
1 1 1 16 12 11 o 17.164  0.5204 108.167   6.5473  100.685   8.9580   116.747   9.5933   16.543  0.7388 17.815  0.7347 -1.271170      1.041900  
1 1 1 16 12 12 o 14.162  0.5223 73.656    5.4214  76.324    7.8576   71.232    7.4897   14.380  0.7481 13.892  0.7382 0.4880524      1.050967  
1 1 1 16 12 13 o 20.109  0.5575 148.588   8.2172  163.288   12.322   136.817   11.027   21.050  0.7987 19.271  0.7807 1.779303       1.116829  
1 1 1 16 12 14 o 40.379  0.8490 601.559   25.127  613.708   36.300   590.384   34.816   40.640  1.2186 39.873  1.1913 0.7676353      1.704181  
1 1 1 16 12 15 o 18.612  0.5438 127.333   7.4185  128.196   10.671   126.525   10.321   18.646  0.7808 18.527  0.7600 0.1189823      1.089589  
1 1 1 16 12 16 o 15.461  0.7662 88.128    8.6824  66.891    13.522   103.026   11.326   13.306  1.4078 16.668  0.9308 -3.361432      1.687673  
1 1 1 16 13 0  o 15.340  0.8174 87.131    9.1305  104.306   12.150   64.849    13.839   16.758  0.9972 13.009  1.5037 0.000000       0.000000  
1 1 1 16 13 1  o 19.064  0.5426 133.418   7.5816  133.663   11.791   133.245   9.8994   19.058  0.8441 19.040  0.7094 0.1826477E-01  1.102584  
1 1 1 16 13 2  o 37.217  0.9777 510.452   26.671  503.568   41.876   515.150   34.595   36.810  1.5521 37.318  1.2648 -0.5082664     2.002202  
1 1 1 16 13 3  o 26.284  0.8416 254.241   16.213  244.786   22.530   264.396   23.350   25.737  1.1943 26.748  1.1910 -1.011665      1.686694  
1 1 1 16 13 4  o 32.107  0.8709 379.496   20.495  379.322   26.374   379.760   32.563   32.052  1.1226 32.008  1.3880 0.4434967E-01  1.785180  
1 1 1 16 13 5  o 5.2715  1.0001 10.581    3.7229  12.436    4.7680   7.6832    5.9587   5.6980  1.1805 4.6377  1.5195 1.060272       1.924186  
1 1 1 16 13 6  o 29.648  0.6986 323.117   15.180  329.524   18.411   309.515   26.827   29.920  0.8395 28.917  1.2657 1.002947       1.518815  
1 1 1 16 13 7  o 20.225  0.6273 150.294   9.2989  148.267   11.263   154.635   16.482   20.076  0.7654 20.431  1.1047 -0.3555775     1.343954  
1 1 1 16 13 8  o 25.120  0.7690 232.184   14.159  250.284   19.247   210.834   20.904   26.044  1.0083 23.840  1.2002 2.203634       1.567497  
1 1 1 16 13 9  f 6.4377  0.9359 15.597    4.2866  19.191    6.7800   13.203    5.5328   7.0755  1.3567 5.8522  1.3212 1.223327       1.893714  
1 1 1 16 13 10 o 26.132  0.6457 251.085   12.369  263.731   17.281   237.802   17.711   26.745  0.8815 25.384  0.9519 1.361431       1.297406  
1 1 1 16 13 11 o 12.172  0.5358 54.433    4.7805  59.215    6.9941   50.240    6.5491   12.658  0.7573 11.654  0.7711 1.004183       1.080809  
1 1 1 16 13 12 o 14.040  0.5255 72.430    5.4079  68.046    7.4958   77.189    7.8097   13.569  0.7567 14.458  0.7395 -0.8881588     1.057999  
1 1 1 16 13 13 o 9.3707  0.6345 32.455    4.3324  34.170    6.1523   30.768    6.1019   9.5789  0.8863 9.0776  0.9302 0.5012999      1.284881  
1 1 1 16 13 14 o 30.006  0.6878 331.617   15.127  324.248   21.275   339.152   21.513   29.595  0.9808 30.271  0.9696 -0.6760006     1.379167  
1 1 1 16 13 15 o 2.5945  1.1299 -0.6940   4.0263  5.9103    6.5162   -4.7728   5.1209   4.3449  1.5805 2.4695  1.1519 1.875490       1.955699  
1 1 1 16 14 0  o 11.676  0.8832 50.942    7.4597  67.197    9.8784   29.373    11.379   13.404  1.0190 8.1478  2.2046 0.000000       0.000000  
1 1 1 16 14 1  o 17.737  0.6960 115.658   9.0489  129.086   13.916   105.820   11.911   18.677  1.0204 16.914  0.9648 1.762945       1.404267  
1 1 1 16 14 2  o 3.7681  1.3576 4.4223    4.7920  2.0022    7.3353   6.2240    6.3292   3.9090  1.6028 4.3945  1.5627 -0.4855752     2.238510  
1 1 1 16 14 3  o 45.396  1.1861 762.374   39.465  782.197   51.928   735.267   60.723   45.833  1.5458 44.275  1.8712 1.558441       2.427063  
1 1 1 16 14 4  o 36.448  0.9760 490.032   26.074  478.924   28.640   543.840   63.034   36.005  1.0853 37.788  2.2866 -1.782978      2.531080  
1 1 1 16 14 5  o 14.658  0.5344 78.895    5.7412  80.669    7.1132   75.578    9.7245   14.814  0.6551 14.287  0.9338 0.5271978      1.140664  
1 1 1 16 14 6  o 28.352  0.7402 295.757   15.381  286.862   16.548   352.224   41.696   27.911  0.8089 30.562  1.8704 -2.650345      2.037808  
1 1 1 16 14 7  o 10.048  0.6942 37.311    5.0811  33.912    6.1963   44.288    8.8779   9.5492  0.8958 10.884  1.1293 -1.334534      1.441438  
1 1 1 16 14 8  o 14.916  0.6842 81.844    7.4798  94.086    10.345   68.431    10.828   15.947  0.8885 13.555  1.0993 2.392342       1.413525  
1 1 1 16 14 9  o 23.830  0.6669 208.929   11.648  218.626   17.738   201.577   15.445   24.318  0.9952 23.369  0.9017 0.9492035      1.342913  
1 1 1 16 14 10 o 26.970  0.6694 267.699   13.232  252.178   17.159   290.471   20.784   26.133  0.8958 28.018  1.0121 -1.884853      1.351617  
1 1 1 16 14 11 o 15.339  0.5144 86.461    5.7832  88.772    8.4053   84.383    7.9694   15.521  0.7388 15.135  0.7184 0.3863401      1.030544  
1 1 1 16 14 12 o 13.295  0.5408 64.979    5.2703  79.369    8.1373   54.580    6.9171   14.652  0.7603 12.140  0.7816 2.512366       1.090377  
1 1 1 16 14 13 f 33.504  0.7349 413.886   18.046  388.346   24.364   444.926   26.860   32.361  1.0272 34.625  1.0583 -2.264698      1.474866  
1 1 1 16 14 14 o 13.730  0.5517 69.316    5.5519  71.329    7.9450   67.395    7.7613   13.882  0.7840 13.492  0.7883 0.3902359      1.111807  
1 1 1 16 15 0  o 2.3664  1.5729 -2.0409   7.2925  -2.0409   7.2925   0.0000    0.0000   2.3664  1.5729 2.3664  1.5729 0.000000       0.000000  
1 1 1 16 15 1  o 19.134  0.7244 134.713   10.160  136.064   14.670   133.468   14.083   19.159  1.0487 18.981  1.0160 0.1775284      1.460083  
1 1 1 16 15 2  o 24.667  0.9489 224.563   17.157  253.596   23.069   188.628   25.665   26.158  1.2032 22.419  1.5718 3.738199       1.979439  
1 1 1 16 15 3  o 14.483  0.6989 77.171    7.4193  70.089    8.3330   104.257   16.296   13.767  0.8297 16.696  1.3430 -2.928792      1.578631  
1 1 1 16 15 4  o 14.798  0.5388 80.438    5.8444  77.425    7.0423   87.104    10.475   14.509  0.6622 15.334  0.9365 -0.8249493     1.146991  
1 1 1 16 15 5  o 6.1421  1.0349 14.325    4.4935  14.835    5.1210   12.616    9.3687   6.2287  1.1645 5.8576  1.9047 0.3710809      2.232460  
1 1 1 16 15 6  o 18.626  0.6108 127.576   8.3382  121.491   9.0274   162.924   21.758   18.170  0.6779 20.846  1.4328 -2.676039      1.585016  
1 1 1 16 15 7  o 10.767  0.7618 42.928    5.9730  38.596    7.8124   49.022    9.2667   10.154  1.0656 11.445  1.1190 -1.291274      1.545229  
1 1 1 16 15 8  o 14.582  0.6802 78.292    7.2703  87.528    10.404   69.480    10.163   15.360  0.9285 13.660  1.0225 1.700100       1.381141  
1 1 1 16 15 9  o 15.452  0.5980 87.830    6.7730  92.753    10.695   84.533    8.7513   15.811  0.9270 15.117  0.7926 0.6936464      1.219616  
1 1 1 16 15 10 o 9.1260  0.6581 30.825    4.3723  26.716    6.0306   35.379    6.3485   8.4356  0.9945 9.7415  0.8993 -1.305925      1.340775  
1 1 1 16 15 11 f 13.531  0.5396 67.323    5.3520  71.057    7.8351   64.056    7.3279   13.855  0.7746 13.154  0.7633 0.7004633      1.087523  
1 1 1 16 15 12 o 9.0551  0.6601 30.363    4.3510  29.870    6.2186   30.836    6.0900   8.9283  0.9656 9.0806  0.9280 -0.1522665     1.339297  
1 1 1 16 15 13 o 12.820  0.5648 60.461    5.3076  62.041    7.7259   59.048    7.3039   12.935  0.8191 12.622  0.7935 0.3125668      1.140461  
1 1 1 16 16 0  o 4.1078  2.2331 8.9790    9.4869  8.9790    9.4869   0.0000    0.0000   4.1078  2.2331 4.1078  2.2331 0.000000       0.000000  
1 1 1 16 16 1  o 9.1255  1.0373 31.224    6.8147  27.774    8.2025   38.911    12.244   8.5292  1.3576 10.028  1.7282 -1.499006      2.197659  
1 1 1 16 16 2  o 19.172  0.7256 135.407   10.197  133.272   11.692   142.191   20.839   19.003  0.8394 19.437  1.4737 -0.4335995     1.696041  
1 1 1 16 16 3  o 10.418  0.6686 40.119    5.0788  39.842    5.6873   41.208    11.285   10.370  0.7534 10.379  1.5293 -0.8976936E-02 1.704776  
1 1 1 16 16 4  o 18.372  0.5507 124.087   7.4161  127.468   9.1490   117.610   12.664   18.607  0.6708 17.801  0.9743 0.8053188      1.182889  
1 1 1 16 16 5  o 21.492  0.5940 169.913   9.3575  163.500   11.053   186.137   17.581   21.064  0.7159 22.400  1.0708 -1.335552      1.288110  
1 1 1 16 16 6  o 17.429  0.6157 111.786   7.8657  112.522   9.7463   110.412   13.321   17.467  0.7613 17.219  1.0606 0.2472763      1.305532  
1 1 1 16 16 7  o 14.287  0.6923 75.213    7.2490  75.026    9.4925   75.474    11.228   14.211  0.9162 14.215  1.0858 -0.3996849E-02 1.420712  
1 1 1 16 16 8  o 20.127  0.6959 149.307   10.266  143.586   13.474   157.221   15.849   19.693  0.9335 20.551  1.0558 -0.8586464     1.409257  
1 1 1 16 16 9  o 21.708  0.6464 173.586   10.285  186.041   15.850   164.526   13.518   22.403  0.9653 21.089  0.8746 1.313717       1.302534  
1 1 1 16 16 10 o 18.773  0.5710 129.685   7.8564  151.156   11.673   111.904   10.623   20.230  0.7872 17.398  0.8330 2.831787       1.146115  
1 1 1 16 16 11 o 11.704  0.5656 50.398    4.8522  51.526    6.9928   49.351    6.7382   11.781  0.8148 11.531  0.8023 0.2502604      1.143469  
1 1 1 16 17 0  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 16 17 1  o 3.2354  1.4143 -1.1669   6.3622  -1.1669   6.3622   0.0000    0.0000   3.2354  1.4143 ?       ?      0.000000       1.414327  
1 1 1 16 17 2  o 10.284  0.9179 39.457    6.8464  39.457    6.8464   0.0000    0.0000   10.284  0.9179 ?       ?      0.000000       0.9179137 
1 1 1 16 17 3  o 4.4524  1.2031 7.6414    4.0194  8.0955    4.9280   6.7390    6.9469   4.6099  1.3632 4.5504  1.6352 0.5951452E-01  2.128859  
1 1 1 16 17 4  o 11.877  0.5843 51.918    5.0864  54.789    6.3015   46.549    8.6165   12.169  0.7096 11.142  1.0681 1.026202       1.282353  
1 1 1 16 17 5  o 13.984  0.6069 72.005    6.2206  68.921    6.8938   85.521    14.433   13.655  0.6910 15.056  1.3212 -1.400973      1.491036  
1 1 1 16 17 6  o 18.274  0.6883 123.132   9.2194  130.010   12.395   114.613   13.793   18.736  0.9026 17.520  1.0794 1.215467       1.407019  
1 1 1 16 17 7  o 3.8265  1.3752 4.6997    4.9135  3.6195    6.4855   6.1551    7.5279   3.9331  1.5428 4.5320  1.6899 -0.5989528     2.288262  
1 1 1 16 17 8  o 22.674  0.7281 189.747   12.101  191.130   16.367   188.080   17.973   22.690  0.9841 22.476  1.0910 0.2147179      1.469281  
1 1 1 16 17 9  o 13.553  0.6899 67.915    6.8306  74.276    9.7371   61.751    9.5847   14.122  0.9462 12.852  1.0260 1.270267       1.395691  
1 1 1 16 18 0  o 5.9764  2.2785 18.187    9.4004  0.0000    0.0000   18.187    9.4004   5.9764  2.2785 5.9764  2.2785 0.000000       0.000000  
1 1 1 16 18 1  o 11.899  1.3407 53.831    11.489  53.831    11.489   0.0000    0.0000   11.899  1.3407 ?       ?      0.000000       1.340665  
1 1 1 16 18 2  o 8.2973  1.0375 25.997    6.1718  25.997    6.1718   0.0000    0.0000   8.2973  1.0375 ?       ?      0.000000       1.037505  
1 1 1 16 18 3  o 10.898  0.7309 44.052    5.8048  47.075    6.8508   36.357    10.930   11.247  0.8370 9.6717  1.5977 1.575696       1.803648  
1 1 1 16 18 4  o 11.655  0.7382 50.366    6.2740  45.951    7.2664   63.301    12.437   11.098  0.9011 12.916  1.3328 -1.818434      1.608850  
1 1 1 16 18 5  o 6.5398  1.0385 16.287    4.8117  18.397    5.7145   11.146    8.9197   6.9292  1.1666 5.5205  1.8606 1.408696       2.196093  
1 1 1 16 18 6  o 3.8480  1.3984 4.6546    5.1000  5.7644    6.9980   3.3974    7.4480   4.3783  1.6300 4.0895  1.6373 0.2888246      2.310370  
1 1 1 17 0  1  o 35.692  1.0597 469.019   27.667  453.126   38.014   486.919   40.344   35.002  1.4879 36.282  1.5231 0.000000       0.000000  
1 1 1 17 0  2  o 5.3708  1.6707 13.270    5.7632  15.313    7.4797   10.285    9.0415   5.6206  1.9942 4.3596  2.2326 0.000000       0.000000  
1 1 1 17 0  3  o 13.843  0.7060 70.839    7.1211  97.234    11.646   55.077    8.9996   16.184  0.9902 12.118  1.0303 0.000000       0.000000  
1 1 1 17 0  4  o 25.303  0.8162 235.662   15.102  234.304   21.409   237.007   21.305   25.173  1.1660 25.321  1.1534 0.000000       0.000000  
1 1 1 17 0  5  o 25.361  0.8186 236.753   15.180  244.343   22.105   229.979   20.883   25.706  1.1789 24.940  1.1479 0.000000       0.000000  
1 1 1 17 0  6  o 3.4163  1.6422 6.3132    4.7540  6.8472    6.9399   5.8411    6.5256   3.6005  1.9249 3.3690  1.8451 0.000000       0.000000  
1 1 1 17 0  7  o 41.281  1.2136 627.976   36.649  791.476   89.165   594.740   40.201   45.920  2.6699 40.139  1.3701 0.000000       0.000000  
1 1 1 17 0  8  o 31.349  0.9653 361.883   22.133  321.559   38.998   381.042   26.881   29.353  1.8289 32.141  1.1444 0.000000       0.000000  
1 1 1 17 0  9  o 29.235  0.9189 314.720   19.646  311.448   37.795   315.931   22.997   28.887  1.8011 29.266  1.0753 0.000000       0.000000  
1 1 1 17 0  10 o 41.434  1.2137 632.830   36.790  635.578   72.771   631.886   42.640   41.168  2.4310 41.361  1.4102 0.000000       0.000000  
1 1 1 17 0  11 o 23.307  0.8180 200.122   13.936  216.167   27.422   194.535   16.181   24.068  1.5698 22.954  0.9656 0.000000       0.000000  
1 1 1 17 0  12 o 19.733  0.7550 143.523   10.883  132.550   19.015   148.869   13.272   18.822  1.3959 20.074  0.9062 0.000000       0.000000  
1 1 1 17 0  13 o 8.4879  0.9549 27.448    5.7472  30.905    9.6494   25.547    7.1547   8.7067  1.6968 8.0269  1.3245 0.000000       0.000000  
1 1 1 17 0  14 o 20.740  0.7841 158.573   11.881  147.253   20.755   164.090   14.490   19.834  1.4454 21.072  0.9425 0.000000       0.000000  
1 1 1 17 0  15 o 11.096  0.8298 45.967    6.6617  58.021    11.991   40.587    8.0118   12.327  1.3705 10.339  1.0846 0.000000       0.000000  
1 1 1 17 0  16 o 19.250  1.1919 138.018   16.669  164.254   22.349   105.123   25.025   20.939  1.4729 16.391  2.1930 0.000000       0.000000  
1 1 1 17 0  17 o 7.6862  1.6663 24.645    8.2300  0.0000    0.0000   24.645    8.2300   7.6862  1.6663 7.6862  1.6663 0.000000       0.000000  
1 1 1 17 0  18 o 13.150  0.7791 64.198    7.4488  83.301    14.079   56.771    8.7781   14.852  1.3171 12.304  0.9880 0.000000       0.000000  
1 1 1 17 0  19 o 1.9434  1.3090 -2.3287   5.3596  1.0991    8.9268   -4.2608   6.7020   2.9613  1.8823 2.0557  1.4065 0.000000       0.000000  
1 1 1 17 1  0  o 26.986  0.8512 268.019   16.799  266.065   23.748   269.976   23.768   26.828  1.2133 27.027  1.2053 0.000000       0.000000  
1 1 1 17 1  1  o 24.812  0.5699 225.877   10.365  232.768   14.939   219.480   14.394   25.173  0.8096 24.444  0.8034 0.7286282      1.140578  
1 1 1 17 1  2  o 20.889  0.5232 160.072   8.0104  184.265   12.298   142.245   10.557   22.401  0.7490 19.682  0.7318 2.718296       1.047160  
1 1 1 17 1  3  o 42.089  0.8624 650.977   26.604  638.376   36.927   664.576   38.360   41.624  1.2104 42.466  1.2324 -0.8414154     1.727391  
1 1 1 17 1  4  o 27.857  0.6542 284.850   13.357  282.748   20.163   286.495   17.830   27.724  0.9922 27.919  0.8713 -0.1950207     1.320463  
1 1 1 17 1  5  o 36.278  0.7590 483.401   20.183  515.393   30.184   457.527   27.144   37.413  1.1007 35.257  1.0504 2.155376       1.521459  
1 1 1 17 1  6  o 23.965  0.6061 210.784   10.647  221.068   14.611   199.141   15.546   24.528  0.8127 23.272  0.9114 1.256054       1.221116  
1 1 1 17 1  7  o 42.285  0.8742 657.307   27.095  626.098   36.557   695.348   40.360   41.211  1.2102 43.418  1.2682 -2.206818      1.753040  
1 1 1 17 1  8  o 18.167  0.5182 121.087   6.8999  116.226   9.6611   126.147   9.8578   17.788  0.7410 18.533  0.7257 -0.7444572     1.037161  
1 1 1 17 1  9  o 28.282  0.6422 293.663   13.314  279.452   17.985   310.893   19.803   27.567  0.8901 29.072  0.9293 -1.505062      1.286819  
1 1 1 17 1  10 o 33.251  0.7202 406.126   17.552  449.731   26.916   373.867   23.151   34.945  1.0509 31.871  0.9911 3.074867       1.444476  
1 1 1 17 1  11 o 33.767  0.7266 418.893   17.983  397.025   24.301   445.366   26.736   32.837  1.0097 34.772  1.0490 -1.935215      1.455977  
1 1 1 17 1  12 o 20.696  0.5494 157.200   8.3340  163.287   12.144   151.781   11.458   21.077  0.7861 20.322  0.7692 0.7548962      1.099840  
1 1 1 17 1  13 o 27.015  0.6268 267.986   12.412  257.443   17.033   279.922   18.123   26.452  0.8785 27.581  0.8965 -1.128477      1.255169  
1 1 1 17 1  14 o 12.211  0.5513 54.741    4.9341  50.079    6.8037   59.914    7.1661   11.642  0.8023 12.742  0.7709 -1.100488      1.112616  
1 1 1 17 1  15 o 30.283  0.6845 337.049   15.194  368.376   22.831   312.142   20.357   31.610  0.9854 29.103  0.9543 2.507187       1.371771  
1 1 1 17 1  16 o 18.212  0.6662 121.927   8.8929  127.244   16.010   119.555   10.695   18.505  1.1866 18.020  0.8097 0.4848671      1.436538  
1 1 1 17 1  17 o 2.6822  1.1772 -1.1008   4.4470  5.6589    6.7469   -6.2934   5.9134   4.3531  1.6044 2.5872  1.2168 1.765905       2.013631  
1 1 1 17 1  18 o 16.562  0.5455 100.779   6.6223  104.195   9.4252   97.449    9.3068   16.820  0.7645 16.265  0.7807 0.5552921      1.092675  
1 1 1 17 1  19 o 21.717  0.5782 173.329   9.2037  169.594   12.974   177.112   13.059   21.450  0.8252 21.922  0.8127 -0.4722328     1.158222  
1 1 1 17 2  0  o 11.287  0.7267 47.311    5.9547  48.354    8.6701   46.380    8.1927   11.328  1.0659 11.099  1.0273 0.000000       0.000000  
1 1 1 17 2  1  f 19.567  0.5366 140.454   7.6959  133.453   11.308   146.495   10.504   19.060  0.8094 19.975  0.7174 -0.9147320     1.081612  
1 1 1 17 2  2  o 23.232  0.5863 198.055   9.9841  193.101   14.955   202.039   13.410   22.921  0.8902 23.454  0.7801 -0.5323563     1.183619  
1 1 1 17 2  3  o 25.891  0.5913 245.982   11.221  238.744   15.633   253.675   16.116   25.490  0.8368 26.275  0.8368 -0.7849731     1.183412  
1 1 1 17 2  4  o 33.125  0.7015 402.889   17.031  398.742   23.846   407.208   24.334   32.923  0.9882 33.270  0.9979 -0.3464508     1.404364  
1 1 1 17 2  5  f 29.993  0.6549 330.230   14.396  319.789   19.725   342.133   21.060   29.491  0.9125 30.501  0.9420 -1.009596      1.311511  
1 1 1 17 2  6  o 33.326  0.7127 407.861   17.408  400.669   21.868   420.304   28.764   33.011  0.9038 33.774  1.1620 -0.7632256     1.472065  
1 1 1 17 2  7  o 60.166  1.2047 1334.52   53.124  1332.82   75.084   1336.21   75.174   59.949  1.7088 60.025  1.7086 -0.7618332E-01 2.416485  
1 1 1 17 2  8  o 13.342  0.5155 65.305    5.0412  59.085    6.8953   72.446    7.3888   12.661  0.7463 14.026  0.7211 -1.365519      1.037829  
1 1 1 17 2  9  o 14.813  0.5093 80.500    5.5290  73.387    7.5732   88.619    8.0907   14.115  0.7345 15.533  0.7106 -1.417857      1.022017  
1 1 1 17 2  10 o 16.373  0.5107 98.355    6.1286  101.328   8.7523   95.495    8.5843   16.609  0.7190 16.123  0.7264 0.4855709      1.022034  
1 1 1 17 2  11 o 31.414  0.6902 362.454   15.892  332.671   20.964   402.695   24.368   30.065  0.9513 33.070  1.0053 -3.005087      1.384080  
1 1 1 17 2  12 o 42.892  0.8867 676.776   27.876  691.816   40.125   662.746   38.755   43.281  1.2649 42.366  1.2480 0.9148140      1.776930  
1 1 1 17 2  13 o 13.491  0.5433 66.804    5.3726  64.794    7.6365   68.775    7.5601   13.252  0.7898 13.658  0.7582 -0.4058895     1.094807  
1 1 1 17 2  14 o 48.829  1.0006 878.707   35.813  877.787   50.405   879.645   50.893   48.668  1.4130 48.715  1.4253 -0.4674911E-01 2.007023  
1 1 1 17 2  15 o 30.582  0.7362 343.928   16.503  332.470   24.460   353.501   22.358   30.003  1.1123 30.963  0.9852 -0.9602718     1.485866  
1 1 1 17 2  16 o 31.086  0.9861 356.621   22.469  395.554   46.936   345.047   25.592   32.341  1.9897 30.541  1.1433 1.799788       2.294752  
1 1 1 17 2  17 o 20.642  0.9089 157.179   13.751  167.576   18.300   143.695   20.841   21.235  1.1805 19.584  1.4625 1.650681       1.879439  
1 1 1 17 2  18 o 30.528  0.6979 342.984   15.617  370.745   23.369   320.581   20.993   31.669  1.0068 29.457  0.9723 2.211746       1.399629  
1 1 1 17 2  19 o 6.5644  0.8646 16.163    4.0589  15.150    5.6699   17.227    5.8131   6.2759  1.2761 6.7116  1.2269 -0.4357510     1.770185  
1 1 1 17 3  0  o 60.275  1.7036 1341.84   75.129  1322.44   104.770  1362.38   107.791  59.606  2.4070 60.491  2.4402 0.000000       0.000000  
1 1 1 17 3  1  o 15.573  0.4815 88.956    5.4961  87.694    7.7415   90.240    7.8042   15.455  0.6834 15.678  0.6791 -0.2229280     0.9634501 
1 1 1 17 3  2  o 45.201  0.9271 751.236   30.715  738.159   42.642   765.338   44.280   44.735  1.3005 45.546  1.3264 -0.8102264     1.857590  
1 1 1 17 3  3  o 7.8103  0.6446 22.544    3.6573  19.886    5.1593   25.229    5.1852   7.2860  0.9919 8.2392  0.8719 -0.9531217     1.320580  
1 1 1 17 3  4  o 31.203  0.6792 357.469   15.534  355.999   21.973   358.939   21.964   31.110  0.9636 31.239  0.9593 -0.1287041     1.359679  
1 1 1 17 3  5  o 15.654  0.4877 89.897    5.5963  96.572    8.2200   84.129    7.6405   16.217  0.6915 15.137  0.6887 1.080721       0.9759401 
1 1 1 17 3  6  o 3.5215  1.1526 4.3822    3.4289  -3.8030   4.5760   14.862    5.1779   2.3955  1.1076 6.2504  1.1733 -3.854884      1.613504  
1 1 1 17 3  7  o 29.868  0.6562 327.518   14.365  332.420   20.565   322.848   20.074   30.063  0.9333 29.628  0.9244 0.4349728      1.313576  
1 1 1 17 3  8  o 25.888  0.6038 245.996   11.458  244.261   16.178   247.742   16.230   25.777  0.8563 25.960  0.8530 -0.1833248     1.208628  
1 1 1 17 3  9  f 8.2203  0.6589 24.971    3.9366  26.996    5.5905   22.979    5.5441   8.5192  0.9094 7.8406  0.9866 0.6786141      1.341732  
1 1 1 17 3  10 o 17.478  0.5178 112.089   6.6330  106.809   9.0695   118.162   9.7259   17.051  0.7257 17.934  0.7399 -0.8825302     1.036374  
1 1 1 17 3  11 o 14.269  0.5259 74.717    5.4999  80.211    7.9234   69.609    7.6404   14.775  0.7316 13.742  0.7615 1.033538       1.056038  
1 1 1 17 3  12 o 22.773  0.5757 190.365   9.6086  212.871   14.527   172.860   12.812   24.061  0.8237 21.683  0.8061 2.377295       1.152527  
1 1 1 17 3  13 o 26.781  0.6221 263.395   12.212  271.099   17.620   256.275   16.940   27.141  0.8857 26.390  0.8758 0.7512646      1.245564  
1 1 1 17 3  14 o 34.415  0.7474 435.469   18.853  461.797   27.957   413.507   25.533   35.379  1.0781 33.486  1.0403 1.893143       1.498175  
1 1 1 17 3  15 o 10.487  0.6018 40.531    4.6062  40.849    6.5246   40.215    6.5038   10.498  0.8554 10.415  0.8597 0.8293343E-01  1.212726  
1 1 1 17 3  16 o 16.082  0.7553 95.191    8.9039  78.501    14.600   105.074   11.235   14.467  1.3941 16.856  0.9128 -2.388732      1.666320  
1 1 1 17 3  17 o 19.982  0.7867 147.059   11.522  140.365   13.418   165.858   22.485   19.501  0.9387 21.042  1.4671 -1.541094      1.741716  
1 1 1 17 3  18 o 15.462  0.5754 87.873    6.5213  89.835    9.1355   85.835    9.3120   15.592  0.8021 15.235  0.8371 0.3576250      1.159353  
1 1 1 17 3  19 f 25.128  0.7491 232.519   13.796  242.155   19.726   223.292   19.301   25.583  1.0520 24.562  1.0721 1.021072       1.502022  
1 1 1 17 4  0  o 34.956  1.0563 450.010   27.008  421.377   36.521   484.571   40.123   33.739  1.4834 36.186  1.5189 0.000000       0.000000  
1 1 1 17 4  1  o 36.845  0.7653 498.684   20.668  511.845   29.875   486.602   28.624   37.284  1.0932 36.356  1.0742 0.9280624      1.532627  
1 1 1 17 4  2  o 34.043  0.7689 425.731   19.185  447.010   26.432   402.039   27.891   34.850  1.0348 33.034  1.1519 1.816322       1.548449  
1 1 1 17 4  3  o 29.701  0.6450 323.840   14.041  318.880   19.590   329.081   20.134   29.449  0.9076 29.915  0.9183 -0.4661732     1.291080  
1 1 1 17 4  4  o 40.406  0.8356 600.033   24.746  612.013   35.410   588.597   34.597   40.749  1.1856 39.962  1.1812 0.7862816      1.673548  
1 1 1 17 4  5  o 18.643  0.5455 127.527   7.4543  135.257   10.165   118.534   10.964   19.191  0.7227 17.959  0.8330 1.231848       1.102760  
1 1 1 17 4  6  o 12.090  0.5131 53.631    4.5473  54.016    6.0466   53.130    6.8992   12.109  0.6841 11.999  0.7889 0.1102943      1.044139  
1 1 1 17 4  7  o 27.509  0.6198 277.783   12.497  286.701   18.165   269.769   17.220   27.923  0.8875 27.088  0.8673 0.8350506      1.240946  
1 1 1 17 4  8  o 27.929  0.6288 286.362   12.872  281.117   17.994   291.860   18.421   27.648  0.8879 28.171  0.8922 -0.5228577     1.258721  
1 1 1 17 4  9  o 8.3734  0.6460 25.897    3.9340  28.844    5.7024   23.220    5.4343   8.8106  0.8955 7.8858  0.9600 0.9247398      1.312796  
1 1 1 17 4  10 o 25.655  0.6024 241.633   11.328  234.895   15.770   248.815   16.283   25.274  0.8513 26.012  0.8540 -0.7377987     1.205870  
1 1 1 17 4  11 o 10.062  0.5904 37.293    4.3348  37.951    6.1275   36.634    6.1333   10.125  0.8331 9.9446  0.8496 0.1804781      1.189865  
1 1 1 17 4  12 o 33.332  0.7257 408.262   17.729  388.050   24.127   431.986   26.139   32.455  1.0143 34.238  1.0416 -1.783108      1.453861  
1 1 1 17 4  13 o 29.754  0.6756 325.268   14.734  346.977   21.796   307.001   19.994   30.690  0.9690 28.872  0.9448 1.818350       1.353340  
1 1 1 17 4  14 o 5.3326  1.1825 10.918    4.5007  5.1972    5.6281   21.066    7.4961   4.0826  1.4713 7.4144  1.4312 -3.331772      2.052576  
1 1 1 17 4  15 o 13.561  0.6096 67.572    6.0593  78.415    9.8107   60.885    7.7043   14.556  0.9244 12.833  0.8234 1.722578       1.237947  
1 1 1 17 4  16 o 16.631  0.7388 101.794   9.0057  89.014    11.186   125.338   15.182   15.495  0.9901 18.368  1.1332 -2.873028      1.504803  
1 1 1 17 4  17 o 7.5876  1.0746 21.713    5.8092  19.536    7.2967   25.482    9.6003   7.1148  1.4485 8.1027  1.6720 -0.9879022     2.212124  
1 1 1 17 4  18 o 7.3353  0.7926 20.056    4.1937  17.863    6.0282   22.114    5.8380   6.8314  1.2500 7.6576  1.0693 -0.8262167     1.644966  
1 1 1 17 5  0  o 18.916  0.8324 132.085   11.490  150.615   15.231   107.605   17.506   20.171  1.0364 16.921  1.4353 0.000000       0.000000  
1 1 1 17 5  1  o 26.070  0.5853 249.421   11.183  249.700   15.795   249.141   15.836   26.066  0.8267 26.036  0.8298 0.2943802E-01  1.171340  
1 1 1 17 5  2  o 10.848  0.5217 43.177    4.1479  39.506    5.7767   47.083    5.9597   10.342  0.7676 11.299  0.7234 -0.9576845     1.054725  
1 1 1 17 5  3  o 18.324  0.5004 123.177   6.7200  133.742   9.8802   114.081   9.1670   19.084  0.7064 17.625  0.7096 1.458624       1.001244  
1 1 1 17 5  4  o 6.7999  0.7368 17.183    3.6136  14.047    5.1273   20.277    5.0935   6.0687  1.1952 7.3615  0.9674 -1.292746      1.537687  
1 1 1 17 5  5  o 26.213  0.6323 252.248   12.149  251.253   16.155   253.544   18.430   26.144  0.8431 26.251  0.9579 -0.1073608     1.276025  
1 1 1 17 5  6  o 17.219  0.5016 108.773   6.3305  103.833   8.0721   116.664   10.203   16.817  0.6549 17.818  0.7812 -1.001741      1.019405  
1 1 1 17 5  7  o 23.760  0.5741 207.194   9.9971  204.181   14.112   210.230   14.164   23.569  0.8169 23.916  0.8080 -0.3473148     1.149015  
1 1 1 17 5  8  o 9.3927  0.5944 32.513    4.0710  35.370    5.8217   29.780    5.6950   9.7749  0.8201 8.9559  0.8789 0.8189945      1.202117  
1 1 1 17 5  9  o 37.360  0.9139 513.542   25.026  568.658   33.353   442.529   37.859   39.267  1.1589 34.567  1.4942 4.699482       1.890952  
1 1 1 17 5  10 o 30.497  0.7823 341.880   17.488  343.325   24.956   340.487   24.513   30.514  1.1158 30.390  1.1005 0.1238499      1.567204  
1 1 1 17 5  11 o 32.522  0.7577 388.736   18.061  407.670   24.791   367.324   26.364   33.266  1.0168 31.556  1.1399 1.710026       1.527462  
1 1 1 17 5  12 o 17.630  0.5292 114.086   6.8384  105.933   9.3187   123.600   10.066   16.976  0.7489 18.337  0.7490 -1.360989      1.059175  
1 1 1 17 5  13 o 34.071  0.7356 426.766   18.370  406.325   24.859   451.356   27.266   33.196  1.0217 34.979  1.0635 -1.782318      1.474756  
1 1 1 17 5  14 o 12.311  0.6060 55.678    5.4685  52.095    8.5586   58.150    7.1089   11.844  0.9951 12.548  0.7768 -0.7045488     1.262408  
1 1 1 17 5  15 f 24.428  0.7049 219.497   12.621  214.804   21.961   221.812   15.423   24.041  1.2506 24.535  0.8576 -0.4948921     1.516406  
1 1 1 17 5  16 o 28.932  0.7582 308.205   16.078  312.704   22.570   303.569   22.910   29.078  1.0590 28.642  1.0913 0.4359455      1.520623  
1 1 1 17 5  17 o 10.701  0.8452 42.487    6.5751  35.955    8.3668   53.037    10.632   9.7744  1.1926 11.888  1.2384 -2.114017      1.719238  
1 1 1 17 5  18 o 20.896  0.5690 160.487   8.7148  146.119   11.702   178.376   13.058   19.910  0.8019 21.997  0.8099 -2.086914      1.139697  
1 1 1 17 6  0  o 1.9552  1.2816 -0.7098   4.5832  7.8897    6.8596   -7.6444   6.1599   3.8181  1.9470 1.7092  1.2082 0.000000       0.000000  
1 1 1 17 6  1  o 26.986  0.6007 267.303   11.881  258.540   16.323   277.179   17.328   26.521  0.8397 27.458  0.8610 -0.9372368     1.202673  
1 1 1 17 6  2  o 25.485  0.5790 238.377   10.816  251.487   15.912   227.116   14.747   26.157  0.8299 24.859  0.8094 1.297892       1.159249  
1 1 1 17 6  3  o 16.619  0.5693 101.364   6.9348  91.537    9.3936   113.135   10.281   15.760  0.8160 17.546  0.7994 -1.785299      1.142317  
1 1 1 17 6  4  o 20.868  0.6584 159.891   10.071  147.425   14.945   170.259   13.630   19.985  1.0237 21.519  0.8641 -1.533932      1.339684  
1 1 1 17 6  5  o 11.613  0.6286 49.659    5.3312  45.037    6.7274   57.460    8.7405   11.037  0.8379 12.459  0.9647 -1.422006      1.277732  
1 1 1 17 6  6  o 17.679  0.5075 114.674   6.5765  117.604   8.6110   110.573   10.188   17.896  0.6565 17.344  0.8014 0.5516129      1.035923  
1 1 1 17 6  7  o 21.840  0.5484 175.044   8.7782  168.798   12.160   181.842   12.685   21.431  0.7741 22.244  0.7781 -0.8122940     1.097543  
1 1 1 17 6  8  o 21.441  0.5478 168.722   8.6097  152.476   11.419   190.126   13.107   20.369  0.7648 22.743  0.7863 -2.374399      1.096901  
1 1 1 17 6  9  o 27.459  0.6251 276.866   12.582  275.882   17.697   277.871   17.892   27.384  0.8817 27.482  0.8882 -0.9777641E-01 1.251534  
1 1 1 17 6  10 o 6.5188  0.8203 15.872    3.8327  16.994    5.5174   14.825    5.3280   6.6912  1.1675 6.2324  1.2100 0.4587750      1.681374  
1 1 1 17 6  11 o 39.177  0.8234 564.533   23.643  564.446   33.443   564.619   33.430   39.102  1.1669 39.108  1.1662 -0.6160736E-02 1.649760  
1 1 1 17 6  12 o 19.411  0.5350 138.311   7.6110  147.291   11.229   130.681   10.351   20.014  0.7655 18.853  0.7491 1.160868       1.071037  
1 1 1 17 6  13 o 15.681  0.5368 90.273    6.1693  89.047    8.6650   91.532    8.7857   15.560  0.7598 15.775  0.7598 -0.2156277     1.074512  
1 1 1 17 6  14 o 21.236  0.5586 165.643   8.6943  162.977   12.202   168.391   12.391   21.041  0.7912 21.388  0.7904 -0.3467388     1.118382  
1 1 1 17 6  15 o 4.1290  1.4287 5.7518    5.2660  9.2171    9.0248   3.9629    6.4843   5.2728  1.8670 4.0149  1.5516 1.257939       2.427581  
1 1 1 17 6  16 o 29.944  0.7273 330.100   15.963  336.835   24.790   325.330   20.865   30.155  1.1216 29.678  0.9592 0.4769001      1.475830  
1 1 1 17 6  17 o 5.8763  1.2856 13.334    5.3834  24.948    7.3420   -0.1713   7.9170   8.0956  1.2799 3.7552  1.6094 4.340435       2.056254  
1 1 1 17 6  18 o 14.382  0.5609 76.020    5.9126  74.438    8.3140   77.640    8.4103   14.188  0.8028 14.492  0.7948 -0.3041353     1.129674  
1 1 1 17 7  0  o 21.122  0.8930 164.674   13.770  177.035   17.946   146.983   21.470   21.861  1.1268 19.810  1.4984 0.000000       0.000000  
1 1 1 17 7  1  o 16.910  0.5668 104.944   7.0246  91.677    9.4341   121.452   10.523   15.771  0.8189 18.179  0.7898 -2.407505      1.137729  
1 1 1 17 7  2  o 16.189  0.6130 96.210    7.2740  99.555    9.7264   91.965    10.957   16.458  0.8063 15.780  0.9518 0.6772776      1.247412  
1 1 1 17 7  3  o 21.494  0.6141 169.606   9.6743  176.399   13.994   163.387   13.389   21.901  0.8718 21.079  0.8666 0.8228226      1.229216  
1 1 1 17 7  4  o 26.195  0.5975 251.885   11.472  261.045   16.753   243.799   15.741   26.644  0.8579 25.751  0.8340 0.8927307      1.196464  
1 1 1 17 7  5  o 17.381  0.5002 110.844   6.3728  105.939   8.1147   118.737   10.294   16.985  0.6518 17.974  0.7814 -0.9887600     1.017573  
1 1 1 17 7  6  o 7.2043  0.7105 19.252    3.7029  27.283    5.1435   10.610    5.3352   8.5744  0.8287 5.2603  1.3701 3.314115       1.601266  
1 1 1 17 7  7  o 36.159  0.7661 480.544   20.304  458.464   27.507   506.974   30.095   35.271  1.0640 37.082  1.1073 -1.810562      1.535642  
1 1 1 17 7  8  o 20.184  0.5382 149.526   7.9630  155.192   11.454   144.225   11.078   20.548  0.7605 19.808  0.7630 0.7395134      1.077297  
1 1 1 17 7  9  f 15.535  0.5102 88.563    5.8098  83.503    8.0554   94.049    8.3873   15.074  0.7291 15.998  0.7153 -0.9244623     1.021360  
1 1 1 17 7  10 f 14.644  0.5345 78.708    5.7365  67.748    7.9981   90.319    8.2324   13.548  0.8091 15.677  0.7164 -2.128565      1.080718  
1 1 1 17 7  11 o 18.845  0.5380 130.364   7.4310  136.050   10.891   125.411   10.165   19.234  0.7725 18.468  0.7509 0.7656078      1.077330  
1 1 1 17 7  12 o 3.8570  1.1844 5.4990    3.6702  8.1479    5.2774   3.0177    5.1077   4.6724  1.4174 3.5567  1.3764 1.115667       1.975683  
1 1 1 17 7  13 o 22.187  0.5691 180.819   9.2557  174.573   12.795   187.676   13.406   21.777  0.8016 22.578  0.8101 -0.8014374     1.139637  
1 1 1 17 7  14 o 27.531  0.6385 278.649   12.885  269.542   17.787   288.704   18.690   27.036  0.8976 27.977  0.9114 -0.9418087     1.279240  
1 1 1 17 7  15 o 19.405  0.7818 138.712   11.119  144.152   20.277   136.373   13.296   19.617  1.4198 19.218  0.9439 0.3989658      1.704977  
1 1 1 17 7  16 f 17.134  0.5454 107.883   6.8500  104.729   9.6716   111.058   9.7031   16.858  0.7827 17.362  0.7625 -0.5044003     1.092741  
1 1 1 17 7  17 o 13.854  0.7386 70.902    7.4736  73.310    9.8458   67.628    11.480   14.050  0.9618 13.448  1.1765 0.6027222      1.519659  
1 1 1 17 8  0  o 26.173  0.8542 252.280   16.347  228.093   21.591   284.768   25.024   24.820  1.1931 27.743  1.2362 0.000000       0.000000  
1 1 1 17 8  1  o 33.256  0.7103 406.292   17.315  413.767   24.853   399.242   24.136   33.518  1.0116 32.927  1.0001 0.5917587      1.422526  
1 1 1 17 8  2  o 19.903  0.5148 145.367   7.5102  141.619   10.402   149.447   10.854   19.633  0.7229 20.167  0.7343 -0.5344563     1.030403  
1 1 1 17 8  3  o 14.833  0.4883 80.729    5.3084  76.090    7.3855   85.687    7.6351   14.392  0.7001 15.274  0.6820 -0.8816280     0.9774133 
1 1 1 17 8  4  o 36.814  0.7697 498.138   20.770  504.924   26.757   487.848   32.946   37.029  0.9858 36.348  1.2367 0.6814651      1.581517  
1 1 1 17 8  5  o 11.258  0.5239 46.513    4.3227  46.173    5.7629   46.949    6.5364   11.188  0.7064 11.273  0.7962 -0.8425045E-01 1.064380  
1 1 1 17 8  6  o 7.5345  0.6908 21.030    3.7723  22.842    5.1381   18.911    5.5561   7.8256  0.9129 7.0780  1.1073 0.7476325      1.435089  
1 1 1 17 8  7  o 8.6543  0.6675 27.676    4.2013  24.817    6.3546   29.895    5.5997   8.1318  1.0939 8.9734  0.8620 -0.8416061     1.392720  
1 1 1 17 8  8  o 24.010  0.6623 211.769   11.655  205.562   19.501   215.219   14.537   23.603  1.1272 24.190  0.8199 -0.5867748     1.393860  
1 1 1 17 8  9  o 17.013  0.6728 106.348   8.3902  96.627    13.014   113.262   10.975   16.145  1.1064 17.544  0.8535 -1.398901      1.397378  
1 1 1 17 8  10 o 31.853  0.8077 373.288   18.857  336.160   24.321   429.251   29.859   30.178  1.0995 34.079  1.1954 -3.901327      1.624163  
1 1 1 17 8  11 f 8.3913  0.6850 26.053    4.1762  27.973    5.8999   24.124    5.9124   8.6617  0.9446 8.0221  1.0293 0.6395960      1.397029  
1 1 1 17 8  12 o 18.309  0.5271 123.094   7.0735  122.840   10.070   123.342   9.9384   18.272  0.7519 18.311  0.7405 -0.3836250E-01 1.055310  
1 1 1 17 8  13 o 27.370  0.6334 275.400   12.707  275.367   18.076   275.433   17.866   27.325  0.9025 27.330  0.8919 -0.5317688E-02 1.268864  
1 1 1 17 8  14 o 22.768  0.6797 190.726   11.342  186.241   16.819   194.466   15.361   22.443  1.0224 22.954  0.9130 -0.5107632     1.370741  
1 1 1 17 8  15 o 27.788  0.7402 284.411   15.076  282.393   20.877   286.611   21.796   27.625  1.0310 27.820  1.0689 -0.1955433     1.485106  
1 1 1 17 8  16 o 12.546  0.5565 57.855    5.1174  55.158    7.2481   60.536    7.2260   12.202  0.8151 12.792  0.7743 -0.5898705     1.124264  
1 1 1 17 8  17 o 14.592  0.7513 78.664    8.0087  83.218    10.666   72.779    12.126   14.970  0.9775 13.947  1.1978 1.022158       1.546003  
1 1 1 17 9  0  o 10.511  0.7506 41.163    5.7151  37.949    8.4060   43.925    7.7935   9.9487  1.1989 10.796  1.0049 0.000000       0.000000  
1 1 1 17 9  1  o 54.893  1.1030 1111.25   44.378  1071.46   60.637   1157.15   65.123   53.743  1.5394 55.827  1.5915 -2.084492      2.214166  
1 1 1 17 9  2  o 24.009  0.5599 211.602   9.8524  227.214   14.622   198.619   13.334   24.858  0.8025 23.243  0.7827 1.614840       1.120981  
1 1 1 17 9  3  o 20.989  0.5223 161.673   8.0344  170.303   11.758   154.115   11.004   21.526  0.7453 20.478  0.7331 1.047653       1.045411  
1 1 1 17 9  4  o 53.902  1.0913 1071.54   43.114  1064.84   54.377   1082.89   70.750   53.631  1.3833 53.900  1.7908 -0.2691460     2.262891  
1 1 1 17 9  5  o 23.816  0.5627 208.223   9.8229  213.904   12.867   200.287   15.207   24.125  0.7277 23.328  0.8894 0.7970371      1.149168  
1 1 1 17 9  6  o 41.917  0.8656 646.584   26.595  701.105   36.246   583.006   39.141   43.585  1.1346 39.688  1.3455 3.896629       1.760060  
1 1 1 17 9  7  o 11.404  0.5487 47.744    4.5866  53.081    6.7365   43.132    6.2623   11.990  0.7706 10.800  0.7967 1.190099       1.108396  
1 1 1 17 9  8  o 27.473  0.6230 277.242   12.546  265.609   17.281   290.205   18.243   26.861  0.8778 28.076  0.8865 -1.214901      1.247539  
1 1 1 17 9  9  o 21.626  0.5520 171.728   8.7498  169.740   12.388   173.708   12.360   21.480  0.7869 21.731  0.7760 -0.2507267     1.105125  
1 1 1 17 9  10 o 17.118  0.5153 107.571   6.4648  105.005   9.1722   110.104   9.1132   16.897  0.7406 17.304  0.7185 -0.4072590     1.031893  
1 1 1 17 9  11 o 15.280  0.5185 85.730    5.8075  86.334    8.3365   85.160    8.0950   15.318  0.7425 15.215  0.7259 0.1032305      1.038349  
1 1 1 17 9  12 o 8.8783  0.6428 29.132    4.1549  27.730    5.8983   30.514    5.8538   8.6167  0.9497 9.0528  0.8939 -0.4361477     1.304205  
1 1 1 17 9  13 o 24.968  0.6441 229.288   11.787  222.949   15.498   237.988   18.156   24.586  0.8600 25.379  0.9760 -0.7924480     1.300867  
1 1 1 17 9  14 o 35.555  1.0926 468.413   28.474  484.023   56.339   463.057   32.998   35.512  2.1749 35.280  1.2761 0.2320786      2.521639  
1 1 1 17 9  15 o 18.539  0.5551 126.348   7.5426  113.803   10.409   140.216   10.945   17.565  0.8085 19.504  0.7656 -1.938576      1.113485  
1 1 1 17 9  16 f 2.7253  1.1712 -0.2706   4.2141  -7.1043   7.0924   3.4585    5.2392   2.8598  1.3410 3.6563  1.3994 -0.7965107     1.938185  
1 1 1 17 10 0  o 2.3011  1.3972 1.7864    4.3840  2.5624    6.6962   1.2042    5.7997   2.8152  1.7174 2.4673  1.5468 0.000000       0.000000  
1 1 1 17 10 1  o 26.241  0.5948 252.852   11.439  266.512   16.829   241.119   15.597   26.912  0.8532 25.600  0.8312 1.311468       1.191136  
1 1 1 17 10 2  o 28.837  0.6370 305.462   13.464  283.587   17.940   333.674   20.374   27.757  0.8818 30.102  0.9234 -2.345207      1.276834  
1 1 1 17 10 3  o 28.014  0.6630 288.335   13.613  298.827   18.616   276.277   19.957   28.491  0.8915 27.380  0.9945 1.111061       1.335536  
1 1 1 17 10 4  o 20.995  0.5270 161.796   8.1090  165.975   10.648   156.025   12.512   21.253  0.6835 20.593  0.8290 0.6598892      1.074433  
1 1 1 17 10 5  o 12.266  0.5044 55.222    4.5350  51.929    5.9706   59.711    6.9722   11.867  0.6894 12.722  0.7511 -0.8541670     1.019480  
1 1 1 17 10 6  o 12.116  0.5266 53.890    4.6764  61.197    6.4561   45.825    6.7827   12.886  0.6860 11.128  0.8378 1.758390       1.082811  
1 1 1 17 10 7  o 41.898  0.8664 646.352   26.607  640.335   37.408   652.513   37.852   41.604  1.2267 41.997  1.2297 -0.3928261     1.736922  
1 1 1 17 10 8  o 6.4725  0.8091 15.656    3.7547  14.545    5.4763   16.641    5.1579   6.1590  1.2557 6.6262  1.1006 -0.4671226     1.669763  
1 1 1 17 10 9  o 16.273  0.5193 97.232    6.1937  105.011   9.1785   90.728    8.3926   16.896  0.7412 15.706  0.7291 1.190019       1.039641  
1 1 1 17 10 10 o 12.310  0.5449 55.660    4.9164  49.902    6.8694   61.707    7.0393   11.612  0.8122 12.928  0.7461 -1.315408      1.102855  
1 1 1 17 10 11 o 4.0845  1.1752 6.3225    3.7076  7.0868    5.2112   5.5390    5.2762   4.4140  1.4192 4.0839  1.4291 0.3300405      2.014051  
1 1 1 17 10 12 o 8.0890  0.6825 24.249    4.0090  29.735    5.8016   19.235    5.5461   8.9312  0.8984 7.1263  1.0970 1.804966       1.417950  
1 1 1 17 10 13 o 12.673  0.5605 59.039    5.2067  52.945    7.1878   65.767    7.5526   11.953  0.8255 13.336  0.7760 -1.382811      1.133004  
1 1 1 17 10 14 o 26.934  0.9000 268.045   17.767  289.634   35.216   260.674   20.578   27.636  1.7476 26.519  1.0587 1.116795       2.043224  
1 1 1 17 10 15 o 9.3872  0.6567 32.594    4.4897  30.348    6.2304   35.021    6.4755   9.0081  0.9584 9.6903  0.9229 -0.6821976     1.330458  
1 1 1 17 11 0  f 4.9826  1.4840 11.261    4.7175  3.9482    7.1099   17.013    6.3054   3.0851  1.8248 6.2786  1.5843 0.000000       0.000000  
1 1 1 17 11 1  o 17.144  0.4930 107.879   6.1957  115.929   9.0975   100.916   8.4611   17.759  0.6989 16.570  0.6967 1.189653       0.9868249 
1 1 1 17 11 2  o 10.878  0.5729 43.577    4.5516  47.322    6.1664   39.094    6.7466   11.320  0.7474 10.263  0.9062 1.056412       1.174649  
1 1 1 17 11 3  o 22.797  0.5552 190.834   9.2776  199.014   12.282   179.963   14.159   23.266  0.7202 22.107  0.8738 1.158442       1.132354  
1 1 1 17 11 4  o 33.419  0.7119 410.619   17.439  404.374   21.931   421.356   28.758   33.131  0.9031 33.762  1.1621 -0.6312103     1.471765  
1 1 1 17 11 5  o 37.156  0.7793 507.963   21.224  510.123   27.010   504.477   34.313   37.189  0.9909 36.907  1.2684 0.2820206      1.609612  
1 1 1 17 11 6  o 6.5339  0.7818 15.932    3.6698  14.359    4.9771   17.806    5.4324   6.1349  1.1491 6.8547  1.1199 -0.7198191     1.604564  
1 1 1 17 11 7  o 5.1928  1.0057 10.287    3.6897  5.9107    5.3464   14.268    5.0985   4.1783  1.4399 6.1082  1.1815 -1.929891      1.862616  
1 1 1 17 11 8  o 23.789  0.5778 207.907   10.075  214.412   14.672   202.102   13.859   24.126  0.8297 23.427  0.8071 0.6995773      1.157503  
1 1 1 17 11 9  o 17.279  0.5322 109.669   6.7406  105.025   9.5047   114.368   9.5610   16.888  0.7679 17.626  0.7401 -0.7381783     1.066432  
1 1 1 17 11 10 o 25.602  0.6053 240.980   11.358  234.275   15.902   247.962   16.227   25.202  0.8609 25.929  0.8539 -0.7271004     1.212524  
1 1 1 17 11 11 o 6.1231  0.8747 14.113    3.8142  15.836    5.4423   12.449    5.3472   6.4301  1.1988 5.6719  1.3123 0.7582216      1.777439  
1 1 1 17 11 12 o 16.101  0.5293 95.275    6.2471  101.318   9.1318   89.960    8.5648   16.580  0.7514 15.624  0.7479 0.9565983      1.060183  
1 1 1 17 11 13 o 25.491  0.6643 239.257   12.411  265.032   20.847   225.107   15.447   26.732  1.0640 24.689  0.8536 2.043495       1.364083  
1 1 1 17 11 14 o 19.270  0.6775 136.763   9.5692  139.559   14.238   134.460   12.923   19.384  1.0056 19.067  0.9247 0.3169231      1.366118  
1 1 1 17 12 0  o 4.0185  1.6407 8.3165    4.7556  12.064    7.4820   5.7765    6.1600   4.7719  2.0701 3.3208  1.8013 0.000000       0.000000  
1 1 1 17 12 1  o 15.672  0.4927 90.161    5.6590  86.079    7.9176   94.425    8.0914   15.299  0.7061 16.025  0.6889 -0.7259073     0.9864461 
1 1 1 17 12 2  o 38.608  0.8611 549.118   24.367  531.271   31.332   576.438   38.764   37.905  1.1277 39.411  1.3419 -1.505894      1.752864  
1 1 1 17 12 3  o 42.160  0.8726 654.934   26.966  629.176   32.997   706.727   46.790   41.260  1.0911 43.582  1.4648 -2.322071      1.826482  
1 1 1 17 12 4  o 5.8426  0.8533 12.838    3.5464  13.361    4.8913   12.258    5.1495   5.9074  1.1710 5.6402  1.2755 0.2672029      1.731567  
1 1 1 17 12 5  o 17.303  0.5016 109.931   6.3619  113.245   8.4706   105.643   9.6357   17.550  0.6585 16.940  0.7760 0.6099777      1.017773  
1 1 1 17 12 6  o 51.787  1.0511 991.399   39.898  992.004   50.710   990.415   64.642   51.665  1.3391 51.395  1.7160 0.2699966      2.176644  
1 1 1 17 12 7  o 12.304  0.5240 55.609    4.7257  55.467    6.7617   55.745    6.6072   12.250  0.7568 12.283  0.7373 -0.3353119E-01 1.056554  
1 1 1 17 12 8  o 7.4520  0.7125 20.629    3.8442  15.698    5.5910   25.050    5.2943   6.3961  1.2373 8.1902  0.8966 -1.794081      1.528029  
1 1 1 17 12 9  f 10.070  0.5874 37.410    4.3164  35.571    6.1297   39.219    6.0793   9.7798  0.8640 10.281  0.8134 -0.5010176     1.186651  
1 1 1 17 12 10 o 11.623  0.5654 49.668    4.8165  48.981    7.0004   50.286    6.6372   11.490  0.8370 11.652  0.7817 -0.1616831     1.145209  
1 1 1 17 12 11 o 4.8710  1.0852 9.1436    3.7754  10.600    5.3292   7.6765    5.3491   5.2314  1.3727 4.5512  1.4351 0.6801658      1.985906  
1 1 1 17 12 12 o 12.543  0.5535 57.853    5.0885  63.389    7.4024   52.893    7.0065   13.085  0.7753 11.944  0.8050 1.141443       1.117631  
1 1 1 17 12 13 o 29.819  0.9495 329.155   20.752  340.346   40.662   325.213   24.131   29.847  1.8681 29.585  1.1128 0.2613773      2.174434  
1 1 1 17 13 0  o 18.808  0.7252 130.489   9.9639  142.292   15.395   121.982   13.070   19.570  1.0808 18.128  0.9904 0.000000       0.000000  
1 1 1 17 13 1  o 8.2356  0.6335 25.083    3.7946  19.841    5.3095   30.557    5.4250   7.2570  1.0269 9.0694  0.8251 -1.812423      1.317299  
1 1 1 17 13 2  o 6.8406  0.7426 17.427    3.6636  10.873    4.8774   25.912    5.5498   5.3072  1.2707 8.3292  0.9247 -3.022015      1.571509  
1 1 1 17 13 3  o 34.843  0.8015 447.342   20.470  406.510   25.077   528.880   35.436   33.156  1.0319 37.727  1.2815 -4.571159      1.645299  
1 1 1 17 13 4  o 5.7672  0.8946 12.559    3.6590  5.6029    4.9779   20.734    5.3967   4.0491  1.3897 7.4206  1.0191 -3.371455      1.723378  
1 1 1 17 13 5  f 35.434  0.7507 462.527   19.496  460.186   24.757   466.349   31.635   35.288  0.9572 35.432  1.2181 -0.1442223     1.549186  
1 1 1 17 13 6  o 27.501  0.6256 278.212   12.610  269.277   15.844   293.652   20.827   27.024  0.7999 28.171  1.0087 -1.146294      1.287369  
1 1 1 17 13 7  o 24.518  0.5869 221.065   10.547  209.124   14.608   234.066   15.242   23.804  0.8372 25.186  0.8257 -1.382015      1.175887  
1 1 1 17 13 8  o 12.088  0.5424 53.712    4.8055  53.535    6.9343   53.874    6.6656   12.021  0.7914 12.065  0.7576 -0.4356194E-01 1.095574  
1 1 1 17 13 9  o 17.737  0.5349 115.655   6.9534  124.778   10.352   108.153   9.3863   18.393  0.7678 17.127  0.7477 1.266279       1.071766  
1 1 1 17 13 10 o 12.762  0.5495 59.893    5.1400  58.377    7.3254   61.364    7.2140   12.550  0.8005 12.874  0.7680 -0.3239756     1.109332  
1 1 1 17 13 11 o 22.226  0.5725 181.734   9.3264  180.671   13.319   182.757   13.063   22.116  0.8217 22.247  0.8011 -0.1316700     1.147575  
1 1 1 17 13 12 o 16.737  0.5856 103.065   7.1841  104.642   11.439   102.038   9.2320   16.788  0.9333 16.631  0.7574 0.1569176      1.201926  
1 1 1 17 14 0  o 11.610  0.7394 50.131    6.2340  52.469    9.6378   48.449    8.1743   11.766  1.1423 11.340  1.0014 0.000000       0.000000  
1 1 1 17 14 1  o 15.471  0.4953 87.933    5.6167  96.117    7.5950   78.055    8.3442   16.161  0.6412 14.528  0.7865 1.633368       1.014745  
1 1 1 17 14 2  o 25.901  0.6018 246.767   11.425  265.113   15.332   223.855   17.134   26.814  0.7801 24.603  0.9502 2.210993       1.229376  
1 1 1 17 14 3  o 10.889  0.5992 43.748    4.7644  47.973    6.1166   37.230    7.5976   11.386  0.7369 9.9682  1.0560 1.417927       1.287633  
1 1 1 17 14 4  o 16.716  0.5099 102.683   6.2467  92.763    7.8658   119.623   10.279   15.871  0.6762 18.009  0.7787 -2.137728      1.031315  
1 1 1 17 14 5  o 23.714  0.5703 206.818   9.9124  217.477   13.306   193.525   14.859   24.287  0.7475 22.882  0.8859 1.404329       1.159134  
1 1 1 17 14 6  o 13.265  0.5160 64.680    5.0167  60.566    6.6189   70.233    7.6903   12.800  0.7082 13.778  0.7645 -0.9773197     1.042166  
1 1 1 17 14 7  f 13.088  0.5278 62.975    5.0628  64.634    7.3892   61.507    6.9508   13.214  0.7662 12.894  0.7386 0.3200579      1.064220  
1 1 1 17 14 8  o 17.455  0.5235 112.023   6.6972  110.773   9.6157   113.201   9.3332   17.326  0.7572 17.520  0.7268 -0.1934853     1.049547  
1 1 1 17 14 9  o 36.201  0.7786 483.878   20.660  484.863   29.594   482.941   28.855   36.095  1.1186 36.037  1.0924 0.5892563E-01  1.563530  
1 1 1 17 14 10 o 13.937  0.5369 71.439    5.4846  78.700    8.1275   65.369    7.4319   14.582  0.7631 13.286  0.7664 1.296545       1.081524  
1 1 1 17 15 0  o 34.637  1.2172 445.134   30.815  442.991   37.702   449.448   53.483   34.443  1.4999 34.367  2.1423 0.000000       0.000000  
1 1 1 17 15 1  o 14.111  0.5099 73.195    5.2740  66.435    6.7629   83.686    8.4252   13.409  0.6905 15.040  0.7668 -1.631010      1.031894  
1 1 1 17 15 2  o 20.246  0.5651 150.788   8.3855  140.444   10.986   165.224   12.979   19.507  0.7684 21.144  0.8375 -1.637115      1.136553  
1 1 1 17 15 3  o 28.216  0.6351 293.190   13.134  312.556   17.733   269.657   19.548   29.082  0.8319 26.967  0.9890 2.115671       1.292352  
1 1 1 17 15 4  o 5.1270  0.9586 10.049    3.4697  8.3764    4.8389   11.819    4.9780   4.6736  1.3420 5.5190  1.2585 -0.8454018     1.839780  
1 1 1 17 15 5  o 8.5158  0.6367 26.859    3.9451  25.549    5.4465   28.305    5.7220   8.2571  0.9153 8.6970  0.9112 -0.4399204     1.291535  
1 1 1 17 15 6  o 23.856  0.6135 209.585   10.727  208.517   14.559   210.854   15.865   23.746  0.8365 23.860  0.9072 -0.1139526     1.233945  
1 1 1 17 15 7  o 26.517  0.6164 258.974   11.980  270.264   17.708   249.448   16.267   27.016  0.8943 25.966  0.8547 1.049631       1.237063  
1 1 1 17 15 8  o 5.8139  0.9615 12.856    3.9542  7.0306    5.7712   18.011    5.4288   4.4454  1.4966 6.8713  1.1162 -2.425976      1.867033  
1 1 1 17 15 9  o 21.733  0.5645 173.814   8.9927  167.957   12.703   179.699   12.733   21.317  0.8130 22.056  0.7876 -0.7383366     1.131948  
1 1 1 17 16 0  o 4.5716  1.6731 10.341    5.1726  4.8284    10.053   12.326    6.0323   3.5280  2.1288 5.0069  1.7972 0.000000       0.000000  
1 1 1 17 16 1  o 25.965  0.6033 248.324   11.482  246.423   14.677   251.320   18.434   25.824  0.7754 26.020  0.9666 -0.1960850     1.239159  
1 1 1 17 16 2  o 4.6865  1.0824 8.4988    3.6430  3.7166    4.9750   14.027    5.3492   3.6357  1.3703 6.0151  1.2539 -2.379349      1.857412  
1 1 1 17 16 3  o 24.793  0.5908 226.353   10.735  233.575   14.266   216.923   16.301   25.142  0.7742 24.188  0.9195 0.9535198      1.201956  
1 1 1 17 16 4  o 8.1763  0.6705 24.814    3.9828  21.061    5.4968   28.962    5.7790   7.4584  1.0332 8.7943  0.9097 -1.335880      1.376632  
1 1 1 17 16 5  o 13.345  0.5234 65.513    5.1192  57.840    6.5808   77.272    8.1465   12.498  0.7215 14.442  0.7724 -1.943598      1.056945  
1 1 1 17 16 6  o 9.3675  0.6332 32.481    4.3221  24.941    6.2366   39.447    5.9952   8.1186  1.0745 10.300  0.8004 -2.181008      1.339844  
1 1 1 18 0  0  o 18.113  0.9919 121.457   13.078  146.916   20.807   104.830   16.815   19.841  1.4485 16.722  1.3942 0.000000       0.000000  
1 1 1 18 0  1  o 11.710  0.7035 50.857    5.9883  53.908    8.9019   48.335    8.0932   11.982  1.0312 11.343  0.9908 0.000000       0.000000  
1 1 1 18 0  2  o 21.944  0.7535 177.335   12.087  167.215   16.585   188.799   17.653   21.251  1.0710 22.590  1.0716 0.000000       0.000000  
1 1 1 18 0  3  f 12.149  0.7148 54.717    6.3149  54.319    9.2958   55.058    8.6053   12.016  1.0753 12.125  0.9831 0.000000       0.000000  
1 1 1 18 0  4  o 17.672  0.7114 115.144   9.1803  116.464   13.186   113.902   12.789   17.716  1.0233 17.522  1.0033 0.000000       0.000000  
1 1 1 18 0  5  o 60.349  1.7266 1347.98   76.231  1308.44   104.308  1393.31   111.683  59.176  2.4140 61.028  2.5064 0.000000       0.000000  
1 1 1 18 0  6  o 34.741  1.0446 444.751   26.546  469.246   39.515   424.606   35.836   35.581  1.5215 33.855  1.4502 0.000000       0.000000  
1 1 1 18 0  7  o 40.264  1.1899 597.897   35.047  604.579   69.463   595.615   40.593   40.115  2.3817 40.143  1.3833 0.000000       0.000000  
1 1 1 18 0  8  o 13.411  0.7496 66.624    7.3156  73.924    13.379   63.511    8.7376   13.983  1.3332 13.053  0.9239 0.000000       0.000000  
1 1 1 18 0  9  o 3.4992  1.7141 6.6518    5.2133  8.1317    8.9894   5.9018    6.3994   3.9555  2.1658 3.3669  1.8329 0.000000       0.000000  
1 1 1 18 0  10 o 2.7912  1.5981 3.6729    5.1715  1.5168    8.4931   4.9433    6.5194   2.9511  1.8591 3.1891  1.8069 0.000000       0.000000  
1 1 1 18 0  11 o 26.886  0.8800 266.422   17.300  258.613   32.354   269.549   20.472   26.283  1.6956 27.014  1.0374 0.000000       0.000000  
1 1 1 18 0  12 o 34.148  1.0486 430.235   26.190  461.520   53.831   420.533   29.978   35.021  2.1148 33.720  1.2165 0.000000       0.000000  
1 1 1 18 0  13 x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 18 0  14 o 30.558  1.1064 345.353   24.708  382.181   45.787   330.223   29.348   31.849  1.9789 29.811  1.3494 0.000000       0.000000  
1 1 1 18 0  15 o 18.278  0.7731 123.430   10.316  141.353   20.016   116.947   12.038   19.396  1.4256 17.756  0.9308 0.000000       0.000000  
1 1 1 18 0  16 o 30.091  0.9667 334.324   21.270  359.260   43.054   326.273   24.464   30.869  1.9199 29.685  1.1281 0.000000       0.000000  
1 1 1 18 1  0  o 13.520  0.6790 67.572    6.6905  65.382    9.5140   69.714    9.4105   13.231  0.9940 13.680  0.9490 0.000000       0.000000  
1 1 1 18 1  1  o 20.461  0.5146 153.624   7.7181  167.434   11.512   142.347   10.402   21.347  0.7357 19.683  0.7210 1.663040       1.030148  
1 1 1 18 1  2  o 11.737  0.5118 50.554    4.4027  45.061    6.1040   56.510    6.3564   11.047  0.7584 12.383  0.7032 -1.335487      1.034298  
1 1 1 18 1  3  o 11.884  0.5078 51.821    4.4232  52.151    6.2858   51.498    6.2254   11.892  0.7246 11.817  0.7222 0.7472610E-01  1.023067  
1 1 1 18 1  4  o 18.890  0.5027 130.934   6.9605  127.154   9.6163   135.094   10.088   18.604  0.7052 19.175  0.7178 -0.5712605     1.006238  
1 1 1 18 1  5  o 27.809  0.6192 283.966   12.621  280.303   17.671   287.780   18.033   27.603  0.8734 27.968  0.8797 -0.3649559     1.239669  
1 1 1 18 1  6  o 32.860  0.8102 397.065   19.513  404.897   24.354   383.023   32.612   33.153  1.0022 32.170  1.3831 0.9832001      1.708058  
1 1 1 18 1  7  o 38.399  0.8070 542.223   22.713  578.624   33.854   512.426   30.630   39.593  1.1666 37.270  1.1212 2.323540       1.618037  
1 1 1 18 1  8  o 18.394  0.5203 124.177   7.0142  120.936   9.7101   127.713   10.143   18.140  0.7303 18.640  0.7424 -0.5004234     1.041426  
1 1 1 18 1  9  o 40.244  0.8375 595.938   24.704  621.010   36.214   574.116   33.786   40.995  1.2052 39.426  1.1692 1.568607       1.679140  
1 1 1 18 1  10 o 12.425  0.5382 56.674    4.9010  69.783    7.3502   46.180    6.5763   13.757  0.7315 11.175  0.8084 2.582933       1.090239  
1 1 1 18 1  11 o 13.296  0.5342 64.908    5.2064  60.616    7.0976   69.907    7.6607   12.815  0.7590 13.765  0.7623 -0.9499092     1.075738  
1 1 1 18 1  12 o 17.782  0.5332 116.119   6.9488  120.529   10.103   112.159   9.5727   18.097  0.7617 17.459  0.7481 0.6383533      1.067591  
1 1 1 18 1  13 o 32.646  2.2444 407.960   53.379  0.0000    0.0000   407.960   53.379   ?       ?      32.646  2.2444 0.000000       2.244445  
1 1 1 18 1  14 o 20.253  0.6453 150.872   9.5788  161.411   14.919   143.480   12.495   20.901  0.9738 19.723  0.8643 1.178020       1.302061  
1 1 1 18 1  15 o 15.655  0.5836 90.099    6.6967  93.104    8.8380   86.048    10.262   15.897  0.7585 15.236  0.9233 0.6608953      1.194923  
1 1 1 18 1  16 o 12.727  0.5696 59.540    5.3132  57.422    7.4713   61.707    7.5576   12.451  0.8233 12.912  0.8025 -0.4615002     1.149758  
1 1 1 18 2  0  o 18.865  0.7025 131.124   9.6825  131.581   13.930   130.697   13.468   18.843  1.0153 18.786  0.9843 0.000000       0.000000  
1 1 1 18 2  1  o 5.0124  0.9219 9.5360    3.2620  8.3703    4.5711   10.746    4.6565   4.6879  1.2898 5.2908  1.2249 -0.6029410     1.778802  
1 1 1 18 2  2  o 20.489  0.5166 154.055   7.7588  171.230   11.675   140.470   10.383   21.587  0.7379 19.553  0.7245 2.033855       1.034138  
1 1 1 18 2  3  o 11.444  0.5116 48.060    4.2917  57.906    6.3474   39.768    5.8251   12.536  0.6935 10.373  0.7717 2.162813       1.037498  
1 1 1 18 2  4  f 14.830  0.4816 80.694    5.2354  76.163    7.2392   85.663    7.5806   14.399  0.6859 15.271  0.6773 -0.8721209     0.9639356 
1 1 1 18 2  5  o 5.7934  0.8493 12.606    3.4994  16.311    5.0734   9.2434    4.8331   6.5650  1.0928 4.9160  1.3155 1.649022       1.710140  
1 1 1 18 2  6  o 29.182  0.6441 312.761   13.776  312.693   17.600   312.869   22.134   29.158  0.8235 29.137  1.0364 0.2186584E-01  1.323756  
1 1 1 18 2  7  o 22.272  0.5503 182.085   8.9835  172.628   12.237   193.138   13.230   21.669  0.7705 22.919  0.7876 -1.249508      1.101765  
1 1 1 18 2  8  o 14.335  0.5085 75.418    5.3431  78.511    7.6867   72.525    7.4323   14.616  0.7175 14.029  0.7253 0.5872307      1.020239  
1 1 1 18 2  9  o 24.206  0.5801 215.152   10.292  203.816   14.002   228.471   15.178   23.538  0.8116 24.918  0.8310 -1.380693      1.161622  
1 1 1 18 2  10 o 34.122  0.7378 428.126   18.453  407.758   24.997   452.515   27.354   33.249  1.0257 35.017  1.0658 -1.768261      1.479201  
1 1 1 18 2  11 f 13.280  0.5397 64.756    5.2530  77.969    7.7964   53.770    7.1088   14.542  0.7338 12.060  0.8089 2.481826       1.092173  
1 1 1 18 2  12 o 14.250  0.5439 74.586    5.6808  89.913    8.6523   62.971    7.5316   15.630  0.7552 13.054  0.7909 2.575945       1.093556  
1 1 1 18 2  13 o 17.956  1.1414 119.884   14.944  124.393   18.618   111.718   25.056   18.226  1.4045 17.062  2.0443 1.163692       2.480254  
1 1 1 18 2  14 o 6.8227  0.9473 17.515    4.6094  21.677    7.1562   14.563    6.0260   7.5223  1.3474 6.1354  1.3741 1.386910       1.924515  
1 1 1 18 2  15 o 33.181  0.7346 405.538   17.866  394.348   24.616   417.992   25.970   32.641  1.0289 33.597  1.0546 -0.9559326     1.473365  
1 1 1 18 2  16 o 13.902  0.5561 71.033    5.6665  82.285    8.2524   60.995    7.7943   14.925  0.7569 12.832  0.8332 2.092657       1.125645  
1 1 1 18 3  0  o 30.127  1.0833 334.879   23.851  307.877   27.068   428.672   50.448   28.840  1.2863 33.842  2.0510 0.000000       0.000000  
1 1 1 18 3  1  o 11.546  0.5067 48.922    4.2887  46.511    5.8950   51.633    6.2508   11.228  0.7201 11.832  0.7242 -0.6041183     1.021309  
1 1 1 18 3  2  o 30.457  0.6618 340.708   14.773  336.123   20.798   345.377   20.987   30.218  0.9390 30.632  0.9348 -0.4137897     1.324981  
1 1 1 18 3  3  o 24.907  0.5713 227.722   10.429  237.694   15.241   218.940   14.303   25.424  0.8179 24.402  0.7997 1.021757       1.143837  
1 1 1 18 3  4  o 15.958  0.4956 93.449    5.7965  86.821    7.9341   101.037   8.4891   15.372  0.7042 16.583  0.6984 -1.211179      0.9917924 
1 1 1 18 3  5  o 25.514  0.5865 239.001   10.968  228.398   15.066   250.953   15.997   24.920  0.8248 26.120  0.8356 -1.200262      1.174105  
1 1 1 18 3  6  o 6.7157  0.7424 16.778    3.5931  21.010    4.8517   11.638    5.3472   7.5023  0.9003 5.5005  1.3389 2.001734       1.613443  
1 1 1 18 3  7  f 17.229  0.5140 108.941   6.4906  98.995    8.7515   121.099   9.6764   16.412  0.7275 18.152  0.7273 -1.740015      1.028701  
1 1 1 18 3  8  o 12.669  0.5229 58.917    4.8555  60.946    6.9750   57.009    6.7633   12.854  0.7435 12.431  0.7458 0.4236870      1.053063  
1 1 1 18 3  9  o 7.9426  0.6795 23.352    3.9180  26.548    5.5223   20.113    5.5595   8.4426  0.9066 7.3076  1.0696 1.135054       1.402160  
1 1 1 18 3  10 o 17.812  0.5208 116.470   6.7987  120.389   9.7193   112.715   9.5135   18.094  0.7329 17.507  0.7414 0.5868931      1.042484  
1 1 1 18 3  11 o 15.066  0.5287 83.344    5.8384  75.116    7.9554   92.948    8.5951   14.268  0.7635 15.896  0.7377 -1.627932      1.061674  
1 1 1 18 3  12 o 6.8494  0.9794 17.663    4.7769  15.948    8.3951   18.484    5.8089   6.4157  1.7409 6.9717  1.1788 -0.5559669     2.102441  
1 1 1 18 3  13 o 14.181  0.8924 74.480    9.2287  74.841    10.120   72.696    22.493   14.201  0.9782 13.608  2.3395 0.5923080      2.535736  
1 1 1 18 3  14 o 19.739  0.6949 143.413   10.053  151.761   13.721   133.736   14.772   20.272  0.9234 18.977  1.0663 1.294945       1.410607  
1 1 1 18 3  15 o 16.286  0.5482 97.484    6.5436  95.416    9.1462   99.653    9.3657   16.089  0.7756 16.442  0.7771 -0.3531418     1.097940  
1 1 1 18 3  16 o 20.177  0.5660 149.659   8.3708  135.109   11.264   167.604   12.510   19.142  0.8028 21.320  0.8005 -2.178337      1.133750  
1 1 1 18 4  0  o 45.525  1.3261 764.903   44.164  877.821   70.294   691.262   56.767   48.578  1.9817 43.140  1.8025 0.000000       0.000000  
1 1 1 18 4  1  o 48.298  0.9885 859.209   34.992  961.123   54.385   787.213   45.710   50.933  1.4568 46.130  1.3519 4.803101       1.987446  
1 1 1 18 4  2  o 22.500  0.5424 185.822   8.9448  185.714   12.575   185.933   12.726   22.477  0.7633 22.490  0.7720 -0.1251030E-01 1.085642  
1 1 1 18 4  3  o 34.800  0.7901 445.275   20.153  411.341   28.962   477.133   28.062   33.380  1.1838 35.975  1.0642 -2.595730      1.591792  
1 1 1 18 4  4  o 6.1316  0.7881 14.050    3.4600  16.940    5.0338   11.461    4.7637   6.6981  1.0607 5.4646  1.2202 1.233492       1.616746  
1 1 1 18 4  5  o 12.947  0.4963 61.515    4.7099  65.348    6.8003   57.981    6.5296   13.318  0.6991 12.541  0.7133 0.7767801      0.9987698 
1 1 1 18 4  6  o 11.051  0.5623 44.949    4.5394  46.870    5.6179   41.336    7.7049   11.274  0.6831 10.544  1.0093 0.7304449      1.218749  
1 1 1 18 4  7  o 15.178  0.5025 84.543    5.5900  79.832    7.7880   89.550    8.0282   14.738  0.7210 15.610  0.7017 -0.8724442     1.006056  
1 1 1 18 4  8  o 30.878  0.6788 350.366   15.363  344.090   21.445   356.983   22.018   30.559  0.9574 31.124  0.9652 -0.5658627     1.359490  
1 1 1 18 4  9  o 10.045  0.5904 37.184    4.3276  34.505    6.0756   39.942    6.1658   9.6420  0.8690 10.386  0.8165 -0.7444897     1.192423  
1 1 1 18 4  10 o 20.691  0.5526 157.218   8.3810  161.122   11.992   153.490   11.717   20.926  0.7819 20.424  0.7827 0.5016861      1.106362  
1 1 1 18 4  11 o 15.504  0.5255 88.268    5.9713  90.244    8.4272   86.275    8.4623   15.661  0.7341 15.311  0.7540 0.3499565      1.052399  
1 1 1 18 4  12 o 42.195  1.1280 659.150   34.885  669.937   55.999   652.309   44.595   42.203  1.8103 41.835  1.4543 0.3680153      2.322154  
1 1 1 18 4  13 o 27.874  1.0309 287.388   21.062  287.388   21.062   0.0000    0.0000   27.874  1.0309 ?       ?      0.000000       1.030904  
1 1 1 18 4  14 o 7.9061  1.0478 23.533    5.9224  25.095    7.5493   21.034    9.5501   8.1113  1.3148 7.3254  1.7932 0.7859244      2.223544  
1 1 1 18 4  15 o 11.995  0.6052 53.053    5.3041  50.102    7.0147   56.992    8.1051   11.625  0.8287 12.390  0.8986 -0.7653599     1.222410  
1 1 1 18 4  16 o 12.592  0.5746 58.295    5.3032  53.765    7.3031   63.348    7.7136   12.044  0.8324 13.082  0.8084 -1.037802      1.160374  
1 1 1 18 5  0  o 5.8216  1.3219 14.223    4.9174  21.222    7.4380   8.7892    6.5540   7.0858  1.6467 4.0233  1.9288 0.000000       0.000000  
1 1 1 18 5  1  o 56.603  1.1389 1182.35   47.250  1135.53   64.316   1237.25   69.644   55.290  1.5870 57.684  1.6472 -2.393631      2.287353  
1 1 1 18 5  2  o 27.266  0.6106 272.998   12.202  268.413   16.994   277.877   17.532   27.009  0.8584 27.480  0.8705 -0.4704781     1.222524  
1 1 1 18 5  3  o 27.236  0.6110 272.415   12.198  309.716   19.067   246.571   15.871   29.007  0.8968 25.889  0.8364 3.118052       1.226307  
1 1 1 18 5  4  o 31.389  0.6768 361.995   15.571  368.758   22.429   355.703   21.634   31.640  0.9672 31.078  0.9498 0.5622768      1.355536  
1 1 1 18 5  5  o 18.320  0.5134 123.182   6.8939  125.883   9.0350   119.418   10.666   18.511  0.6659 18.019  0.8076 0.4920177      1.046727  
1 1 1 18 5  6  o 21.387  0.5463 167.921   8.5634  173.074   11.387   161.214   12.991   21.700  0.7160 20.931  0.8468 0.7688808      1.108920  
1 1 1 18 5  7  o 18.097  0.5195 120.210   6.8910  116.000   9.6096   124.667   9.8870   17.762  0.7381 18.414  0.7325 -0.6520901     1.039915  
1 1 1 18 5  8  o 21.841  0.6254 175.250   10.012  175.500   12.463   174.794   16.811   21.842  0.7785 21.764  1.0538 0.7801628E-01  1.310166  
1 1 1 18 5  9  o 13.081  0.6338 62.876    6.0766  63.171    8.6060   62.583    8.5811   13.063  0.9044 13.002  0.9061 0.6158352E-01  1.280211  
1 1 1 18 5  10 f 4.0948  1.2269 6.2744    3.9721  6.3042    5.1986   6.2326    6.1570   4.2421  1.4205 4.3667  1.5425 -0.1246109     2.096945  
1 1 1 18 5  11 o 32.881  0.7229 397.854   17.422  391.030   24.436   404.909   24.846   32.530  1.0248 33.103  1.0240 -0.5724754     1.448760  
1 1 1 18 5  12 o 9.6849  0.9266 34.936    6.4973  66.596    12.175   22.328    7.6829   13.333  1.2608 7.6214  1.4278 5.711738       1.904766  
1 1 1 18 5  13 o 2.3798  1.0874 -2.8130   4.2331  -0.5925   5.4691   -6.1310   6.6854   3.0676  1.3263 2.8277  1.3180 0.2398820      1.869874  
1 1 1 18 5  14 o 14.311  0.7586 75.686    7.9292  82.611    9.9881   63.883    13.040   14.925  0.9174 13.012  1.3887 1.913645       1.664390  
1 1 1 18 5  15 f 10.273  0.6111 38.958    4.5809  31.558    6.3592   46.939    6.6044   9.1893  0.9582 11.253  0.8061 -2.063455      1.252200  
1 1 1 18 6  0  o 21.680  0.7671 173.183   12.156  176.770   17.731   170.003   16.698   21.840  1.1142 21.424  1.0694 0.000000       0.000000  
1 1 1 18 6  1  o 40.419  0.8398 601.080   24.880  579.029   34.113   626.141   36.367   39.596  1.1754 41.167  1.2052 -1.571236      1.683486  
1 1 1 18 6  2  f 14.865  0.5279 81.108    5.7522  81.349    7.6736   80.799    8.6906   14.878  0.7037 14.800  0.8042 0.7830238E-01  1.068564  
1 1 1 18 6  3  o 9.2632  0.7400 31.744    4.9822  26.361    7.7143   35.595    6.5257   8.3443  1.3040 9.7893  0.9203 -1.444956      1.596028  
1 1 1 18 6  4  o 18.419  0.6429 124.621   8.6788  124.735   13.527   124.542   11.314   18.368  1.0086 18.397  0.8391 -0.2934265E-01 1.311994  
1 1 1 18 6  5  o 22.864  0.5938 191.983   9.9509  185.530   11.634   209.574   19.208   22.467  0.7065 23.829  1.0998 -1.361715      1.307140  
1 1 1 18 6  6  o 7.5791  0.6776 21.278    3.7243  24.940    5.0839   17.037    5.4713   8.1864  0.8601 6.6977  1.1563 1.488700       1.441139  
1 1 1 18 6  7  o 6.6600  0.7808 16.540    3.7392  23.994    5.5471   10.332    5.0621   8.0112  0.9640 5.1828  1.3269 2.828338       1.640122  
1 1 1 18 6  8  f 10.573  0.5665 41.171    4.3740  44.343    6.3022   38.223    6.0757   10.949  0.7906 10.157  0.8232 0.7922220      1.141385  
1 1 1 18 6  9  o 5.9592  0.8898 13.371    3.7674  9.6293    5.3155   17.147    5.3403   5.0176  1.3949 6.7220  1.1235 -1.704374      1.791124  
1 1 1 18 6  10 o 20.359  0.5412 152.254   8.0759  147.644   11.206   157.235   11.649   20.026  0.7635 20.666  0.7690 -0.6395054     1.083647  
1 1 1 18 6  11 o 23.021  0.6287 194.865   10.608  181.507   15.637   206.255   14.438   22.168  0.9623 23.654  0.8328 -1.485985      1.272631  
1 1 1 18 6  12 o 19.582  0.7661 141.274   10.996  129.999   18.886   147.057   13.525   18.621  1.3938 19.954  0.9247 -1.333282      1.672701  
1 1 1 18 6  13 o 18.244  0.5878 122.386   7.8604  115.394   10.132   132.956   12.458   17.693  0.7813 18.974  0.8958 -1.281223      1.188624  
1 1 1 18 6  14 o 18.875  0.7991 131.416   11.055  124.534   12.951   149.900   21.224   18.322  0.9678 19.960  1.4609 -1.637289      1.752409  
1 1 1 18 6  15 o 2.2179  1.0263 -3.2634   3.9410  10.393    5.5196   -17.4660  5.6288   5.1890  1.4131 1.8305  0.9215 3.358467       1.686989  
1 1 1 18 7  0  o 14.090  0.6942 73.384    7.1293  72.466    10.403   74.198    9.7901   13.927  1.0321 14.114  0.9564 0.000000       0.000000  
1 1 1 18 7  1  o 19.050  0.5440 133.232   7.5960  126.351   11.284   138.935   10.272   18.530  0.8308 19.441  0.7209 -0.9105968     1.099941  
1 1 1 18 7  2  o 6.6356  0.8728 16.486    4.1421  19.210    6.2477   14.350    5.5328   7.1060  1.2449 6.1163  1.2755 0.9897704      1.782300  
1 1 1 18 7  3  o 27.037  0.7722 268.875   15.302  262.351   19.552   279.188   24.584   26.675  1.0000 27.477  1.2207 -0.8021011     1.577988  
1 1 1 18 7  4  o 25.808  0.6909 244.808   13.069  254.400   18.944   236.097   18.053   26.269  0.9839 25.308  0.9733 0.9609623      1.383930  
1 1 1 18 7  5  o 10.796  0.5516 42.910    4.3502  50.162    5.9807   34.764    6.3391   11.660  0.7031 9.6727  0.9046 1.987277       1.145733  
1 1 1 18 7  6  o 7.8880  0.6677 23.032    3.8243  22.063    5.0880   24.289    5.7982   7.6835  0.9218 8.0534  1.0041 -0.3698826     1.363083  
1 1 1 18 7  7  o 21.292  0.5471 166.477   8.5373  173.094   12.433   160.573   11.744   21.687  0.7821 20.890  0.7670 0.7974110      1.095446  
1 1 1 18 7  8  o 11.754  0.5460 50.743    4.7039  46.467    6.5837   55.203    6.7232   11.205  0.8070 12.225  0.7540 -1.019789      1.104452  
1 1 1 18 7  9  o 31.517  0.6936 365.434   16.022  363.029   22.713   367.815   22.605   31.352  0.9884 31.561  0.9772 -0.2087708     1.389884  
1 1 1 18 7  10 o 19.498  0.5373 139.667   7.6790  126.489   10.262   156.435   11.576   18.533  0.7554 20.609  0.7663 -2.075975      1.076077  
1 1 1 18 7  11 o 17.966  0.6256 118.720   8.2379  125.001   14.821   115.912   9.9096   18.334  1.1082 17.737  0.7622 0.5961170      1.345006  
1 1 1 18 7  12 o 12.355  0.6561 56.330    5.9202  52.188    7.6255   62.616    9.3930   11.856  0.8838 12.972  0.9955 -1.115775      1.331217  
1 1 1 18 7  13 o 26.375  0.6818 256.147   13.180  248.907   17.203   266.436   20.508   25.953  0.9044 26.814  1.0435 -0.8613529     1.380822  
1 1 1 18 7  14 o 22.882  0.8365 193.265   14.029  181.627   15.925   233.596   29.647   22.152  0.9808 24.855  1.6365 -2.703384      1.907926  
1 1 1 18 8  0  o 22.762  0.7745 190.895   12.887  199.846   19.028   183.309   17.516   23.224  1.1238 22.245  1.0801 0.000000       0.000000  
1 1 1 18 8  1  o 26.394  0.6010 255.896   11.627  247.938   16.082   264.612   16.831   25.950  0.8455 26.807  0.8566 -0.8567886     1.203574  
1 1 1 18 8  2  o 34.256  0.7256 431.532   18.218  459.595   27.140   408.516   24.578   35.286  1.0493 33.277  1.0077 2.009361       1.454832  
1 1 1 18 8  3  o 24.587  0.5767 222.033   10.393  229.464   15.035   215.232   14.383   24.967  0.8216 24.181  0.8115 0.7853317      1.154815  
1 1 1 18 8  4  o 29.255  0.6964 314.670   14.933  339.583   18.841   272.574   24.491   30.367  0.8465 27.134  1.2315 3.233246       1.494333  
1 1 1 18 8  5  o 20.571  0.5300 155.390   7.9907  150.840   10.057   163.182   13.161   20.255  0.6774 21.048  0.8531 -0.7927208     1.089294  
1 1 1 18 8  6  o 17.028  0.5109 106.457   6.3758  105.426   8.3164   107.927   9.9302   16.934  0.6700 17.122  0.7912 -0.1888218     1.036837  
1 1 1 18 8  7  o 5.6499  0.9444 12.091    3.7729  6.1232    5.3224   18.118    5.3490   4.2178  1.4372 6.9179  1.0911 -2.700074      1.804420  
1 1 1 18 8  8  o 38.176  0.8551 537.332   23.928  525.866   35.846   546.547   32.135   37.619  1.3000 38.412  1.1414 -0.7930336     1.729952  
1 1 1 18 8  9  o 12.084  0.6341 53.846    5.5964  52.845    9.4283   54.390    6.9539   11.897  1.0934 12.125  0.7867 -0.2270908     1.347044  
1 1 1 18 8  10 o 11.442  0.6521 48.328    5.4462  35.888    7.8662   59.782    7.5479   9.7776  1.1177 12.707  0.8147 -2.929516      1.383111  
1 1 1 18 8  11 f 20.747  0.7835 158.703   11.915  160.561   21.566   157.887   14.295   20.677  1.4318 20.666  0.9438 0.1102638E-01  1.714883  
1 1 1 18 8  12 o 12.685  0.6529 59.382    6.0493  63.419    8.2937   54.794    8.8427   13.075  0.8704 12.124  1.0041 0.9512091      1.328851  
1 1 1 18 8  13 o 31.989  0.7648 377.359   17.931  386.361   24.290   366.578   26.582   32.288  1.0264 31.404  1.1548 0.8839207      1.544995  
1 1 1 18 8  14 o 10.456  0.9231 40.733    7.0017  35.080    8.4588   53.033    12.479   9.6341  1.2256 11.810  1.4736 -2.176043      1.916682  
1 1 1 18 9  0  o 10.272  0.7887 39.433    5.8575  36.891    8.7302   41.515    7.8994   9.7647  1.2809 10.468  1.0541 0.000000       0.000000  
1 1 1 18 9  1  o 21.141  0.5291 164.115   8.1982  169.693   11.890   159.061   11.319   21.475  0.7554 20.792  0.7427 0.6822243      1.059369  
1 1 1 18 9  2  o 26.235  0.5973 252.893   11.485  257.925   16.534   248.202   15.965   26.460  0.8525 25.959  0.8391 0.5013771      1.196192  
1 1 1 18 9  3  o 33.897  0.7243 422.698   17.995  417.152   25.117   428.546   25.793   33.611  1.0195 34.064  1.0331 -0.4525108     1.451439  
1 1 1 18 9  4  o 28.236  0.6339 293.053   13.120  309.741   17.528   271.795   19.783   28.999  0.8247 27.133  0.9948 1.865440       1.292152  
1 1 1 18 9  5  o 20.326  0.5308 151.738   7.9085  160.177   10.609   141.184   11.865   20.867  0.6936 19.575  0.8269 1.291592       1.079312  
1 1 1 18 9  6  o 21.477  0.5434 169.450   8.5545  172.196   11.281   165.733   13.123   21.631  0.7115 21.203  0.8444 0.4278297      1.104184  
1 1 1 18 9  7  o 14.260  0.5177 74.702    5.4108  77.146    7.8651   72.506    7.4554   14.455  0.7449 14.014  0.7283 0.4403009      1.041770  
1 1 1 18 9  8  o 9.2779  0.6404 31.815    4.3283  27.679    6.1830   35.789    6.0612   8.5948  1.0002 9.8132  0.8511 -1.218468      1.313310  
1 1 1 18 9  9  o 23.265  0.5762 198.994   9.8250  216.501   14.812   185.238   13.129   24.224  0.8342 22.413  0.7992 1.810944       1.155285  
1 1 1 18 9  10 o 4.8809  1.1817 9.2042    4.1822  14.152    6.8302   6.2366    5.2899   6.0278  1.5402 4.2272  1.4328 1.800602       2.103639  
1 1 1 18 9  11 o 24.245  0.8266 217.008   14.690  215.836   27.546   217.474   17.365   23.902  1.5813 24.236  0.9775 -0.3344707     1.859012  
1 1 1 18 9  12 o 12.316  0.5622 55.784    5.0755  57.979    7.2496   53.675    7.1082   12.510  0.7948 12.032  0.8107 0.4778109      1.135331  
1 1 1 18 9  13 o 2.4236  1.0938 -2.1354   4.1235  -3.5574   5.3312   -0.0180   6.5055   2.6615  1.2177 3.4209  1.4623 -0.7594268     1.902916  
1 1 1 18 10 0  o 12.049  0.8050 54.047    7.0359  59.923    12.949   51.586    8.3811   12.486  1.4681 11.718  0.9922 0.000000       0.000000  
1 1 1 18 10 1  o 19.687  0.5150 142.341   7.4310  141.751   10.460   142.942   10.559   19.625  0.7272 19.707  0.7310 -0.8186150E-01 1.031085  
1 1 1 18 10 2  f 8.0851  0.6417 24.187    3.7714  26.148    5.5761   22.535    5.1201   8.3674  0.9246 7.7617  0.9178 0.6057577      1.302783  
1 1 1 18 10 3  o 2.2270  0.9965 -1.4664   3.3425  -1.6794   4.7478   -1.2570   4.7066   2.7012  1.1995 2.7443  1.2076 -0.4309630E-01 1.702107  
1 1 1 18 10 4  o 18.334  0.5085 123.466   6.8330  129.514   9.2369   116.156   10.155   18.762  0.6717 17.756  0.7803 1.006096       1.029564  
1 1 1 18 10 5  o 19.242  0.5244 136.035   7.3961  132.690   9.5398   141.075   11.710   18.987  0.6855 19.561  0.8168 -0.5732822     1.066283  
1 1 1 18 10 6  o 23.670  0.5670 205.945   9.8368  210.359   12.896   199.804   15.212   23.897  0.7362 23.262  0.8922 0.6349010      1.156733  
1 1 1 18 10 7  o 10.940  0.5747 44.126    4.5923  49.388    6.8313   39.787    6.2030   11.543  0.8126 10.353  0.8243 1.190569       1.157488  
1 1 1 18 10 8  o 29.683  0.6615 324.359   14.393  346.993   21.604   306.297   19.299   30.625  0.9625 28.786  0.9147 1.838663       1.327772  
1 1 1 18 10 9  o 26.814  0.6295 264.614   12.372  246.229   16.683   287.085   18.443   25.813  0.8817 27.867  0.9030 -2.053843      1.262058  
1 1 1 18 10 10 o 17.711  0.7484 115.684   9.7160  126.228   18.500   111.668   11.417   18.313  1.3886 17.354  0.9007 0.9587154      1.655132  
1 1 1 18 10 11 o 21.174  0.7106 165.248   11.028  160.921   13.811   172.859   18.318   20.858  0.9034 21.522  1.1656 -0.6640110     1.474681  
1 1 1 18 10 12 o 10.254  0.6186 38.840    4.6277  36.556    6.4805   41.217    6.6105   9.9019  0.9028 10.526  0.8644 -0.6241693     1.249946  
1 1 1 18 11 0  o 5.5188  1.3668 13.091    4.7855  15.260    7.6768   11.712    6.1201   5.5456  2.0413 4.8304  1.8377 0.000000       0.000000  
1 1 1 18 11 1  o 14.182  0.4915 73.881    5.1089  87.797    7.6777   62.823    6.8441   15.444  0.6782 13.041  0.7188 2.402946       0.9882678 
1 1 1 18 11 2  o 12.861  0.5006 60.763    4.7188  62.776    6.7320   58.819    6.6164   13.038  0.7071 12.617  0.7184 0.4204178      1.008034  
1 1 1 18 11 3  o 26.963  0.6129 267.421   12.114  248.166   14.577   310.391   21.776   25.948  0.7665 28.953  1.0261 -3.005718      1.280788  
1 1 1 18 11 4  o 14.908  0.5225 81.669    5.7094  87.198    8.1820   76.422    7.9708   15.384  0.7256 14.379  0.7590 1.005178       1.050030  
1 1 1 18 11 5  o 41.987  0.8696 651.122   26.763  661.917   34.561   634.953   42.297   42.227  1.1166 41.209  1.4004 1.018959       1.791062  
1 1 1 18 11 6  o 15.143  0.5156 84.278    5.7226  92.364    7.8215   74.962    8.3950   15.837  0.6738 14.230  0.8082 1.607218       1.052259  
1 1 1 18 11 7  o 13.869  0.5332 70.716    5.4200  80.976    8.1630   62.626    7.2483   14.799  0.7550 13.009  0.7635 1.790623       1.073819  
1 1 1 18 11 8  o 2.8619  1.1461 1.5012    3.6505  5.6579    5.3380   -2.1507   5.0034   4.1059  1.4374 2.7179  1.2175 1.388033       1.883738  
1 1 1 18 11 9  o 19.702  0.6004 142.865   8.6710  143.127   13.633   142.688   11.237   19.658  0.9462 19.661  0.7798 -0.2939224E-02 1.226057  
1 1 1 18 11 10 o 8.0545  1.0368 24.459    5.9785  33.888    10.398   19.802    7.3072   9.3640  1.5706 7.1413  1.4456 2.222693       2.134595  
1 1 1 18 11 11 o 13.707  0.5558 69.106    5.5837  65.881    7.8793   72.359    7.9139   13.332  0.8101 13.981  0.7753 -0.6487398     1.121343  
1 1 1 18 12 0  o 3.7601  1.6554 7.5316    4.7819  5.9381    7.3541   8.6989    6.2943   3.4326  1.9293 3.9893  1.8927 0.000000       0.000000  
1 1 1 18 12 1  o 13.684  0.5089 68.815    5.1042  58.857    6.9160   80.726    7.5642   12.612  0.7516 14.802  0.6972 -2.190366      1.025160  
1 1 1 18 12 2  o 7.3846  0.6819 20.256    3.6490  16.286    4.9060   25.172    5.4590   6.5456  1.0587 8.1984  0.9246 -1.652728      1.405628  
1 1 1 18 12 3  o 11.594  0.5245 49.413    4.4567  52.249    6.0239   45.983    6.6242   11.888  0.6943 11.130  0.8177 0.7577753      1.072723  
1 1 1 18 12 4  f 13.890  0.5122 70.919    5.2146  70.885    7.0466   70.959    7.7529   13.870  0.6932 13.848  0.7668 0.2202034E-01  1.033694  
1 1 1 18 12 5  o 13.975  0.5102 71.792    5.2266  76.794    7.0814   65.807    7.7463   14.438  0.6692 13.328  0.7966 1.110395       1.040366  
1 1 1 18 12 6  o 32.424  0.7116 387.616   16.912  371.746   20.872   417.953   28.858   31.696  0.8984 33.495  1.1754 -1.798401      1.479467  
1 1 1 18 12 7  o 11.001  0.5714 44.646    4.5916  43.970    6.7274   45.235    6.2823   10.873  0.8510 11.042  0.7813 -0.1687851     1.155236  
1 1 1 18 12 8  o 7.7310  0.7225 22.234    4.0469  20.559    5.9567   23.669    5.5150   7.3481  1.1431 7.9338  0.9685 -0.5857015     1.498240  
1 1 1 18 12 9  o 15.351  0.6445 86.803    7.2520  90.974    15.086   85.550    8.2702   15.533  1.3382 15.228  0.7410 0.3051424      1.529639  
1 1 1 18 13 0  o 29.018  0.9165 311.126   19.449  288.949   26.231   338.207   28.987   27.848  1.2914 30.132  1.3182 0.000000       0.000000  
1 1 1 18 13 1  o 27.511  0.6690 278.918   13.491  291.910   21.562   270.560   17.294   28.031  1.0495 27.043  0.8725 0.9880009      1.364778  
1 1 1 18 13 2  o 32.186  0.6993 381.980   16.497  374.197   20.722   395.452   27.262   31.797  0.8891 32.584  1.1415 -0.7871323     1.446911  
1 1 1 18 13 3  o 7.9282  0.6688 23.328    3.8502  28.752    5.4488   17.920    5.4413   8.7759  0.8581 6.8533  1.1221 1.922636       1.412575  
1 1 1 18 13 4  o 19.178  0.5238 135.269   7.3627  135.637   9.6233   134.749   11.434   19.180  0.6845 19.093  0.8171 0.8712769E-01  1.065899  
1 1 1 18 13 5  o 7.3585  0.7284 20.172    3.8768  19.040    5.3901   21.385    5.5801   7.0792  1.0724 7.5181  1.0405 -0.4389529     1.494229  
1 1 1 18 13 6  o 7.8709  0.6896 23.015    3.9380  21.254    5.3919   25.029    5.7653   7.5023  1.0059 8.1562  0.9843 -0.6539574     1.407341  
1 1 1 18 13 7  o 3.7541  1.1916 5.1789    3.6829  0.7121    5.3466   9.2120    5.0804   3.2092  1.3465 4.8846  1.3658 -1.675427      1.917951  
1 1 1 18 14 0  o 6.6388  1.1912 17.758    5.2413  15.021    7.9865   19.828    6.9464   5.4178  2.1092 6.8193  1.5993 0.000000       0.000000  
1 1 1 18 14 1  o 10.530  0.5655 40.926    4.3481  45.126    5.8526   35.751    6.4958   11.033  0.7278 9.7796  0.9169 1.253745       1.170650  
1 1 1 18 14 2  o 27.556  0.6260 279.772   12.644  279.394   16.187   280.364   20.250   27.491  0.8033 27.471  1.0057 0.2008629E-01  1.287166  
1 1 1 18 14 3  o 12.109  0.5370 53.941    4.7663  48.499    6.2337   61.601    7.3954   11.437  0.7478 12.888  0.7867 -1.450912      1.085353  
1 1 1 18 14 4  o 9.2232  0.6221 31.479    4.1809  40.235    5.9315   22.831    5.8942   10.406  0.7834 7.7653  1.0635 2.641015       1.320915  
1 1 1 18 14 5  o 24.583  0.6244 222.644   11.251  215.810   14.895   231.722   17.169   24.152  0.8414 24.998  0.9371 -0.8462276     1.259397  
1 1 1 19 0  1  o 2.1859  1.3752 0.8405    4.6297  -2.0210   7.0746   2.9837    6.1227   2.3290  1.5484 2.7935  1.6735 0.000000       0.000000  
1 1 1 19 0  2  o 23.237  0.7928 198.988   13.466  190.490   18.790   207.964   19.310   22.665  1.1376 23.694  1.1176 0.000000       0.000000  
1 1 1 19 0  3  o 8.2139  0.9025 25.674    5.2664  34.122    8.1753   19.682    6.8854   9.3860  1.2504 6.8221  1.5830 0.000000       0.000000  
1 1 1 19 0  4  o 2.4336  1.4704 2.1026    4.8088  3.8858    7.2015   0.6677    6.4601   3.0840  1.8307 2.5117  1.5983 0.000000       0.000000  
1 1 1 19 0  5  o 3.0938  1.6211 5.1367    4.8426  4.9978    7.2944   5.2462    6.4755   3.2753  1.8880 3.2383  1.8143 0.000000       0.000000  
1 1 1 19 0  6  o 4.0350  1.7405 8.5858    5.2924  -2.1906   9.0098   14.263    6.5395   2.6560  1.7597 5.4838  1.8265 0.000000       0.000000  
1 1 1 19 0  7  o 25.855  0.8690 246.560   16.425  294.929   35.915   233.767   18.470   28.029  1.7642 25.144  1.0058 0.000000       0.000000  
1 1 1 19 0  8  f 22.032  2.0028 185.227   31.728  0.0000    0.0000   185.227   31.728   22.032  2.0028 22.032  2.0028 0.000000       0.000000  
1 1 1 19 0  9  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 19 0  10 o 3.5257  1.7332 6.7933    5.3382  2.0962    8.6094   9.7269    6.8039   3.0254  1.8913 4.2280  1.9718 0.000000       0.000000  
1 1 1 19 0  11 o 1.5714  1.1340 -12.2620  6.6566  0.0000    0.0000   -12.2620  6.6566   1.5714  1.1340 1.5714  1.1340 0.000000       0.000000  
1 1 1 19 0  12 o 5.7906  1.5226 14.679    5.5837  8.0693    8.9462   18.896    7.1465   3.9200  2.1554 6.5679  1.7181 0.000000       0.000000  
1 1 1 19 0  13 o 20.698  0.8059 158.238   12.183  153.616   21.633   160.386   14.744   20.202  1.4792 20.802  0.9719 0.000000       0.000000  
1 1 1 19 1  0  o 14.358  0.6937 76.203    7.2616  72.481    10.324   79.848    10.216   13.928  1.0240 14.645  0.9613 0.000000       0.000000  
1 1 1 19 1  1  o 25.534  0.6296 239.570   11.784  248.505   16.212   229.563   17.157   25.977  0.8515 24.954  0.9380 1.022541       1.266848  
1 1 1 19 1  2  o 18.271  0.5055 122.560   6.7691  105.456   8.8244   147.013   10.552   16.934  0.7109 19.993  0.7200 -3.059200      1.011869  
1 1 1 19 1  3  o 20.874  0.5283 159.987   8.0833  153.581   11.078   167.279   11.821   20.433  0.7397 21.323  0.7564 -0.8899078     1.057954  
1 1 1 19 1  4  o 20.566  0.5274 155.308   7.9507  150.921   11.091   159.946   11.404   20.253  0.7471 20.850  0.7462 -0.5969238     1.055924  
1 1 1 19 1  5  o 22.234  0.5517 181.566   8.9904  172.155   12.316   192.301   13.154   21.626  0.7770 22.855  0.7852 -1.229311      1.104652  
1 1 1 19 1  6  o 8.8684  0.6150 29.045    3.9731  33.434    5.2821   23.326    6.0294   9.4995  0.7651 7.8724  1.0729 1.627140       1.317737  
1 1 1 19 1  7  o 14.679  0.5736 79.186    6.1719  92.530    10.205   71.490    7.7499   15.815  0.8839 13.913  0.7629 1.901814       1.167620  
1 1 1 19 1  8  o 17.985  1.1610 120.414   15.223  134.277   20.186   102.135   23.179   18.911  1.4678 16.312  1.9793 2.599716       2.464114  
1 1 1 19 1  9  o 18.686  1.0625 129.702   14.493  129.702   14.493   0.0000    0.0000   18.686  1.0625 ?       ?      0.000000       1.062535  
1 1 1 19 1  10 o 24.377  0.5929 218.528   10.594  208.169   14.496   230.403   15.520   23.753  0.8326 24.987  0.8474 -1.233356      1.188002  
1 1 1 19 1  11 o 11.890  0.5753 51.988    5.0142  57.429    7.4690   47.524    6.7653   12.449  0.8232 11.320  0.8210 1.128928       1.162640  
1 1 1 19 1  12 o 18.679  0.5380 128.251   7.3657  131.398   10.481   125.180   10.354   18.878  0.7574 18.425  0.7667 0.4534245      1.077746  
1 1 1 19 1  13 o 16.776  0.5430 103.459   6.6771  102.808   9.4574   104.106   9.4284   16.697  0.7728 16.803  0.7655 -0.1060123     1.087761  
1 1 1 19 2  0  o 14.053  0.6995 73.030    7.1645  80.013    10.837   67.609    9.5490   14.645  1.0210 13.455  0.9802 0.000000       0.000000  
1 1 1 19 2  1  f 8.5822  0.6540 27.228    4.0828  28.715    6.3365   26.173    5.3388   8.7653  1.0044 8.3829  0.8821 0.3823996      1.336785  
1 1 1 19 2  2  o 8.2774  0.6297 25.323    3.7917  27.380    5.4771   23.430    5.2544   8.5756  0.8841 7.9198  0.9225 0.6558557      1.277687  
1 1 1 19 2  3  o 9.8711  0.5527 35.897    3.9831  36.240    5.6651   35.563    5.6015   9.8916  0.7879 9.7984  0.7866 0.9325123E-01  1.113326  
1 1 1 19 2  4  o 23.336  0.5548 200.019   9.4896  202.731   13.551   197.409   13.293   23.468  0.7878 23.158  0.7831 0.3094788      1.110850  
1 1 1 19 2  5  o 29.247  0.6485 314.474   13.903  348.929   21.328   289.018   18.333   30.753  0.9462 27.999  0.8933 2.754223       1.301301  
1 1 1 19 2  6  o 25.708  0.5958 242.899   11.226  239.851   14.233   247.917   18.260   25.524  0.7608 25.914  0.9614 -0.3901787     1.226005  
1 1 1 19 2  7  o 10.423  0.6840 40.138    5.1961  35.262    9.1734   42.441    6.3050   9.6502  1.3325 10.702  0.8098 -1.051526      1.559245  
1 1 1 19 2  8  f 33.815  1.4922 427.332   36.986  435.453   51.515   418.692   53.134   33.764  2.0919 33.030  2.2075 0.7340889      3.041207  
1 1 1 19 2  9  o 19.780  1.0536 145.276   15.220  145.276   15.220   0.0000    0.0000   19.780  1.0536 ?       ?      0.000000       1.053620  
1 1 1 19 2  10 o 16.701  0.5536 102.524   6.7762  91.731    8.7802   118.422   10.656   15.776  0.7593 17.918  0.8114 -2.141721      1.111253  
1 1 1 19 2  11 o 12.298  0.6007 55.629    5.4141  56.731    7.1177   54.116    8.3402   12.378  0.7887 12.059  0.9513 0.3185482      1.235710  
1 1 1 19 2  12 o 20.804  0.5594 159.140   8.5301  153.554   11.769   165.323   12.381   20.403  0.7870 21.168  0.7980 -0.7655220     1.120776  
1 1 1 19 2  13 f 22.459  0.5816 185.519   9.5740  175.553   13.003   197.318   14.148   21.811  0.8134 23.119  0.8349 -1.308323      1.165637  
1 1 1 19 3  0  o 8.9308  0.8627 30.114    5.5260  36.182    8.4557   25.590    7.3008   9.6787  1.2492 8.0109  1.3615 0.000000       0.000000  
1 1 1 19 3  1  o 30.993  0.6744 353.154   15.321  369.657   22.450   338.767   20.961   31.655  0.9676 30.309  0.9435 1.346603       1.351476  
1 1 1 19 3  2  o 29.916  0.7044 329.149   15.447  304.759   19.133   374.800   26.176   28.753  0.9079 31.838  1.1217 -3.084538      1.443083  
1 1 1 19 3  3  o 12.552  0.5022 57.845    4.6203  61.059    6.6462   54.840    6.4274   12.865  0.7075 12.189  0.7227 0.6765327      1.011367  
1 1 1 19 3  4  o 20.695  0.5308 157.295   8.0515  161.348   11.651   153.591   11.139   20.937  0.7592 20.430  0.7439 0.5077114      1.062923  
1 1 1 19 3  5  o 31.276  0.6774 359.778   15.529  358.316   21.905   361.255   22.019   31.156  0.9592 31.284  0.9603 -0.1272411     1.357282  
1 1 1 19 3  6  f 11.327  0.5909 47.284    4.8889  45.234    5.9967   51.346    8.4426   11.060  0.7441 11.748  0.9897 -0.6885395     1.238164  
1 1 1 19 3  7  o 14.884  0.6187 81.455    6.7498  91.527    12.750   77.533    7.9561   15.680  1.1167 14.490  0.7517 1.189805       1.346109  
1 1 1 19 3  8  f 18.632  1.1188 129.133   15.208  121.645   18.689   143.811   26.167   17.998  1.4285 19.423  1.8608 -1.425140      2.345881  
1 1 1 19 3  9  f 22.402  0.8118 185.094   13.330  185.120   15.825   185.028   24.736   22.375  0.9649 22.171  1.5316 0.2040634      1.810229  
1 1 1 19 3  10 o 8.7015  0.6855 28.050    4.3364  22.096    5.8133   35.519    6.5108   7.6503  1.0657 9.7610  0.9209 -2.110699      1.408469  
1 1 1 19 3  11 o 27.439  0.6363 277.104   12.798  265.263   17.519   290.652   18.740   26.791  0.8921 28.039  0.9118 -1.247576      1.275692  
1 1 1 19 3  12 o 25.652  0.6488 242.248   12.198  257.488   17.135   226.587   17.370   26.396  0.8856 24.744  0.9577 1.651947       1.304466  
1 1 1 19 4  0  o 15.556  0.7083 89.394    8.0374  91.541    11.911   87.600    10.890   15.670  1.0479 15.342  0.9776 0.000000       0.000000  
1 1 1 19 4  1  o 37.001  0.7831 504.016   21.239  507.751   30.045   500.285   30.028   37.055  1.1062 36.780  1.1139 0.2757378      1.569847  
1 1 1 19 4  2  o 5.7432  0.8896 12.441    3.6237  15.479    5.2834   9.7422    4.9795   6.3682  1.1752 5.0332  1.3298 1.335042       1.774710  
1 1 1 19 4  3  o 24.871  0.5788 227.283   10.551  228.951   15.023   225.660   14.821   24.930  0.8221 24.751  0.8170 0.1790276      1.159041  
1 1 1 19 4  4  o 11.097  0.5343 45.229    4.3457  42.200    6.1280   48.293    6.1637   10.676  0.7887 11.431  0.7396 -0.7552567     1.081262  
1 1 1 19 4  5  o 11.490  0.5463 48.500    4.6006  43.616    6.1337   54.780    6.9560   10.855  0.7760 12.170  0.7840 -1.315253      1.103115  
1 1 1 19 4  6  o 16.046  0.5143 94.575    6.0483  89.442    7.7485   102.579   9.6762   15.591  0.6780 16.685  0.7912 -1.093752      1.042011  
1 1 1 19 4  7  o 8.2537  0.9815 25.530    5.8212  16.633    9.9778   30.120    7.1673   6.5656  1.9392 8.9481  1.1172 -2.382501      2.237991  
1 1 1 19 4  8  o 18.717  1.1426 130.454   15.601  144.880   20.613   111.113   23.868   19.639  1.4421 17.008  1.9499 2.631298       2.425190  
1 1 1 19 4  9  o 2.8518  1.2743 -2.2146   5.4458  4.2775    7.0990   -11.4985  8.4893   4.1765  1.6208 2.9192  1.3971 1.257259       2.139843  
1 1 1 19 4  10 o 12.239  0.6018 55.102    5.3982  62.461    7.6430   47.776    7.6254   12.986  0.8069 11.330  0.9263 1.656089       1.228491  
1 1 1 19 4  11 o 30.641  0.6937 345.873   15.580  336.215   21.244   357.110   22.916   30.138  0.9617 31.046  1.0071 -0.9075508     1.392508  
1 1 1 19 4  12 f 13.521  0.6271 67.278    6.2145  63.802    7.6783   73.880    10.581   13.125  0.8020 14.082  1.0324 -0.9564466     1.307273  
1 1 1 19 5  0  o 6.9167  1.1378 18.971    5.2991  23.835    8.2796   15.596    6.8966   7.5060  1.7288 5.7779  1.8474 0.000000       0.000000  
1 1 1 19 5  1  o 30.404  0.6718 339.981   14.971  380.795   23.206   310.879   19.595   32.111  0.9860 29.028  0.9210 3.083046       1.349209  
1 1 1 19 5  2  o 7.6883  0.6824 21.913    3.8053  24.515    5.5236   19.563    5.2499   8.0954  0.9489 7.2060  1.0227 0.8894091      1.395078  
1 1 1 19 5  3  o 13.016  0.5103 62.223    4.8687  70.682    7.2906   55.413    6.5410   13.839  0.7212 12.248  0.7320 1.591597       1.027610  
1 1 1 19 5  4  o 9.2575  0.6069 31.641    4.0954  29.954    5.8296   33.285    5.7547   8.9658  0.8992 9.4653  0.8382 -0.4995136     1.229269  
1 1 1 19 5  5  o 7.7803  0.6949 22.454    3.9213  29.792    5.4494   14.574    5.6470   8.9495  0.8406 6.1487  1.2940 2.800832       1.543021  
1 1 1 19 5  6  o 15.107  0.5573 83.879    6.1707  79.365    8.5478   88.792    8.9173   14.652  0.7990 15.502  0.7874 -0.8500748     1.121767  
1 1 1 19 5  7  x ?       ?      ?         ?       ?         ?        ?         ?        ?       ?      ?       ?      ?              ?         
1 1 1 19 5  8  o 17.037  0.9355 107.621   11.637  108.123   13.314   105.995   23.950   17.046  1.0711 16.567  2.0137 0.4791164      2.280806  
1 1 1 19 5  9  o 17.674  0.7575 115.156   9.8131  118.364   11.980   108.614   17.108   17.870  0.9177 16.993  1.3856 0.8770142      1.661961  
1 1 1 19 5  10 o 19.385  0.6917 138.427   9.8282  154.018   17.074   130.702   12.019   20.323  1.1509 18.807  0.8719 1.515896       1.443898  
1 1 1 19 5  11 o 23.817  0.5934 208.701   10.360  224.054   15.337   195.818   14.049   24.628  0.8496 23.028  0.8324 1.600477       1.189427  
1 1 1 19 5  12 f 24.782  0.6082 225.972   11.047  221.324   15.265   231.083   16.008   24.478  0.8508 25.007  0.8733 -0.5285950     1.219263  
1 1 1 19 6  0  o 9.6752  0.9224 35.354    6.4049  51.944    12.424   29.349    7.4748   11.554  1.5443 8.6638  1.2534 0.000000       0.000000  
1 1 1 19 6  1  o 17.469  0.5871 112.168   7.5174  103.028   8.9625   133.857   13.806   16.728  0.7310 19.005  0.9946 -2.276484      1.234314  
1 1 1 19 6  2  o 23.098  0.7068 196.380   11.965  230.878   20.957   179.696   14.574   24.955  1.1457 22.065  0.9012 2.890978       1.457682  
1 1 1 19 6  3  o 15.337  0.5862 86.469    6.5893  86.727    9.2605   86.206    9.3780   15.314  0.8281 15.266  0.8414 0.4844379E-01  1.180528  
1 1 1 19 6  4  o 34.871  0.7997 448.250   20.439  410.080   24.957   526.005   35.620   33.291  1.0228 37.598  1.2925 -4.306396      1.648255  
1 1 1 19 6  5  o 26.953  0.6185 267.210   12.219  264.454   15.559   271.644   19.737   26.783  0.7926 27.098  0.9937 -0.3156662     1.271096  
1 1 1 19 6  6  o 6.3871  1.0037 15.453    4.5437  29.738    7.5277   7.2655    5.6989   8.8715  1.1875 4.5012  1.4866 4.370247       1.902628  
1 1 1 19 6  7  o 7.5190  1.0290 21.319    5.5220  11.558    9.2843   26.662    6.8691   5.6583  1.8983 8.3990  1.1457 -2.740758      2.217239  
1 1 1 19 6  8  o 16.529  0.7179 100.673   8.6978  103.253   9.5110   87.494    21.498   16.732  0.7755 15.022  2.0023 1.709861       2.147248  
1 1 1 19 6  9  o 13.724  0.7754 69.702    7.7680  69.430    9.4395   70.272    13.672   13.665  0.9483 13.638  1.3871 0.2674580E-01  1.680248  
1 1 1 19 6  10 o 19.058  0.5731 133.601   8.0051  131.146   10.795   136.601   11.933   18.852  0.7812 19.229  0.8466 -0.3766918     1.151978  
1 1 1 19 6  11 o 29.529  0.6784 321.184   14.682  323.301   21.021   319.167   20.515   29.547  0.9706 29.363  0.9532 0.1841431      1.360434  
1 1 1 19 7  0  f 1.9556  1.2891 -0.9484   4.7379  4.9409    7.5239   -4.8184   6.0991   3.2835  1.9066 1.8848  1.3027 0.000000       0.000000  
1 1 1 19 7  1  o 10.928  0.5406 43.885    4.3303  34.234    5.8633   55.466    6.4227   9.5968  0.8421 12.252  0.7184 -2.654946      1.106856  
1 1 1 19 7  2  o 15.041  0.5103 83.111    5.6252  75.301    7.7994   91.578    8.1208   14.277  0.7479 15.771  0.7025 -1.493720      1.026142  
1 1 1 19 7  3  o 8.7125  0.6763 28.109    4.2847  26.712    6.6085   29.122    5.6278   8.4197  1.0969 8.8381  0.8805 -0.4183502     1.406556  
1 1 1 19 7  4  o 32.204  0.8092 382.560   19.100  366.591   22.689   421.397   35.384   31.476  0.9835 33.564  1.4383 -2.088568      1.742383  
1 1 1 19 7  5  o 26.810  0.7882 265.096   15.489  252.210   19.611   286.464   25.254   26.093  1.0254 27.740  1.2421 -1.646435      1.610626  
1 1 1 19 7  6  o 13.114  0.7185 63.552    6.8799  72.059    10.555   57.267    9.0720   13.905  1.0432 12.395  1.0073 1.510273       1.450149  
1 1 1 19 7  7  o 21.479  0.7014 169.980   11.042  179.574   17.538   163.678   14.214   21.995  1.0879 21.037  0.9218 0.9584389      1.425900  
1 1 1 19 7  8  f 14.875  0.6324 81.450    6.8951  90.978    8.7091   65.448    11.287   15.705  0.7566 13.211  1.1780 2.494492       1.400024  
1 1 1 19 7  9  o 19.193  0.7816 135.955   10.996  135.446   13.224   137.096   19.796   19.127  0.9433 19.070  1.4266 0.5719757E-01  1.710275  
1 1 1 19 7  10 o 17.676  0.5724 114.934   7.4164  123.355   10.449   106.385   10.528   18.283  0.7798 16.969  0.8464 1.314541       1.150870  
1 1 1 19 8  0  o 2.2811  1.4093 1.4368    4.6395  9.0012    7.3449   -3.5850   5.9845   4.0445  2.0254 1.9605  1.3381 0.000000       0.000000  
1 1 1 19 8  1  o 3.9177  1.1374 5.8159    3.4589  1.0796    4.8975   10.530    4.8857   3.1498  1.3025 5.2140  1.2864 -2.064242      1.830615  
1 1 1 19 8  2  f 4.4014  1.1023 7.4690    3.5483  7.6746    5.1424   7.2822    4.9023   4.5331  1.4036 4.4199  1.3708 0.1131959      1.961910  
1 1 1 19 8  3  o 8.0573  0.6595 24.060    3.8608  29.385    5.7224   19.610    5.2307   8.8734  0.8919 7.2064  1.0187 1.666914       1.353972  
1 1 1 19 8  4  o 17.949  0.5286 118.421   6.9542  118.225   9.0921   118.698   10.795   17.915  0.6924 17.931  0.8214 -0.1696205E-01 1.074300  
1 1 1 19 8  5  o 20.297  0.6369 151.654   9.4746  164.358   14.779   142.788   12.345   21.071  0.9569 19.659  0.8567 1.411745       1.284402  
1 1 1 19 8  6  o 27.972  0.8965 289.361   18.381  332.520   29.109   260.743   23.704   29.823  1.3317 26.450  1.2227 3.373234       1.807828  
1 1 1 19 8  7  o 18.586  0.6816 127.290   9.2851  130.959   11.751   121.193   15.148   18.824  0.8517 18.010  1.1536 0.8135052      1.433939  
1 1 1 19 8  8  f 32.724  0.9164 396.338   21.980  400.874   28.809   390.020   34.000   32.796  1.1985 32.230  1.4393 0.5658836      1.872903  
1 1 1 19 8  9  o 20.439  0.8054 154.258   12.066  160.748   14.978   142.258   20.367   20.826  0.9812 19.418  1.4413 1.408600       1.743591  
1 1 1 19 9  0  o 13.724  0.7221 69.803    7.2181  79.986    11.134   62.422    9.4799   14.617  1.0518 12.896  1.0175 0.000000       0.000000  
1 1 1 19 9  1  o 11.490  0.5313 48.541    4.4748  50.332    6.4666   46.896    6.1986   11.657  0.7611 11.251  0.7561 0.4058151      1.072772  
1 1 1 19 9  2  o 8.5495  0.6485 27.068    4.0336  25.337    5.9260   28.563    5.5060   8.2084  1.0060 8.7485  0.8702 -0.5400724     1.330171  
1 1 1 19 9  3  o 16.592  0.5425 101.234   6.5980  106.309   10.478   97.899    8.4936   16.962  0.8428 16.297  0.7111 0.6656590      1.102668  
1 1 1 19 9  4  o 25.061  0.6374 231.270   11.708  231.578   15.929   230.909   17.266   25.027  0.8684 24.971  0.9434 0.5594063E-01  1.282191  
1 1 1 19 9  5  o 15.916  0.7168 93.412    8.3621  90.506    11.969   96.183    11.688   15.577  1.0545 16.075  0.9969 -0.4978504     1.451119  
1 1 1 19 9  6  o 13.818  0.6351 70.319    6.4327  74.349    8.5741   65.130    9.7294   14.160  0.8297 13.211  1.0125 0.9489126      1.309011  
1 1 1 19 9  7  o 31.931  0.7553 376.275   17.678  384.336   23.958   366.642   26.191   32.182  1.0157 31.382  1.1386 0.7995930      1.525811  
1 1 1 19 9  8  o 12.383  0.7585 56.789    6.8505  59.251    9.1397   53.633    10.349   12.602  0.9977 11.937  1.1990 0.6643200      1.559762  
1 1 1 19 10 0  o 13.157  0.7254 64.221    6.9465  66.212    10.337   62.581    9.3800   13.265  1.0797 12.913  1.0051 0.000000       0.000000  
1 1 1 19 10 1  o 16.341  0.5024 98.167    6.0178  105.019   8.8843   92.359    8.1802   16.874  0.7183 15.826  0.7052 1.047904       1.006626  
1 1 1 19 10 2  o 22.735  0.5610 190.172   9.3480  178.287   12.817   203.678   13.664   21.969  0.7960 23.482  0.7939 -1.512831      1.124180  
1 1 1 19 10 3  o 7.8338  0.7526 22.855    4.2682  18.559    6.1819   26.769    5.9001   6.9452  1.2608 8.4428  0.9711 -1.497564      1.591460  
1 1 1 19 10 4  o 13.094  0.6497 63.167    6.2353  69.977    10.570   59.532    7.7220   13.681  1.0624 12.662  0.8367 1.019030       1.352322  
1 1 1 19 10 5  o 14.727  0.6980 79.971    7.5347  75.593    10.819   84.093    10.499   14.227  1.0448 15.032  0.9579 -0.8041382     1.417513  
1 1 1 19 10 6  o 13.126  0.5965 63.426    5.7387  67.323    7.1923   56.598    9.5203   13.490  0.7301 12.296  1.0669 1.193585       1.292845  
1 1 1 19 10 7  o 17.107  0.6249 107.773   7.8356  111.634   9.7519   100.741   13.162   17.390  0.7651 16.421  1.0999 0.9686909      1.339854  
1 1 1 19 11 0  o 12.168  0.7368 55.047    6.5165  61.812    9.9571   49.979    8.6185   12.806  1.0784 11.499  1.0422 0.000000       0.000000  
1 1 1 19 11 1  o 9.5557  0.5762 33.731    4.0170  29.812    5.7196   37.546    5.6430   8.9309  0.8854 10.054  0.7717 -1.122729      1.174510  
1 1 1 19 11 2  o 15.998  0.5429 94.160    6.3656  89.182    9.6916   97.937    8.4419   15.502  0.8563 16.294  0.7068 -0.7917290     1.110314  
1 1 1 19 11 3  o 11.930  0.6363 52.582    5.5440  56.005    8.9630   50.461    7.0556   12.242  1.0079 11.653  0.8315 0.5885630      1.306607  
1 1 1 19 11 4  o 11.979  0.7500 53.181    6.5518  53.921    9.9653   52.616    8.6954   11.975  1.1495 11.862  1.0097 0.1126318      1.529955  
1 1 1 20 0  0  f 14.651  1.0384 80.072    11.023  67.516    15.215   93.942    15.991   13.236  1.6354 15.784  1.4080 0.000000       0.000000  
1 1 1 20 0  1  o 17.107  0.7101 108.100   8.8686  106.506   12.879   109.536   12.231   16.901  1.0489 17.161  0.9797 0.000000       0.000000  
1 1 1 20 0  2  o 18.415  0.7386 125.240   9.9332  106.280   13.238   149.667   15.026   16.874  1.0805 20.073  1.0274 0.000000       0.000000  
1 1 1 20 0  3  o 18.200  0.7210 122.308   9.5835  121.439   13.848   123.108   13.276   18.057  1.0545 18.196  1.0024 0.000000       0.000000  
1 1 1 20 0  4  o 30.364  0.9402 340.542   20.878  328.910   28.939   353.167   30.151   29.721  1.3346 30.801  1.3413 0.000000       0.000000  
1 1 1 20 0  5  o 2.4765  1.4868 2.3317    4.8539  11.731    7.5564   -4.2712   6.3333   4.6635  2.0814 1.9752  1.3556 0.000000       0.000000  
1 1 1 20 0  6  o 25.072  0.8500 232.137   15.580  244.341   31.013   228.017   18.019   25.452  1.6792 24.813  0.9944 0.000000       0.000000  
1 1 1 20 0  7  o 12.923  0.7832 62.095    7.3565  76.883    13.957   56.406    8.6566   14.216  1.3686 12.257  0.9778 0.000000       0.000000  
1 1 1 20 0  8  o 23.249  0.8139 199.566   13.830  212.205   27.425   195.255   16.016   23.735  1.5929 22.963  0.9553 0.000000       0.000000  
1 1 1 20 1  0  f 36.958  1.1040 505.237   29.845  488.451   41.162   523.845   43.338   36.171  1.5592 37.454  1.5851 0.000000       0.000000  
1 1 1 20 1  1  o 23.720  0.5684 206.929   9.8818  194.189   13.350   222.371   14.697   22.940  0.7939 24.543  0.8170 -1.603256      1.139239  
1 1 1 20 1  2  o 25.414  0.5901 237.611   10.991  228.543   15.060   247.948   16.079   24.879  0.8259 25.909  0.8467 -1.029726      1.182767  
1 1 1 20 1  3  o 9.9562  0.5737 36.581    4.1691  35.940    5.9418   37.202    5.8512   9.8306  0.8324 10.008  0.8045 -0.1768866     1.157655  
1 1 1 20 1  4  o 16.412  0.4999 98.997    6.0138  90.339    8.1839   109.160   8.8668   15.655  0.7132 17.210  0.7029 -1.555068      1.001367  
1 1 1 20 1  5  o 22.612  0.5550 188.050   9.1990  208.567   13.982   172.392   12.215   23.768  0.8026 21.614  0.7710 2.153141       1.112960  
1 1 1 20 1  6  o 18.131  0.5310 120.878   7.0561  127.332   10.306   115.184   9.6806   18.578  0.7569 17.671  0.7474 0.9069595      1.063746  
1 1 1 20 1  7  o 19.751  0.5486 143.474   7.9416  136.454   10.949   151.267   11.537   19.228  0.7769 20.245  0.7775 -1.016678      1.099093  
1 1 1 20 1  8  o 16.433  0.5295 99.292    6.3782  112.940   9.4822   88.013    8.6197   17.499  0.7393 15.445  0.7614 2.054351       1.061259  
1 1 1 20 2  0  o 10.671  0.7994 42.572    6.1715  34.096    8.9579   50.230    8.5147   9.2975  1.4107 11.541  1.0252 0.000000       0.000000  
1 1 1 20 2  1  o 17.908  0.5082 117.869   6.6713  128.967   9.9033   108.649   9.0267   18.705  0.7223 17.169  0.7173 1.535833       1.017980  
1 1 1 20 2  2  o 18.999  0.5108 132.677   7.1138  130.955   9.9684   134.465   10.155   18.848  0.7216 19.099  0.7254 -0.2502842     1.023184  
1 1 1 20 2  3  o 25.644  0.5971 241.981   11.223  247.819   16.227   236.628   15.539   25.897  0.8549 25.310  0.8376 0.5873699      1.196826  
1 1 1 20 2  4  o 24.656  0.5820 223.655   10.518  221.510   14.610   225.964   15.154   24.492  0.8139 24.732  0.8360 -0.2398872     1.166712  
1 1 1 20 2  5  o 8.1503  0.6564 24.623    3.8879  28.982    5.6687   20.752    5.3424   8.8083  0.8903 7.4151  1.0092 1.393242       1.345738  
1 1 1 20 2  6  o 18.364  0.5525 124.041   7.4366  117.883   9.8147   132.342   11.395   17.876  0.7491 18.928  0.8214 -1.051975      1.111660  
1 1 1 20 2  7  o 10.401  0.5929 39.942    4.5015  41.101    6.4644   38.850    6.2721   10.513  0.8461 10.219  0.8449 0.2936697      1.195753  
1 1 1 20 2  8  o 31.906  0.7026 375.229   16.431  370.397   22.938   380.322   23.548   31.611  0.9900 32.026  1.0032 -0.4158630     1.409427  
1 1 1 20 3  0  o 18.955  0.7350 132.670   10.176  142.090   15.380   125.335   13.572   19.537  1.0816 18.356  1.0158 0.000000       0.000000  
1 1 1 20 3  1  f 24.681  0.5774 224.092   10.444  228.035   14.984   220.367   14.566   24.849  0.8227 24.429  0.8135 0.4193039      1.156977  
1 1 1 20 3  2  o 23.932  0.5742 210.687   10.073  200.671   13.843   221.958   14.684   23.312  0.8101 24.516  0.8172 -1.203691      1.150705  
1 1 1 20 3  3  o 11.684  0.5278 50.189    4.5200  52.539    6.5308   48.029    6.2623   11.911  0.7519 11.386  0.7547 0.5252848      1.065317  
1 1 1 20 3  4  o 6.5720  0.7796 16.161    3.6819  15.984    5.3228   16.323    5.0985   6.4576  1.1676 6.5413  1.1026 -0.8365250E-01 1.605915  
1 1 1 20 3  5  o 12.209  0.5509 54.824    4.9299  63.935    7.0129   45.923    6.9317   13.146  0.7307 11.113  0.8576 2.033269       1.126667  
1 1 1 20 3  6  o 10.373  0.5785 39.710    4.3810  40.054    5.7958   39.253    6.6917   10.390  0.7665 10.262  0.8987 0.1283979      1.181170  
1 1 1 20 3  7  o 14.551  0.5301 77.855    5.6540  84.098    8.1703   72.118    7.8323   15.100  0.7382 13.959  0.7685 1.141278       1.065608  
1 1 1 20 4  0  o 1.8633  1.2584 -2.3182   5.0170  -0.3013   7.7864   -3.7499   6.5602   2.6216  1.7010 2.0646  1.4069 0.000000       0.000000  
1 1 1 20 4  1  f 17.920  0.5129 118.049   6.7365  116.007   9.4348   120.172   9.6216   17.737  0.7257 18.052  0.7272 -0.3153839     1.027365  
1 1 1 20 4  2  o 11.541  0.5288 48.976    4.4729  56.107    6.5212   42.639    6.1468   12.314  0.7257 10.719  0.7879 1.595020       1.071214  
1 1 1 20 4  3  o 23.685  0.5687 206.390   9.8726  207.190   13.983   205.595   13.941   23.685  0.8055 23.594  0.8061 0.9150124E-01  1.139583  
1 1 1 20 4  4  o 15.662  0.5047 90.176    5.7940  99.147    8.5312   82.496    7.8937   16.398  0.7098 14.957  0.7200 1.441572       1.011079  
1 1 1 20 4  5  o 19.438  0.5336 138.949   7.6029  128.104   9.3455   160.173   13.074   18.644  0.6839 20.814  0.8570 -2.170090      1.096446  
1 1 1 20 4  6  o 15.184  0.5158 84.759    5.7403  90.133    7.7378   78.182    8.5605   15.640  0.6750 14.527  0.8071 1.112561       1.052182  
1 1 1 20 4  7  o 8.8284  0.6757 28.885    4.3392  33.737    6.3014   24.509    5.9840   9.5044  0.9159 8.0626  1.0366 1.441796       1.383257  
1 1 1 20 5  0  o 3.7247  1.7272 7.5342    5.2176  10.012    8.1972   5.8466    6.7649   4.2519  2.1373 3.3642  1.8655 0.000000       0.000000  
1 1 1 20 5  1  o 15.530  0.5143 88.670    5.8543  91.422    8.3888   86.057    8.1737   15.743  0.7270 15.274  0.7301 0.4693623      1.030318  
1 1 1 20 5  2  o 16.110  0.5140 95.422    6.0688  92.090    8.5788   98.759    8.5864   15.799  0.7408 16.364  0.7159 -0.5656652     1.030194  
1 1 1 20 5  3  o 1.7896  0.8672 -5.8484   3.5209  -11.3063  5.1239   -0.9660   4.8462   1.9735  0.9746 2.8209  1.2337 -0.8473712     1.572220  
1 1 1 20 5  4  o 17.378  0.5165 111.039   6.5785  101.283   8.8784   122.917   9.7960   16.570  0.7310 18.254  0.7322 -1.683893      1.034637  
1 1 1 20 5  5  o 14.904  0.5532 81.708    6.0430  88.208    8.4423   74.879    8.6538   15.462  0.7449 14.210  0.8345 1.252048       1.118646  
1 1 1 20 5  6  o 17.502  0.6081 112.767   7.8010  118.859   10.148   103.966   12.198   17.944  0.7715 16.713  1.0003 1.231440       1.263311  
1 1 1 20 6  0  o 6.1145  2.0329 17.862    8.1116  33.031    13.764   9.7897    10.040   8.4173  2.5558 4.2548  2.3023 0.000000       0.000000  
1 1 1 20 6  1  o 26.262  0.8627 255.125   16.606  273.027   34.748   249.827   18.905   26.714  1.7849 25.949  0.9939 0.7649574      2.042992  
1 1 1 20 6  2  o 2.8947  1.1995 0.8638    4.1659  1.8545    5.8198   -0.1772   5.9658   3.5080  1.4317 3.2522  1.3955 0.2557824      1.999342  
1 1 1 20 6  3  o 8.8860  0.6839 29.275    4.4203  28.014    5.8563   30.945    6.7387   8.6465  0.9392 9.0731  1.0316 -0.4266186     1.395115  
1 1 1 20 6  4  f 25.896  0.6425 247.016   12.195  232.180   15.458   271.467   19.845   25.061  0.8415 27.049  1.0009 -1.988686      1.307692  
1 1 1 20 6  5  o 16.999  0.5221 106.262   6.5052  106.692   8.4800   105.648   10.141   17.014  0.6800 16.909  0.8182 0.1049862      1.063907  
1 1 1 20 7  0  o 22.617  0.7886 188.890   13.037  190.522   18.835   187.389   18.064   22.622  1.1425 22.446  1.1041 0.000000       0.000000  
1 1 1 20 7  1  o 9.6592  0.6025 34.482    4.2446  42.200    6.2908   28.031    5.7511   10.656  0.8115 8.6519  0.9211 2.004327       1.227569  
1 1 1 20 7  2  o 28.949  0.6482 308.762   13.754  316.250   19.913   301.930   19.019   29.216  0.9299 28.554  0.9088 0.6621475      1.300212  
1 1 1 20 7  3  f 12.821  0.5286 60.453    4.9675  67.044    7.3466   54.902    6.7425   13.458  0.7477 12.172  0.7595 1.285486       1.065846  
# 
#END OF REFLECTIONS
